#DEFINITION	Reference Metabolome for Marchantia polymorpha
#IDENTTFIER	RefMeta-Marchantia polymorpha.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Marchantia polymorpha
#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 Marchantia polymorpha was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
55.05257	0.1
58.06591	2.3
59.07376	0.7
60.08156	25.2
87.04459	0.3
104.10735	100.0
105.11060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
115.94695	28.4
131.82030	31.3
139.57227	25.5
140.00249	28.3
181.02972	28.4
200.02338	50.7
216.78151	31.6
280.73846	26.7
330.17331	50.8
525.23767	100.0
1026.60815	32.5
1052.81824	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0698
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03931	1.3
56.96547	2.3
60.04512	1.3
60.95826	1.4
65.37804	0.5
65.38146	0.5
72.77166	0.6
75.56129	0.5
77.03908	1.4
79.05489	13.9
84.51650	0.5
87.60900	0.6
88.04827	1.1
91.94550	0.6
95.04960	15.7
100.28439	0.6
103.05464	17.1
105.04581	2.8
105.07027	100.0
105.11060	3.5
118.06525	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	0.8
53.03943	1.5
60.95821	1.4
65.03943	1.0
77.03928	1.1
79.05482	17.6
95.04956	11.7
101.32674	0.8
103.05452	15.1
105.04523	3.0
105.07023	100.0
105.11078	1.4
118.06567	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	107.0492
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03936	1.5
56.34372	1.4
56.90065	1.3
62.75638	1.2
67.44872	1.2
70.30368	1.3
73.37007	1.5
78.98207	1.3
79.05488	6.9
91.05495	1.6
95.04971	10.8
105.04472	1.8
106.06582	2.1
107.04950	100.0
107.07339	2.9
118.06538	1.9
119.29237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
52.59585	1.0
53.03930	1.0
56.97468	0.8
60.60364	0.8
79.05083	1.0
79.05486	6.7
91.05462	2.8
95.04943	11.7
105.04488	2.7
106.53564	1.0
107.04945	100.0
118.06535	1.7
122.57597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01588	0.1
50.88664	0.1
51.02365	0.2
53.03936	1.2
55.01862	0.6
62.01546	0.2
63.02365	0.2
73.78268	0.2
77.03909	1.3
78.31663	0.2
79.05482	6.4
79.85281	0.1
81.03391	0.6
95.04956	12.4
105.04498	2.2
107.04942	100.0
108.05263	0.5
118.06529	2.0
121.62644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03928	1.9
54.54945	0.4
55.01857	0.9
57.20707	0.6
58.67613	0.5
65.39457	0.4
66.12454	0.4
72.78060	0.4
77.03922	1.2
79.05486	6.3
81.03432	0.8
86.13347	0.5
91.05455	0.8
91.71649	0.8
94.23011	0.5
95.04965	12.0
105.04516	2.2
107.04948	100.0
107.08600	1.1
112.95569	0.5
118.06528	2.2
122.74812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03926	2.2
53.36508	0.6
55.01852	0.7
59.52614	0.6
64.55547	0.5
64.95538	0.5
77.03917	1.0
79.05479	5.8
91.05465	1.3
95.04956	12.4
99.52451	0.6
105.04489	2.3
105.07069	0.7
107.04946	100.0
107.08602	1.0
118.06536	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	1070.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
75.85606	1.3
77.92286	1.4
83.43671	1.5
84.04490	8.7
86.09688	13.5
87.05591	2.7
88.03986	13.2
96.04420	2.0
98.02410	1.6
102.05535	8.1
115.08678	2.1
116.07091	8.5
116.57256	1.6
124.03936	2.6
125.07087	1.5
127.08667	16.1
133.06068	12.1
141.06583	4.9
141.10208	2.8
155.08130	29.8
156.10249	3.0
159.07651	4.5
169.13341	13.5
171.00522	1.8
172.77994	2.2
181.06107	3.1
185.09209	5.2
187.07138	6.1
196.06093	6.7
197.12871	3.5
199.07126	2.1
201.12328	19.7
211.10664	2.6
213.05016	1.9
213.08760	5.3
220.14075	1.5
227.06497	2.2
229.11949	3.1
230.07797	2.3
231.06281	2.8
234.54996	1.6
248.08801	4.6
256.12970	3.3
257.38834	1.7
284.12436	7.6
302.09921	3.3
311.16760	1.9
312.15637	2.7
344.14325	3.0
354.16528	2.8
399.15057	12.7
441.19736	2.2
459.75580	2.0
485.72836	1.6
513.19379	2.1
514.17712	5.7
531.20392	100.0
532.20587	4.0
540.26324	4.8
620.99487	2.0
727.32141	7.9
756.15533	2.3
823.37396	2.1
842.34332	2.8
1072.61719	2.1
1088.79736	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6357
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	44.6
79.66782	5.3
81.07045	84.0
83.08604	10.0
85.02431	6.9
85.02898	100.0
91.03427	6.8
91.03952	67.3
91.05476	36.9
93.07030	77.7
95.04963	15.3
95.08596	60.9
97.02886	52.1
97.06498	7.7
97.90929	4.7
99.04436	5.7
105.06995	32.2
107.08574	40.0
109.10149	30.7
117.07008	14.7
119.08595	22.7
121.10116	35.2
123.11737	10.4
127.03886	28.6
129.07011	4.5
130.18350	4.9
131.08563	15.0
133.10124	21.6
135.11682	41.0
142.76389	4.6
145.04964	44.0
145.10127	17.9
147.11655	14.5
149.13283	18.4
153.20535	6.5
157.10141	5.5
159.11739	12.2
161.13257	11.8
163.06003	57.7
165.42615	5.0
173.13304	8.4
204.08749	9.0
213.16373	10.5
215.17969	15.6
231.17567	8.6
233.19058	10.7
243.21321	6.4
259.20599	10.7
261.22214	8.2
296.15924	5.8
307.22638	44.9
309.24121	8.3
335.25745	58.7
363.49121	5.9
410.95184	5.9
493.41122	6.1
567.43640	16.7
585.45288	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6363
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05480	55.2
81.07049	91.6
83.08613	13.6
84.57520	7.9
85.02889	96.6
85.09563	8.4
91.03956	49.9
91.05482	62.6
93.07038	100.0
95.04980	13.4
95.08595	69.2
97.02894	60.2
105.07026	40.5
107.08586	40.4
109.10144	33.6
119.08567	32.1
121.10127	38.9
123.11758	10.4
127.03922	28.2
131.08589	24.5
132.15036	9.5
133.10123	31.0
135.11684	29.2
145.04950	39.2
145.10121	27.0
147.11662	22.3
149.13284	20.2
152.51434	9.5
157.10081	11.9
159.11644	16.8
161.13268	13.6
163.05965	49.8
171.11673	10.2
173.13210	14.0
195.31573	9.8
215.17990	22.3
230.56453	10.6
233.19040	16.0
307.22665	54.1
335.25714	46.4
344.21024	9.3
567.43677	25.5
585.44849	46.5
723.91766	11.9
755.08832	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	1093.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02905	8.7
91.03988	4.1
97.02919	13.4
101.02380	4.1
127.04022	3.0
184.31895	3.3
186.86526	3.2
224.40326	3.2
347.09558	5.1
405.13940	4.8
509.15195	8.6
525.14124	4.6
567.18866	7.1
681.35345	4.4
750.02740	4.8
761.32751	4.6
815.37079	8.9
1093.59106	100.0
1094.59229	10.2
1113.70959	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	1093.5917
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02928	11.0
91.03975	3.8
93.07075	6.7
97.02911	14.3
101.02386	4.0
109.90836	3.7
122.31903	3.5
125.80504	3.2
128.63023	3.4
146.62189	3.3
167.15916	3.8
218.16306	3.7
239.82028	3.4
275.17407	3.4
305.34921	4.9
347.09647	10.7
404.74634	4.1
482.18442	4.8
509.14688	6.9
562.82910	4.0
815.36426	9.5
1093.59009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0917
Annotation	DMPO
Peak:m/z	Relative Intensity
53.00282	0.5
55.01859	0.9
55.05498	0.8
56.96553	0.5
59.04983	0.6
67.05488	0.9
68.05023	3.0
69.03403	0.9
69.07067	5.6
69.38640	0.3
71.02972	0.4
71.04971	0.6
71.08614	0.7
72.04491	1.5
72.08131	0.7
72.93770	1.3
76.35699	0.3
76.78199	0.3
79.05489	10.1
82.01476	0.5
82.53767	0.9
86.06048	1.6
86.09700	1.2
87.04446	1.0
90.94786	0.3
94.04544	1.3
95.05000	0.4
96.08125	7.3
97.02868	0.4
97.06549	2.3
100.02470	0.6
107.16461	0.4
113.96405	1.1
114.02658	0.4
114.05547	4.0
114.09165	100.0
115.03928	1.8
115.09504	0.4
118.03537	0.4
123.04057	0.7
125.25975	0.3
129.88583	0.4
133.25003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
114.46963	19.2
129.70378	17.9
134.06032	58.9
146.06006	33.9
154.39723	20.0
162.05513	28.3
166.08635	67.4
206.36363	19.5
222.71986	19.8
263.11850	43.5
291.11264	33.5
295.10733	61.7
297.12344	42.4
323.10385	23.3
337.11832	77.7
462.20099	30.8
488.18097	35.4
520.20374	41.1
645.26239	100.0
645.35229	21.6
677.27997	50.8
905.79645	27.3
1091.90833	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	1157.372
Annotation	Unknow
Peak:m/z	Relative Intensity
106.06530	11.0
122.06035	9.8
130.71947	9.6
132.04523	11.9
134.06007	8.7
146.06020	25.7
152.07077	33.4
160.03909	100.0
162.05518	32.7
166.08636	55.4
172.03925	23.9
178.34476	9.1
190.04936	10.2
204.06592	20.0
237.10251	19.5
239.11789	12.9
249.10278	18.5
253.13344	8.0
263.11865	13.5
265.09894	11.3
265.13348	9.6
267.11307	16.1
279.11389	11.8
293.09421	37.2
293.12482	13.8
297.12283	21.6
309.12399	33.0
311.10574	8.4
319.07144	12.1
321.08771	11.1
330.16193	9.7
337.11746	51.5
356.13806	11.2
369.14645	10.4
393.71909	9.3
428.15829	12.2
430.17657	11.4
440.15955	11.3
458.17233	26.6
468.15475	10.4
486.16425	37.3
504.17371	24.0
518.19031	38.4
536.20349	36.0
540.20148	9.8
643.24225	88.8
657.25037	11.8
661.24908	29.8
675.26495	67.2
693.27350	36.6
835.83789	10.2
900.12811	11.4
1158.53650	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	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
50.73451	0.2
53.85764	0.2
57.23929	0.2
61.11293	0.2
66.96381	0.2
70.06577	100.0
74.02426	0.2
101.82549	0.2
116.07082	14.9
117.99881	0.2
125.09741	0.2
127.30418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03949	0.2
56.05025	0.4
56.43708	0.2
56.96560	5.8
65.37904	0.2
68.05016	0.4
69.03420	0.2
70.02943	0.9
70.06583	100.0
71.01348	0.3
71.04995	1.4
71.06916	0.2
73.02920	0.2
74.02439	0.3
81.03381	0.4
85.02901	1.0
86.91288	0.2
88.07620	5.1
95.39230	0.2
97.99184	0.5
98.02428	0.2
98.06044	1.5
99.00819	1.1
99.02691	0.3
99.04459	0.5
116.03426	0.4
116.07086	18.7
117.49518	0.2
122.48073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.47530	1.1
54.48884	1.0
55.05506	8.0
56.96548	2.3
57.55101	1.0
58.06595	1.1
58.96166	1.5
60.90190	1.2
63.33986	1.1
70.03747	3.1
72.08150	75.9
91.05478	19.2
91.82558	1.6
100.02488	1.4
100.04000	1.3
100.07603	1.5
106.97944	1.3
108.53039	1.3
113.94737	1.4
117.05750	3.1
118.06542	100.0
118.08678	2.8
138.91460	1.3
138.98022	1.2
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
53.03928	9.8
53.81107	2.4
55.05488	7.7
57.05807	2.2
58.06577	8.3
58.06839	2.4
59.07374	4.4
64.79679	2.4
70.31593	2.4
72.08147	98.9
74.66158	2.4
77.03905	5.1
85.94608	2.8
95.04960	68.8
105.04516	15.7
118.06540	100.0
118.08652	33.3
118.12303	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
53.03939	1.7
55.02998	0.4
55.05505	9.6
55.98825	0.4
56.96554	0.7
57.05812	1.4
58.06594	1.2
72.08147	100.0
72.11462	0.6
77.03917	1.1
91.05498	1.0
95.04958	11.6
96.08156	0.9
103.69717	0.5
105.04504	1.5
118.06538	18.5
118.08635	3.9
136.65794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Valine
Peak:m/z	Relative Intensity
51.11054	0.2
53.03924	0.5
55.05504	9.0
56.05024	0.6
56.96541	0.2
57.05812	1.4
59.04987	0.3
59.29238	0.2
70.06590	0.4
72.08144	100.0
73.08475	0.3
74.59052	0.2
75.61083	0.2
77.09438	0.2
82.01417	0.3
91.05446	0.4
93.84336	0.2
96.08131	0.9
101.06036	0.3
101.31699	0.2
109.78342	0.2
114.07413	0.2
118.08622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.79807	1.4
59.00039	1.2
65.03595	2.0
65.03929	27.4
67.55233	1.3
73.08481	2.4
73.90205	1.4
91.05467	100.0
94.74699	1.4
110.34592	1.8
111.13003	1.5
113.95168	1.4
114.45164	1.6
119.04935	14.7
123.52991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0854
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
55.05495	1.9
55.26965	1.7
56.05021	3.3
65.03921	3.4
69.01075	1.8
72.08147	2.1
73.08469	5.9
74.06034	2.1
77.32519	2.0
79.05487	4.2
83.01884	1.8
87.59835	2.0
91.05471	51.9
93.07050	3.9
95.04967	2.9
97.00877	2.0
103.05508	5.1
104.06219	5.4
117.06990	10.8
119.04967	2.3
119.06045	2.7
119.08577	100.0
120.08109	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.58812	1.1
56.05001	1.2
56.96546	2.7
65.03915	2.3
68.66821	1.2
72.08132	3.2
73.08475	13.7
74.06064	2.4
74.26434	1.4
76.44588	1.4
79.05478	5.0
89.87900	1.5
91.05472	56.5
91.06040	3.0
91.71058	1.8
93.07024	2.7
95.04958	1.6
101.12064	1.6
103.05451	5.8
104.06228	5.2
109.71957	1.5
114.58807	1.2
115.05458	3.0
117.07006	12.7
119.04975	1.8
119.06087	2.3
119.08571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	7.4
60.04525	0.9
65.03931	1.0
66.55245	0.8
70.73020	0.8
71.06914	1.0
71.28358	0.8
71.81496	0.9
74.06066	10.9
79.05465	2.2
79.27706	0.8
80.04999	0.9
80.42189	0.9
91.05482	5.0
92.05004	1.1
93.05785	5.1
93.07021	8.2
94.06541	3.4
95.04934	4.8
100.15936	1.1
102.05525	3.0
103.05457	22.7
105.09910	1.1
118.06525	5.2
119.07303	1.6
120.05566	2.5
120.08096	100.0
121.06494	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53083	0.8
54.91205	0.9
55.21360	0.9
56.05009	2.1
72.82246	0.9
74.06067	3.1
79.05457	1.2
91.05474	3.8
91.71469	2.2
93.07035	9.5
95.04934	3.0
103.05463	46.1
104.38654	1.0
114.74053	1.0
118.06554	1.6
120.08099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	11.0
63.05407	1.1
74.06072	17.6
81.13175	1.4
87.38192	1.3
91.05462	6.5
91.71648	2.7
92.04943	1.7
93.05768	3.2
93.07042	9.1
94.06549	3.9
95.04948	2.7
102.05530	3.9
103.05454	21.4
117.29588	1.5
118.06552	4.4
119.95055	1.4
120.08096	100.0
121.06512	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01587	0.8
51.02368	0.7
53.00307	0.6
53.03942	4.6
55.01858	0.9
55.70096	0.4
65.03928	0.9
77.03918	3.6
77.14008	0.5
79.05465	0.6
80.29832	0.6
81.03397	0.8
91.05471	44.7
93.07034	46.0
95.04959	34.0
103.05461	52.4
103.64326	0.5
105.04500	6.1
118.06535	6.3
119.04927	0.7
121.06497	100.0
130.31270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36864	0.7
53.13609	0.7
54.03470	8.3
56.36094	0.6
56.96560	4.9
56.96773	0.8
66.97972	0.7
80.05003	11.1
81.04533	100.0
82.04881	0.8
82.76209	0.9
119.55518	0.9
122.07144	87.7
123.04408	1.9
123.05547	1.5
133.85152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	1.0
51.02362	1.8
51.74790	0.4
52.08964	0.4
53.03928	1.2
53.98121	0.5
54.38093	0.6
55.01849	0.5
55.84475	0.5
65.03944	0.5
67.05495	5.9
77.01619	0.6
77.03917	8.6
80.05003	5.8
95.04954	13.1
96.04482	1.6
97.54036	0.5
97.58459	0.6
102.43353	0.6
105.03377	9.0
105.04503	1.5
107.26339	0.6
118.06538	1.9
123.04422	100.0
123.05515	18.0
123.09165	1.1
124.03927	1.1
124.04756	0.8
124.18513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
50.25089	0.8
50.55019	0.9
53.00298	1.1
53.03919	0.7
53.97878	0.8
55.05485	3.1
56.96540	4.1
56.96782	0.7
57.07071	7.3
61.22735	0.9
65.03913	1.1
67.05497	10.8
69.07041	2.7
72.88691	0.9
79.05493	7.2
81.07047	100.0
93.07023	1.7
93.76186	1.0
95.08600	14.2
100.05333	0.8
110.76749	1.1
111.41718	1.2
119.60081	0.9
123.05539	3.8
123.11695	41.3
137.30879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69910	0.6
53.03925	1.8
55.01839	0.7
55.05257	1.1
55.05502	13.3
56.05022	2.4
56.53206	0.7
56.96555	4.0
58.06604	0.7
64.95532	1.9
68.05029	1.1
69.03416	2.2
70.06592	4.4
75.71492	0.7
77.32458	0.7
79.02668	0.6
79.05463	3.1
79.28921	0.7
80.05013	9.5
81.03017	0.7
81.03411	6.3
81.07048	21.5
82.06557	2.7
83.04948	1.4
83.06894	2.5
83.07359	1.0
83.08609	7.4
84.04510	4.4
84.08111	1.9
91.05474	1.8
92.16956	0.8
93.05774	1.9
96.04475	3.3
97.05267	8.8
98.06045	8.4
98.09691	7.3
99.04452	0.9
108.04487	6.3
108.08108	10.9
109.02856	1.9
109.06512	18.8
111.06801	0.8
111.46198	0.7
116.33774	1.0
126.05495	8.0
126.09145	100.0
127.03901	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	127.0392
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
53.03940	10.0
55.01864	14.5
55.05490	2.7
56.96540	2.4
57.03421	4.8
60.59629	1.7
61.19672	1.7
67.05475	1.8
69.03429	10.7
71.04987	20.2
81.03407	29.6
81.05341	2.3
82.06567	6.3
83.04971	1.8
83.47803	1.8
84.08134	2.5
85.02903	4.9
86.06049	2.1
86.09697	1.8
87.07452	1.9
96.00826	3.1
99.04452	22.8
99.25192	1.7
109.02874	18.8
109.04755	2.2
109.10121	2.2
110.06062	4.1
111.58794	1.7
113.03503	3.0
126.64193	1.8
127.03916	100.0
127.04980	11.6
127.05833	3.3
128.07104	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	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
51.75388	1.1
53.03940	6.6
55.01855	5.2
55.05496	2.3
57.03424	2.5
67.05491	2.7
69.03413	4.1
69.07066	2.9
71.04974	7.6
79.05486	14.9
81.03415	20.3
81.07046	100.0
82.06557	2.9
83.04974	2.4
84.08124	4.1
85.06540	1.5
94.04185	3.3
99.04454	6.9
103.31578	1.3
109.02876	14.6
109.06509	85.1
109.10142	4.3
111.85992	1.5
121.09356	1.5
127.03915	48.8
127.07526	8.5
127.08559	1.8
128.07167	1.4
131.66638	1.3
143.54225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06336	1.8
58.06593	17.2
66.18963	1.2
68.76886	1.4
70.06580	2.8
72.08147	48.2
82.08854	1.2
84.04483	8.0
84.08134	58.0
86.42624	1.4
112.11238	100.0
116.47019	1.3
129.13878	35.5
130.08687	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	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	7.2
58.06596	11.6
59.79677	1.7
65.74201	1.7
67.42029	1.7
69.26250	1.9
69.71915	1.6
70.06559	2.1
70.11960	1.8
70.14588	1.6
71.04994	2.4
72.08137	8.2
81.90530	2.0
83.06094	3.0
84.04494	100.0
84.08133	48.2
85.02902	4.4
112.11237	94.9
129.13869	35.7
130.04997	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	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	7.2
58.06596	11.6
59.79677	1.7
65.74201	1.7
67.42029	1.7
69.26250	1.9
69.71915	1.6
70.06559	2.1
70.11960	1.8
70.14588	1.6
71.04994	2.4
72.08137	8.2
81.90530	2.0
83.06094	3.0
84.04494	100.0
84.08133	48.2
85.02902	4.4
112.11237	94.9
129.13869	35.7
130.04997	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	130.05
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
55.58762	0.7
56.05030	7.1
70.06583	7.3
70.27648	1.0
72.64063	0.8
76.26651	0.8
77.63082	0.8
84.04497	100.0
84.08130	6.5
85.02921	2.8
97.81731	1.0
102.05556	1.8
103.97050	0.9
107.81710	1.1
112.07634	1.1
123.77348	0.9
126.04916	0.9
130.05013	13.8
130.08676	1.4
146.77164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	1723-00-8
Peak:m/z	Relative Intensity
53.00306	0.5
54.21129	0.4
56.05012	1.7
58.70241	0.5
61.61950	0.5
67.05486	0.8
67.64924	0.4
69.03419	28.3
69.07066	3.6
70.06540	0.6
71.04962	0.6
78.31316	0.5
82.06551	1.9
84.04013	1.1
84.04494	16.0
84.08130	15.8
92.59663	0.5
93.23865	0.4
95.04955	0.8
95.31831	0.5
97.56136	0.5
112.07593	100.0
117.28740	0.5
121.36989	0.5
130.04959	1.6
130.08630	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	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	5.5
57.07068	10.9
61.71812	0.7
63.87218	0.6
67.05490	0.9
69.03419	2.7
70.33180	0.7
74.09705	10.5
84.04493	100.0
84.08134	2.8
85.04842	1.1
112.07613	5.3
113.96385	0.9
121.70859	0.7
126.36015	0.7
130.04999	10.7
130.06529	1.3
130.08635	3.0
130.15907	34.4
133.79709	0.7
147.84433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
52.91703	1.5
53.79549	1.6
54.66362	1.8
54.91019	1.6
55.39616	1.6
56.96533	7.1
57.03421	2.5
58.06591	3.8
59.74543	1.7
64.06871	1.8
67.28353	1.6
69.03416	2.3
69.07036	2.9
70.25317	2.1
71.59397	1.7
72.93778	2.8
86.06060	3.9
86.09174	3.3
86.09698	58.9
91.34850	2.5
92.39301	1.9
97.02853	2.2
105.06989	3.8
113.96404	2.8
115.05466	12.2
117.05752	32.7
129.75217	2.3
130.06482	5.1
131.07330	2.4
132.08084	100.0
138.21867	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05009	0.4
58.06593	1.3
60.62732	0.4
62.33003	0.4
67.13399	0.4
69.03451	0.7
69.07059	18.4
73.02908	0.6
73.06544	1.1
74.02427	1.5
76.05529	0.4
76.13445	0.5
79.05481	1.4
86.06041	1.3
86.09698	100.0
91.05467	0.7
95.81012	0.4
96.08148	1.1
97.06516	0.7
104.44869	0.5
114.09148	2.4
116.16541	0.5
132.10220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.00298	0.4
53.25925	0.4
55.45930	0.4
57.05819	0.6
58.06574	0.5
69.07059	9.7
73.06524	0.5
86.09697	100.0
87.10023	0.5
88.72150	0.4
132.10167	1.0
136.71492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
53.00305	2.2
55.01869	4.0
56.96567	4.8
57.03437	1.6
57.17550	1.1
69.03419	100.0
70.02944	2.2
70.07405	2.2
71.01341	22.3
71.01697	1.6
73.02908	40.0
74.02431	42.9
80.05010	1.3
82.38071	1.5
85.02917	1.9
86.09705	11.0
87.00863	4.1
87.04491	2.3
87.05582	17.1
87.09453	3.9
87.10023	53.6
88.04010	5.3
89.02406	6.1
97.02881	79.3
105.07031	1.9
115.03945	3.7
116.03476	1.9
133.05060	1.9
133.06178	2.7
133.07669	5.7
133.10606	2.0
134.06033	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
57.36338	1.1
60.04514	1.4
60.20783	1.1
60.31690	1.0
61.01130	3.8
61.43683	1.0
64.55740	1.1
69.03420	8.4
69.07043	2.2
70.02927	5.3
70.07403	4.4
71.01305	2.4
72.01397	1.1
73.02898	4.4
74.02431	100.0
78.09296	1.1
82.33788	1.1
86.09688	5.7
87.02679	4.4
87.05583	31.8
87.09499	1.2
87.10022	23.4
88.03986	10.2
88.79132	1.4
97.02887	6.9
99.19180	1.3
105.00127	1.9
110.90158	1.2
116.03439	7.9
125.55365	1.2
133.06100	4.2
133.07687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
50.45278	0.4
56.96558	1.2
57.03433	0.7
58.06585	0.4
60.04506	1.0
69.03396	0.9
70.02943	5.9
70.06577	1.2
73.02904	0.6
74.02429	100.0
78.95121	0.6
79.05478	2.4
85.02893	0.5
87.05581	40.1
87.10048	2.5
88.02190	0.6
88.03984	11.0
88.04491	0.9
95.04945	1.5
98.02457	0.8
100.51030	0.7
103.05482	1.7
105.04536	0.5
105.07025	11.8
105.07695	0.9
112.01846	0.7
116.03445	7.3
123.08041	4.8
133.06433	10.3
133.07628	3.3
133.10124	0.6
141.98373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	3.3
58.08417	0.9
67.95747	0.8
70.02944	5.9
70.06571	3.0
74.02428	100.0
74.19805	0.8
77.78039	0.9
80.17285	0.9
87.05579	40.1
88.03983	11.6
99.03668	0.9
102.02214	0.8
112.69537	0.9
116.03432	7.3
116.07087	1.4
116.13949	0.9
119.01878	1.0
123.04089	1.0
124.51505	0.9
133.06079	7.7
135.78250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.13194	3.3
53.68523	3.3
68.67562	4.1
74.02410	12.2
74.81430	3.6
87.05589	3.6
87.10024	5.8
91.05468	100.0
91.71011	9.5
104.06251	13.1
105.07035	27.5
115.56090	3.7
133.07603	13.0
133.10152	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05477	1.9
72.97601	1.6
74.02439	4.6
75.40443	1.7
82.64587	2.4
85.60490	1.9
86.09673	2.2
87.10021	6.5
89.44885	1.8
91.05472	12.2
93.07038	2.4
103.05450	2.5
105.07030	46.0
115.05413	6.6
117.06995	2.5
117.94474	2.0
117.95988	3.3
131.08548	6.3
133.06528	2.2
133.10121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.83771	0.6
53.92669	0.8
54.46033	0.7
59.93089	1.0
65.10651	0.7
69.19684	0.8
74.02422	3.1
79.05470	1.6
86.09678	0.9
87.05592	1.6
87.10028	5.8
91.05474	11.3
93.07022	3.1
95.04933	1.3
103.05441	0.9
105.07023	29.3
112.02195	0.8
115.05435	2.4
117.07005	3.7
117.95953	2.6
118.07779	4.1
121.52570	0.8
123.07995	0.9
131.08562	3.4
133.10124	100.0
135.97054	0.9
141.98349	3.0
143.95653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0714
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
51.60802	0.4
56.96544	1.6
65.03920	1.3
80.04948	0.5
82.51186	0.4
88.07571	0.5
92.04992	4.5
93.05756	1.1
97.38015	0.5
107.06081	0.8
134.07135	100.0
144.60971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03921	9.1
63.09992	6.9
64.58110	4.8
65.03932	7.7
66.13309	4.7
66.28748	5.0
79.05484	80.9
91.71621	6.5
95.04962	39.7
105.04478	7.6
107.04968	46.0
123.91016	6.4
135.04422	100.0
135.05429	10.4
135.08102	5.9
135.09148	5.9
148.45253	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	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
56.96570	7.4
61.05128	4.4
65.11314	4.9
79.05485	58.7
80.32053	4.7
83.88705	5.6
91.05470	11.3
93.07064	5.5
95.04979	36.7
105.04507	6.0
107.04939	44.5
107.08581	9.1
107.21941	5.6
118.06566	9.1
134.11772	5.8
135.04428	100.0
135.05528	11.5
135.08174	10.2
135.09151	10.6
136.02185	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	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
54.60653	1.8
58.24417	2.1
63.74932	1.5
65.03920	2.1
73.58367	1.8
79.05482	6.2
91.05486	21.4
91.71535	4.1
91.91454	1.9
94.06576	2.1
105.07005	5.9
107.08611	9.7
109.06512	2.6
135.08052	100.0
136.02139	3.1
136.06209	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
55.01859	1.2
56.41313	0.9
65.03921	1.4
66.31443	1.0
75.68342	1.1
79.05482	8.6
91.05477	19.7
93.07029	5.0
95.04938	1.5
105.07037	6.8
107.08580	9.5
109.06494	4.4
111.08646	1.2
115.05457	5.8
117.07031	3.8
135.08049	100.0
136.08334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.96007	2.9
55.05502	18.9
66.79725	2.6
67.05489	6.3
68.38567	2.7
69.07060	6.4
69.50162	2.5
74.71828	3.5
79.05495	26.4
81.07024	5.6
91.05470	29.7
91.46091	2.9
93.07037	100.0
93.07633	4.8
95.04958	8.4
105.07018	7.9
105.39278	3.3
107.08580	91.8
109.06487	5.3
116.47609	3.1
122.07425	3.2
123.97598	4.0
130.28023	3.1
135.11685	61.4
136.06194	10.6
152.96205	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05505	16.4
57.44654	3.1
63.87162	2.8
67.05489	23.5
69.07063	8.9
69.88152	3.5
79.05479	59.5
81.07047	20.9
81.71136	2.9
85.51315	3.4
91.05466	19.3
93.06487	6.4
93.07040	96.3
94.04544	4.4
95.04967	9.4
101.42056	3.1
105.07016	7.2
107.07857	5.1
107.08589	98.8
135.04553	4.2
135.05534	16.8
135.06450	4.0
135.08124	3.6
135.09142	5.3
135.11687	100.0
136.02168	8.5
136.06218	17.4
136.07278	3.1
142.63161	3.9
144.19853	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.05494	13.7
67.05492	22.5
69.07070	9.1
79.05479	46.3
81.07036	19.1
91.05469	25.8
93.07036	100.0
94.04540	10.0
95.04947	11.9
107.08591	82.1
108.25726	6.6
123.04079	10.9
135.05533	19.5
135.11693	91.7
136.02107	13.9
136.06165	24.9
137.08810	5.4
138.25844	5.9
139.69623	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.36551	1.3
53.00269	1.7
53.92921	1.5
55.05498	5.6
56.96552	3.5
57.68428	1.5
65.03943	2.7
67.05480	2.4
69.07057	1.7
79.05489	13.9
81.07027	2.3
84.89642	1.5
91.05472	36.1
91.71073	3.1
93.07038	45.3
95.04961	10.5
105.07029	20.5
107.04955	2.9
107.08586	100.0
109.06507	8.2
117.06995	1.9
119.06078	3.4
119.08584	12.9
120.09364	3.0
135.04471	3.2
135.08130	2.3
135.09184	2.1
135.11690	42.2
136.02182	4.7
136.06195	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05500	7.9
59.42484	5.9
64.91783	6.5
79.05505	18.0
91.05463	46.6
93.07028	37.8
95.05000	10.5
105.07047	17.4
106.52728	7.3
107.04970	8.8
107.08593	100.0
109.06543	10.1
119.08593	18.7
135.05545	11.6
135.08128	14.6
135.09210	11.5
135.11678	46.4
136.01237	7.1
136.02228	25.1
136.06165	33.9
136.07684	9.8
154.42546	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
68.81494	0.8
70.50379	0.7
91.05460	1.7
92.02506	1.1
94.04041	2.3
98.13129	0.7
99.01425	0.8
105.07023	1.1
119.03536	6.1
123.20010	0.8
127.30726	0.9
129.98575	0.9
136.02200	4.2
136.06183	100.0
137.04591	4.1
137.05930	1.1
151.20964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
68.01393	1.3
80.05075	1.3
91.71555	1.7
101.01679	1.5
114.28468	1.3
117.38618	1.3
119.03542	5.3
136.06177	100.0
137.04602	6.2
137.05733	1.5
141.70959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
53.00304	1.0
58.52997	0.4
63.02363	1.1
64.85136	0.5
65.03932	13.1
79.05479	1.0
81.07037	2.4
90.83922	0.4
91.05473	100.0
92.05810	0.9
96.86748	0.4
108.83822	0.4
109.06522	3.4
119.04937	33.8
132.08090	0.9
133.01974	0.4
137.05977	39.2
149.55347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.81196	0.5
55.30562	0.5
65.03925	0.9
65.33051	0.6
66.04710	3.0
76.26439	0.7
79.05470	1.4
81.07040	1.1
87.88768	0.6
91.05458	2.6
94.04179	21.2
95.04926	1.3
100.88796	0.6
103.47844	0.6
105.58154	0.7
107.04933	1.0
109.06553	0.8
122.03638	35.1
134.52689	0.7
137.05969	100.0
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	Unknow
Peak:m/z	Relative Intensity
65.03919	1.3
66.04697	2.5
67.75388	0.5
69.23429	0.6
70.38442	0.5
77.03934	0.6
79.05473	1.5
81.07042	1.7
91.05469	2.4
94.04182	21.3
95.32087	0.5
102.71835	0.6
107.04959	0.8
122.03646	35.8
135.04361	0.7
137.05975	100.0
155.03505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.72755	1.2
53.70037	1.3
65.03922	4.5
66.04706	3.2
67.05474	1.8
79.05466	4.9
81.07047	8.1
82.65440	1.5
86.47174	1.5
91.04927	2.1
91.05473	27.8
94.04173	16.0
95.04954	3.0
96.49287	1.5
102.48924	1.6
107.04902	2.6
109.06502	4.8
110.05953	1.9
119.04966	9.1
119.05688	1.4
120.04430	2.0
122.03654	28.9
136.20126	1.5
137.05975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
56.63076	1.4
65.03934	8.3
81.07053	1.8
91.05472	100.0
103.05421	1.6
109.06500	3.1
119.04935	34.2
121.06498	11.9
124.85102	1.7
135.67992	1.6
137.05975	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	138.0914
Annotation	Hydroxyphenethylamine
Peak:m/z	Relative Intensity
50.77110	0.3
51.02357	0.4
53.03934	0.6
53.19424	0.3
55.01846	0.4
65.03926	0.8
73.99231	0.3
77.03921	0.7
81.67155	0.3
91.05469	9.4
92.05795	1.3
93.07035	13.9
95.04964	6.1
103.05461	9.9
105.04503	1.2
118.06541	0.7
121.06499	100.0
122.06856	0.8
138.06276	0.6
138.47237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0706
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.38248	1.4
53.03930	1.8
55.01857	2.0
55.70894	1.4
56.05015	1.6
56.96545	7.0
57.03434	1.7
58.21108	1.4
58.38383	1.6
65.03917	2.0
65.85752	1.3
67.05483	6.3
68.05002	7.0
69.03409	5.3
70.06570	6.2
71.04982	1.8
80.05013	2.8
81.03394	3.5
81.04527	3.9
82.06565	2.6
83.07328	2.0
84.04485	2.7
84.08129	7.1
91.05471	7.2
92.05795	6.7
93.06145	5.0
93.07031	7.8
94.06557	61.3
94.07379	4.1
95.04949	7.7
95.07711	10.7
96.04479	7.3
96.05266	4.1
96.08087	1.8
98.06029	7.8
98.97559	5.3
101.56819	1.6
103.05453	5.6
104.05800	2.6
105.06115	8.8
109.05241	12.5
112.03951	6.3
112.04659	2.2
112.06368	2.2
112.07597	31.5
116.98608	3.2
121.44035	1.7
122.06020	57.0
122.06880	12.9
123.07091	100.0
125.08321	1.7
134.99754	2.1
140.00233	5.7
140.03412	14.1
140.07060	87.4
140.08141	5.1
140.10713	16.9
140.11752	2.8
151.69469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44624	2.0
56.05028	3.1
56.96554	2.0
65.03918	3.9
66.04263	4.5
67.05486	5.9
68.05008	10.8
69.03416	7.7
69.07040	2.1
70.02953	4.1
70.06575	9.5
80.05002	3.3
81.03417	2.6
81.04520	11.8
82.06573	3.0
83.03703	2.0
83.07342	2.6
84.04478	3.5
84.08135	9.7
91.05468	9.5
92.05799	46.3
93.06165	3.5
94.06547	72.5
94.24872	1.9
95.04955	6.8
95.06911	3.5
96.04488	5.2
98.06056	8.8
109.05212	11.6
110.06013	3.7
112.03957	3.7
112.07593	55.8
114.44759	2.0
114.55669	2.0
120.05286	6.7
122.03625	2.5
122.06019	71.6
122.07153	7.7
125.08358	2.7
140.03462	3.6
140.07042	100.0
140.08098	3.6
140.10727	23.4
140.11768	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	140.0819
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
54.03463	4.2
54.08355	0.5
56.53438	0.6
56.96564	5.1
57.03436	0.6
57.25600	0.6
64.43949	0.6
70.34904	0.6
78.89553	0.6
80.05029	0.6
81.04536	100.0
81.26690	0.6
94.06556	7.0
98.06053	0.9
98.97564	2.4
100.02475	0.9
101.53879	0.6
102.98867	0.6
112.07645	0.9
116.98595	1.2
122.07147	34.3
123.04031	1.6
134.99721	0.8
140.00203	1.7
140.07109	2.4
140.08174	43.7
140.12967	0.7
149.81691	0.9
158.01259	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	144.0478
Annotation	4-Methyl-5-thiazoleethanol
Peak:m/z	Relative Intensity
55.95700	0.4
65.03915	0.8
65.22482	0.4
68.51315	0.5
69.75014	0.4
69.89788	0.5
70.06567	0.5
80.65417	0.5
89.46870	0.5
98.00639	0.6
98.06045	2.5
99.02662	2.0
99.04463	0.7
100.23874	0.6
104.19321	0.7
112.02182	1.2
113.02960	28.4
114.03733	2.0
121.01668	0.5
126.03731	17.2
144.04774	100.0
158.40234	0.5
164.67726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
52.30325	0.5
56.96557	1.5
59.42604	0.5
70.06564	0.9
71.04965	0.8
75.52651	0.6
75.75990	0.6
75.97695	0.7
79.80216	0.5
81.63163	0.5
84.04474	1.3
84.17534	0.5
91.05476	2.0
93.84479	0.6
98.06046	3.4
98.09676	0.7
99.04424	2.2
103.05439	1.1
113.02956	1.5
113.66615	0.6
115.05439	3.8
117.05762	1.4
117.07021	11.3
126.03717	1.4
139.01796	0.8
141.82515	0.6
143.07291	9.9
144.04823	7.8
144.08078	100.0
145.06465	2.4
146.05911	0.9
155.05959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
56.05030	6.4
56.79601	0.4
62.35320	0.3
63.41269	0.3
69.07059	0.6
70.06581	0.9
71.04979	0.5
71.08566	0.4
81.03413	0.5
84.08135	13.6
85.02866	0.8
98.06036	0.9
98.09686	100.0
99.04430	1.9
103.05478	0.9
113.02969	2.8
119.49194	0.4
126.03716	1.2
127.03873	0.5
144.03769	0.3
144.04784	6.8
144.06520	0.7
144.10193	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	144.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
54.79176	1.9
55.01855	4.2
56.46301	1.6
56.96561	76.6
57.03422	2.8
57.07068	29.6
58.96143	2.9
60.95840	2.5
62.12020	2.0
62.92966	7.7
67.05487	2.2
69.07072	2.2
69.92630	1.8
70.06578	5.8
71.04975	13.0
72.04543	1.9
74.06062	18.0
76.87983	2.0
81.03384	3.3
81.52108	2.7
83.08583	2.2
84.04498	4.4
84.23489	2.3
85.02886	4.9
86.06082	3.2
88.02400	2.3
88.07108	3.6
88.07625	56.2
97.99180	5.6
98.06061	17.6
98.09669	6.5
99.04451	20.7
99.53148	4.5
102.03410	6.9
102.09164	13.6
102.53580	3.5
106.19734	2.3
111.03958	8.0
112.79529	2.3
113.02953	5.3
120.02388	2.7
121.96648	3.6
122.54726	5.0
127.03916	4.3
139.01840	3.2
144.04781	16.2
144.06552	5.7
144.13828	100.0
144.98228	8.5
145.04959	4.5
162.03477	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03942	8.0
54.44636	1.1
55.01861	8.2
56.38741	1.0
57.03429	9.1
66.80734	1.4
69.03428	6.5
71.01326	1.5
71.04608	2.3
71.04981	37.7
75.81983	1.1
80.82027	1.3
81.03407	10.8
85.02889	18.1
87.04431	1.2
97.02898	1.5
99.04443	100.0
101.02338	2.0
121.48264	1.1
127.03913	21.1
134.72908	1.4
145.04929	12.9
161.37624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84091	0.8
53.03942	9.0
55.01861	6.8
56.77301	1.0
57.03425	6.4
59.04972	1.2
63.77937	0.9
69.03416	10.2
71.01337	2.3
71.04979	32.6
81.03402	11.1
83.01331	1.0
84.99232	1.1
85.02884	16.3
85.40636	1.0
97.02871	2.6
99.04443	100.0
101.02383	2.4
117.49538	1.2
127.03909	22.2
141.05722	1.2
145.04941	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
50.46327	1.6
54.11748	1.7
56.05022	2.6
56.96564	2.6
57.03415	1.8
58.06582	3.5
67.36308	1.6
68.39840	1.8
72.04475	2.8
72.08147	67.5
74.06056	2.6
75.09219	2.8
80.04980	4.0
81.03400	12.0
82.06561	6.8
83.04972	10.0
84.04499	3.6
84.08129	5.0
84.21689	2.1
84.90539	1.7
86.06039	3.5
91.05484	17.2
94.65617	1.7
95.66610	1.7
100.04806	2.5
110.06026	5.9
111.04448	6.4
112.11246	14.3
118.05687	5.1
118.06532	100.0
128.07066	7.0
129.05501	3.9
129.13890	6.0
146.06018	31.2
146.08026	9.4
146.16486	2.9
154.79999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
53.23295	0.8
55.01868	1.5
55.05494	3.0
56.05029	6.6
56.96547	1.7
57.03421	1.8
58.06591	10.2
59.26938	0.7
60.05626	1.9
60.08142	2.5
65.03905	1.0
67.05486	3.7
68.05015	2.9
69.03413	3.8
70.06572	3.9
71.01340	1.4
71.04974	3.0
72.04494	6.4
72.08144	100.0
73.02908	1.7
74.06051	2.5
75.09232	3.6
80.05007	7.3
80.34442	0.7
81.03406	21.1
82.06567	12.7
83.04492	1.2
83.04970	16.9
84.04494	19.2
84.08137	12.3
85.02900	3.9
86.06055	15.5
87.04465	13.6
87.10284	0.7
94.46738	0.8
98.06024	3.9
99.04438	1.7
99.92850	0.8
100.02446	1.2
100.04777	3.8
100.07608	10.8
102.05521	1.7
104.07123	1.2
105.20479	0.9
107.27904	0.8
110.06039	12.9
111.04442	11.6
112.11231	22.4
115.02540	0.9
118.97905	0.8
123.04066	1.7
124.04245	0.8
128.07077	14.0
128.08049	1.0
129.05463	5.9
129.13893	7.0
130.05014	3.0
137.03011	0.8
142.47025	0.9
143.01880	1.4
146.08119	21.4
146.09238	4.7
146.11760	2.8
146.16501	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	146.0812
Annotation	6-Amino-2-oxohexanoate
Peak:m/z	Relative Intensity
53.03920	1.5
53.23295	0.8
55.01868	1.5
55.05494	3.0
56.05029	6.6
56.96547	1.7
57.03421	1.8
58.06591	10.2
59.26938	0.7
60.05626	1.9
60.08142	2.5
65.03905	1.0
67.05486	3.7
68.05015	2.9
69.03413	3.8
70.06572	3.9
71.01340	1.4
71.04974	3.0
72.04494	6.4
72.08144	100.0
73.02908	1.7
74.06051	2.5
75.09232	3.6
80.05007	7.3
80.34442	0.7
81.03406	21.1
82.06567	12.7
83.04492	1.2
83.04970	16.9
84.04494	19.2
84.08137	12.3
85.02900	3.9
86.06055	15.5
87.04465	13.6
87.10284	0.7
94.46738	0.8
98.06024	3.9
99.04438	1.7
99.92850	0.8
100.02446	1.2
100.04777	3.8
100.07608	10.8
102.05521	1.7
104.07123	1.2
105.20479	0.9
107.27904	0.8
110.06039	12.9
111.04442	11.6
112.11231	22.4
115.02540	0.9
118.97905	0.8
123.04066	1.7
124.04245	0.8
128.07077	14.0
128.08049	1.0
129.05463	5.9
129.13893	7.0
130.05014	3.0
137.03011	0.8
142.47025	0.9
143.01880	1.4
146.08119	21.4
146.09238	4.7
146.11760	2.8
146.16501	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	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
51.35712	0.5
52.61348	0.7
53.43231	0.5
55.05504	1.5
55.07048	0.6
56.05038	3.6
57.03433	1.0
58.06592	9.0
60.05635	1.5
60.08152	1.9
67.05507	1.0
68.05011	1.1
69.03416	1.3
70.06584	1.6
71.04968	1.1
71.10320	0.7
72.04507	2.0
72.08147	100.0
74.06084	1.5
75.09238	5.3
80.05019	2.7
81.03415	8.2
82.06570	5.0
83.04977	5.8
84.04497	29.0
84.05009	1.5
84.08141	16.3
85.02919	1.9
86.06057	6.6
87.04462	7.8
98.06045	2.0
99.04469	1.0
100.04813	1.0
100.07620	3.5
102.05566	2.2
103.01873	0.6
105.39232	0.7
110.06030	4.8
111.04424	3.6
112.11236	22.3
123.04120	0.9
123.54093	0.7
128.07094	5.9
129.05495	1.9
129.13864	6.4
130.04990	9.4
130.08632	1.6
134.28603	0.6
139.13240	0.7
143.01898	1.3
146.08124	5.5
146.09195	1.5
146.11768	3.1
146.16513	5.7
154.08252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
56.04772	0.3
56.05028	3.7
58.06593	0.3
58.74528	0.4
59.13646	0.2
61.18239	0.3
67.20667	0.3
69.69765	0.3
70.35419	0.3
72.08140	2.8
73.08483	1.9
74.25795	0.3
78.33801	0.3
83.52220	0.3
84.04495	100.0
84.08132	4.3
85.02895	1.3
85.04819	0.6
91.01704	0.3
101.07130	2.9
102.05544	3.5
130.04997	34.0
130.08644	0.7
147.07629	1.8
148.06010	0.4
168.17241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	2,5-diaminohexanoic acid
Peak:m/z	Relative Intensity
56.05029	4.7
56.96550	0.8
58.06577	0.4
67.05493	1.5
72.08138	1.8
73.08482	1.2
74.02418	0.5
82.48479	0.3
84.04494	78.1
84.08131	100.0
85.02900	1.1
85.06543	0.7
85.08439	0.4
86.41133	0.3
86.81227	0.3
101.07122	2.2
102.05531	4.0
112.07602	0.4
112.11227	0.4
113.11599	0.5
119.02000	0.4
123.04057	0.7
129.10255	0.7
130.04996	26.6
130.08629	18.8
139.94099	0.3
142.03508	0.4
147.07645	1.3
147.11279	2.0
147.12279	0.3
148.06021	0.5
150.11488	0.3
165.05156	0.4
169.27837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.54873	1.5
54.01762	1.7
55.05514	10.8
56.62356	1.5
56.82980	1.7
60.57464	1.8
62.37947	1.7
64.92783	8.3
65.31080	1.9
67.05486	2.4
71.56756	1.7
76.37898	1.7
79.05482	4.0
81.07020	3.5
82.63412	1.6
84.04491	12.0
91.05471	14.3
91.65609	1.7
103.05477	2.7
105.07027	100.0
116.33070	2.0
117.07036	4.8
119.08579	59.1
121.67095	1.9
123.96446	6.4
129.22562	1.9
132.09282	2.3
146.98024	17.7
147.08051	3.2
147.11690	62.1
167.90126	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
55.52636	0.4
56.05031	6.3
59.69437	0.3
59.75693	0.4
70.41292	0.4
75.33421	0.4
84.04495	100.0
85.02908	2.6
85.04270	0.8
85.04823	8.6
91.70964	0.5
102.05534	18.3
102.09157	0.5
111.67513	0.4
126.98165	0.4
130.04996	11.8
131.05341	3.5
145.02849	0.4
148.06044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64164	0.9
52.93460	0.8
65.03929	28.7
69.37035	1.0
93.03403	6.9
93.07046	1.2
111.04426	5.8
121.02847	37.0
121.03956	8.2
127.49748	1.1
149.02328	100.0
149.07109	1.3
163.27505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03318	1.1
62.27911	1.1
65.03933	27.8
67.68329	1.4
68.55023	1.2
74.93747	1.3
93.03388	10.6
99.43211	1.3
99.47150	1.3
111.04413	4.8
121.02855	40.3
121.03965	8.9
122.09230	1.3
149.02335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02354	0.6
53.03936	1.4
55.01860	0.9
55.59949	0.6
56.96541	3.2
58.06588	1.2
62.05310	0.6
65.03931	4.9
69.03401	2.0
77.03902	1.2
79.05485	35.7
81.04535	0.9
84.04478	1.9
84.44582	0.8
85.04816	5.2
91.05459	5.8
91.71579	0.7
93.07035	16.0
95.04969	9.0
103.05457	100.0
104.05803	1.3
105.04512	1.8
105.07003	1.7
107.04945	36.0
108.04512	0.8
111.04443	1.6
118.06548	1.1
121.02840	3.0
121.04012	0.8
121.06497	7.1
121.07391	0.9
121.07556	0.7
122.07162	0.7
123.07915	1.7
126.05512	0.9
131.04909	7.4
144.08110	2.0
148.07610	1.2
149.02327	12.9
149.03450	0.6
149.05988	3.2
149.07082	4.9
149.08215	5.5
149.10718	8.7
150.05469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.99975	1.4
55.01864	1.5
59.20848	1.4
65.03921	6.7
65.48600	1.4
69.03409	4.0
79.05479	7.2
89.50404	1.5
91.04927	2.5
91.05473	39.1
91.71700	2.8
93.07035	19.9
95.04947	5.1
97.04149	1.5
103.05449	6.4
104.43719	1.6
105.07027	27.0
106.54108	1.6
107.04936	2.2
107.08579	4.7
109.06480	2.9
111.04379	1.9
115.05458	5.7
116.06220	14.0
119.08571	6.8
121.02821	8.9
121.04034	1.8
121.06473	12.0
121.10136	35.7
123.08089	6.1
126.05494	1.9
129.06993	4.2
131.08560	18.9
133.06468	2.2
133.07536	2.3
134.07253	3.1
147.08070	2.6
148.47667	1.5
149.02332	19.1
149.07083	3.3
149.09610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03940	3.5
55.05503	10.0
59.87777	3.5
65.03929	23.7
69.07070	17.7
69.96614	3.4
79.05475	10.0
79.97650	3.8
80.12476	3.4
81.07048	29.2
83.35640	3.1
89.76618	3.6
91.05470	17.9
93.03400	5.6
93.07034	100.0
95.04959	10.5
105.07039	5.1
105.26752	3.5
107.08591	60.3
107.10663	3.3
108.04445	8.4
111.04465	5.9
115.42558	3.8
121.02864	23.7
121.03950	5.8
121.10132	24.7
126.05540	11.9
149.02324	55.3
149.06036	5.5
149.07153	15.1
149.13255	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	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.05496	9.4
55.69867	3.2
57.07063	3.8
58.47987	2.8
58.67082	2.8
60.52400	2.6
60.75019	2.7
65.03932	24.6
67.05486	4.9
69.07058	19.5
69.84682	3.2
76.71129	3.1
79.05471	12.8
81.07056	32.7
89.01537	3.3
91.05476	18.7
93.02898	3.6
93.07032	100.0
95.04957	5.9
95.08602	4.5
105.07012	5.4
107.08587	62.7
108.04463	8.2
121.02879	21.1
121.04004	8.8
121.10136	28.9
126.97202	3.5
149.02353	48.2
149.07137	8.6
149.08244	5.4
149.13257	56.5
163.23724	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
52.35671	2.2
54.64726	2.4
55.05494	8.0
56.96549	3.0
65.03917	12.8
67.05485	12.4
69.07062	29.3
79.05481	19.6
81.03422	2.8
81.07045	90.3
83.08592	2.9
85.08530	2.6
86.44731	2.5
91.05485	20.1
93.07035	94.2
95.05005	5.7
95.08583	6.0
105.03366	3.4
105.07023	10.1
107.08587	85.4
109.06483	4.4
121.02865	14.5
121.10126	36.6
126.05490	4.5
131.04858	3.3
149.02290	23.6
149.05963	3.4
149.07086	7.0
149.08180	3.6
149.13254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.7
56.75933	2.6
57.39401	2.5
65.03923	9.4
67.05492	12.4
69.07062	26.7
79.05494	19.7
81.07045	90.3
83.62506	2.6
91.05464	17.7
93.03394	3.5
93.07032	100.0
95.04923	5.3
95.08595	6.5
105.07024	7.9
107.08588	79.1
107.09281	6.1
108.04497	7.5
121.02846	10.9
121.03904	4.5
121.10117	41.5
126.05520	5.9
149.02295	21.3
149.07103	11.5
149.13240	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.42154	3.1
55.05495	9.4
58.47426	3.6
58.64026	3.5
62.19844	3.6
67.05503	5.8
69.07057	15.0
79.05486	8.8
81.07051	36.0
88.37345	4.1
91.05476	16.0
91.71621	5.4
93.07035	100.0
95.04958	5.6
95.08602	7.3
96.37722	4.0
107.08600	55.5
121.10144	22.6
121.42390	4.5
145.28888	4.3
149.07092	4.9
149.13235	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.86849	2.1
53.00291	2.2
55.05500	9.6
56.37489	2.5
57.42122	1.9
60.64156	2.2
65.03943	4.8
67.05505	3.7
69.07053	26.9
71.77227	2.2
72.89558	2.2
79.05490	14.2
81.07050	37.4
81.09769	2.4
83.59093	2.4
91.05477	16.1
93.07037	100.0
95.04966	7.0
95.08625	4.4
99.40779	2.3
105.04558	3.0
105.07006	6.6
107.08587	66.0
121.02845	4.2
121.10139	31.7
125.56976	2.8
126.05495	4.8
149.02350	7.8
149.07095	10.1
149.08221	3.9
149.13252	70.9
150.05461	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	151.0752
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
55.05484	10.3
56.43874	6.6
63.93917	7.2
67.05492	41.1
69.03412	18.7
79.05471	22.2
81.07027	65.1
91.05479	30.2
91.71088	12.6
91.71661	15.7
93.07022	17.1
95.04939	14.7
95.08597	78.1
105.07049	50.9
107.04963	6.8
107.08586	8.6
109.06512	100.0
109.10163	8.6
114.34984	6.8
119.89467	7.7
123.08058	47.3
123.11736	20.7
129.78275	7.2
133.06461	14.9
151.07535	97.2
151.08624	11.8
151.11154	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
55.01857	3.5
56.96299	2.6
56.96558	27.6
57.03419	6.4
61.02901	2.5
65.03918	11.1
67.05489	4.0
69.03416	5.6
73.02914	5.1
73.36365	1.5
74.43567	1.5
79.05498	2.4
80.05034	2.4
80.54063	1.8
81.03409	5.6
84.40358	2.0
85.02895	5.9
91.05472	100.0
92.71445	2.4
95.04955	15.6
95.08579	2.6
97.02935	4.2
97.99174	3.8
98.97557	12.1
100.32427	1.8
104.63699	2.3
105.07040	2.4
109.02894	3.5
114.19929	1.7
116.98597	3.1
119.04932	41.5
123.04472	5.6
123.06369	2.9
123.08088	3.5
128.98561	3.3
132.08058	3.0
136.05183	8.9
137.06010	2.7
140.00186	8.8
146.99632	2.2
151.03880	5.4
151.05873	1.9
151.06143	2.2
151.07533	45.6
151.08635	3.7
152.07111	3.0
156.26276	1.9
158.01183	1.9
160.07594	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	151.1117
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
52.80264	1.2
55.05491	3.8
56.96560	2.5
57.07061	4.9
62.38868	1.2
63.78608	1.2
66.04745	1.3
67.05491	15.9
69.07049	2.4
70.39327	1.3
70.46584	1.7
76.03895	1.7
79.05473	11.5
80.06211	1.8
81.07047	100.0
88.64026	1.6
91.05466	14.0
93.07056	10.4
95.04955	6.3
95.08593	18.5
105.07032	23.8
106.04162	2.0
107.04960	13.7
107.08607	8.3
108.05718	5.0
109.06525	12.9
109.10150	11.1
111.77102	1.6
117.98640	1.9
118.04114	2.2
121.06519	3.4
121.10163	4.9
123.08067	4.9
123.11702	57.1
133.10146	15.6
135.04399	3.0
136.05196	2.0
151.07556	34.1
151.08698	2.3
151.11171	40.6
151.12317	3.3
152.03468	1.7
155.42595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Chrysanthenone
Peak:m/z	Relative Intensity
51.46895	1.2
55.05492	2.1
56.96553	2.4
59.27902	1.2
65.28886	1.3
67.02647	1.5
67.05495	3.3
69.03423	14.7
69.07063	1.3
71.04972	5.8
78.05872	1.4
81.07052	16.4
91.05474	8.8
93.06489	3.1
93.07038	44.6
95.04930	8.6
95.08588	7.5
105.07040	10.6
107.08588	10.1
109.06506	7.0
109.10155	7.1
123.08062	6.1
123.11705	3.9
133.10126	15.1
151.07539	3.0
151.11179	100.0
152.03444	2.3
154.99034	1.6
164.32576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Thymol
Peak:m/z	Relative Intensity
53.33031	0.8
53.77182	0.7
55.01848	1.3
55.05491	1.2
56.96546	1.9
57.78241	0.8
59.04990	1.4
60.54328	0.8
65.03926	1.0
67.05503	6.6
69.03419	1.3
69.07042	2.1
78.03420	1.1
79.05469	2.6
81.07049	15.3
91.05476	5.1
93.07018	5.5
95.04950	4.4
95.08589	4.8
95.25124	1.0
97.06507	2.2
105.07011	9.8
106.73418	1.0
107.04922	1.9
107.08569	4.5
108.05708	1.0
108.08089	1.4
109.06509	12.3
109.10151	8.3
121.06499	2.4
121.10121	1.5
123.08060	2.9
123.11710	3.3
126.60527	1.1
133.10120	3.4
134.06018	1.9
151.07579	2.0
151.11172	100.0
152.03404	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
50.25228	1.1
51.27076	1.4
53.03923	1.5
54.47701	1.0
56.86838	1.1
68.09021	1.2
68.72721	1.1
77.03917	1.8
77.76206	1.2
78.73443	1.1
79.05484	14.0
80.02981	1.3
81.03394	2.5
82.72111	1.3
95.04961	7.0
106.05878	2.0
106.06543	20.4
107.04948	100.0
109.02851	8.0
118.06544	1.7
123.04463	2.7
134.05994	22.7
135.03360	2.7
135.04408	53.9
148.07529	1.8
152.03462	2.3
152.05682	6.1
152.07039	52.8
153.04051	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02357	1.1
51.28878	1.0
53.03935	1.3
59.41647	1.1
60.35939	1.2
67.29980	1.2
74.64948	1.4
77.03891	1.4
79.05483	15.5
81.03405	3.4
88.82607	1.2
89.03931	1.4
95.04932	7.0
106.06543	22.3
107.04945	100.0
109.02862	8.4
110.03511	1.7
123.04400	3.5
134.06013	24.2
135.04399	46.5
148.99084	1.5
152.03326	1.6
152.05692	5.8
152.07037	47.4
153.04083	2.4
164.62202	1.6
169.81305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
53.03937	3.3
55.05500	7.7
56.96555	16.2
65.03922	9.5
67.01856	100.0
67.05494	39.9
69.03403	2.5
69.07031	4.2
71.01344	13.6
79.05486	28.3
81.03393	2.4
83.04961	12.1
85.02854	2.6
91.05468	4.2
93.03378	2.7
95.04924	12.8
97.06518	10.4
105.04536	2.5
107.04948	75.0
108.04459	10.2
109.02874	60.7
109.06539	3.0
111.04440	24.9
118.06528	2.4
125.06001	12.4
129.05455	3.6
135.04405	16.1
135.05469	5.3
136.03926	8.0
137.05925	2.6
153.04082	3.6
153.05458	39.6
153.06596	15.9
168.76279	2.9
171.06522	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	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
52.76028	0.6
53.00299	0.6
55.51121	0.7
56.96561	1.0
58.46451	0.6
62.41591	0.6
62.85313	0.6
65.03932	69.7
68.88731	0.7
70.94254	2.2
79.05492	1.2
91.71065	1.1
93.03391	14.6
95.04958	1.3
97.06500	1.0
99.08130	0.6
103.79474	0.8
106.06551	1.1
110.03658	8.0
110.06037	0.8
111.04435	100.0
111.96832	1.7
111.98457	1.1
125.05984	48.2
134.06013	25.0
152.99503	1.5
153.05464	18.2
153.06546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
55.05503	11.0
58.28693	3.2
65.03934	11.3
67.05501	27.8
69.07058	41.4
71.29849	5.0
79.05494	18.6
81.07056	34.5
83.08611	5.4
85.06596	5.2
87.76196	3.9
91.71017	4.6
93.07043	37.6
95.08614	12.5
97.06529	16.9
107.08575	34.3
109.10149	21.4
109.20176	4.4
111.04459	15.9
122.06866	20.5
125.05984	7.2
135.11691	100.0
153.05464	7.9
153.06557	6.0
153.12740	97.3
153.13988	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Dopamine
Peak:m/z	Relative Intensity
53.00298	0.5
54.10473	0.3
54.56752	0.3
65.03927	7.5
79.05469	0.5
80.22502	0.4
81.07042	1.2
91.05466	57.8
91.71003	0.9
109.06518	2.3
111.50844	0.4
119.04927	25.0
130.61403	0.4
132.08087	0.8
137.05963	100.0
138.06287	0.5
149.57426	0.5
160.07538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Octopamine
Peak:m/z	Relative Intensity
54.90284	1.0
56.96550	1.6
61.31429	1.1
64.67957	1.1
65.03891	2.4
69.03420	1.4
78.87707	1.3
79.05483	2.1
80.04985	3.7
81.07047	2.3
91.05472	45.3
105.90097	1.3
108.08112	70.4
109.06472	2.6
112.07595	1.8
119.04924	19.6
126.05490	1.8
126.09134	2.3
136.07578	66.2
137.05974	90.5
141.69862	1.3
154.05014	2.7
154.08627	100.0
160.07523	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	154.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27931	1.2
53.17099	1.0
55.32041	1.2
56.05600	1.1
59.41594	1.2
71.35007	1.5
72.93780	100.0
77.23888	1.4
90.94810	15.4
91.56831	1.4
100.92308	2.0
101.92892	1.4
109.33321	1.5
113.96393	89.0
131.97435	23.3
154.99014	57.9
155.99373	1.6
161.63226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74035	1.6
72.93781	100.0
90.94828	16.8
113.96398	86.7
125.06694	1.9
131.97440	27.1
154.99008	57.2
164.13416	1.7
171.47861	1.8
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	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
68.05012	1.1
72.96406	0.4
81.04516	1.1
82.05308	3.1
83.06094	13.5
91.05455	0.6
93.04520	7.4
95.06086	7.6
100.36421	0.4
110.07157	100.0
111.05564	0.6
139.06523	1.3
156.07693	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	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
50.14331	0.4
50.72126	0.5
56.05011	1.6
56.96534	0.5
58.41842	0.5
68.05000	0.8
77.32939	0.6
79.58015	0.5
81.04531	1.4
82.05318	2.2
83.05638	0.9
83.06097	12.0
88.28345	0.5
89.79853	0.5
93.04521	6.4
95.06079	8.9
110.07157	100.0
117.02737	0.6
138.03857	0.6
156.07677	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	156.1383
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
53.00308	1.5
56.96558	18.6
57.07068	100.0
64.48666	1.3
64.65286	1.3
72.93778	3.7
74.93819	2.2
87.38038	1.3
91.71645	3.1
94.58332	1.6
96.38806	1.5
100.07616	6.5
110.06014	2.9
113.96381	2.2
115.96438	4.1
124.63335	2.0
132.63777	1.4
138.70485	1.6
156.13831	51.3
156.99100	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	156.1383
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
50.65389	2.5
55.01656	3.0
55.01866	35.0
56.96562	45.0
57.07052	8.6
69.07038	3.1
69.43725	3.2
72.04506	100.0
72.93761	4.6
74.93164	3.8
74.93806	5.8
82.06567	5.9
102.12802	7.5
110.06092	3.8
110.07133	4.1
115.96436	14.0
139.01863	3.8
156.13828	76.4
156.99071	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	158.0813
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
55.01883	0.7
55.05503	1.0
56.05034	4.6
56.96557	7.4
60.04509	0.7
64.45329	0.6
67.05485	0.9
68.05017	1.4
69.03404	2.3
70.06584	32.0
71.04977	1.6
72.04523	1.4
74.16782	0.7
83.04967	1.3
84.04497	100.0
84.08134	9.6
85.02889	1.1
86.06066	1.7
89.47979	0.8
91.71656	1.0
94.06593	1.1
96.04486	1.3
98.06059	3.8
98.97578	13.0
99.04456	2.3
112.07603	28.0
112.08378	1.7
113.06051	1.1
114.05518	5.3
116.07099	9.1
116.98618	8.1
126.86463	0.9
130.08601	1.9
134.99651	6.0
140.00203	10.1
140.04250	1.0
140.07082	3.7
158.01253	7.1
158.05280	1.3
158.08133	11.1
158.09492	1.2
176.02403	1.0
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
54.68688	1.0
55.01834	1.1
56.05040	3.1
56.41884	1.1
57.03421	1.1
58.06585	2.4
68.05003	4.2
68.05976	1.1
69.03418	2.4
70.06575	17.2
71.05003	1.4
72.04502	2.0
74.06068	1.8
81.03436	1.4
84.04494	47.1
84.08131	84.1
85.02890	2.8
86.06064	2.5
87.04430	1.8
91.71648	2.5
94.06574	2.7
96.04475	1.4
98.06038	7.2
98.55032	1.2
112.07597	100.0
113.07912	1.4
114.05515	2.0
116.07089	4.0
128.10684	1.5
130.08641	4.3
134.55217	1.2
140.07050	7.5
141.07278	1.8
158.08105	21.0
158.09352	2.8
158.11749	1.5
158.15395	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	158.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84457	2.2
56.96560	17.3
57.07073	23.4
63.26165	2.6
64.44872	2.5
65.49104	2.5
69.28056	2.9
70.06581	18.1
74.06071	8.3
74.09715	4.9
78.86160	2.5
79.65871	2.8
80.19992	2.3
84.08133	4.1
85.06519	3.2
87.25194	2.8
93.64560	2.6
96.04506	3.0
98.97573	23.0
102.09171	72.9
107.72013	2.6
109.29709	2.7
112.07606	6.0
115.31161	2.8
116.98609	11.4
125.42677	3.3
134.99648	12.0
137.85144	2.9
140.00169	18.7
140.07048	5.3
153.60397	3.7
158.01271	17.5
158.08334	3.6
158.09647	12.0
158.15395	100.0
158.98669	4.2
162.58508	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	159.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.0
55.84330	7.2
56.05020	35.7
56.96558	61.9
58.06599	22.6
67.05477	11.5
68.99784	9.6
69.03434	10.4
70.06584	100.0
71.01352	42.5
71.04966	17.4
71.06916	65.8
72.04503	11.6
72.08147	28.9
75.04477	11.4
79.47453	7.2
81.03426	13.2
84.04489	14.6
84.08131	17.4
85.02895	13.9
86.06022	11.3
88.07613	23.9
88.48497	8.6
91.36481	7.4
91.71564	9.4
95.04974	9.1
95.06897	8.7
96.04449	13.5
97.04770	7.1
97.06454	9.3
98.06060	8.5
98.97593	17.1
99.04433	13.2
99.06382	11.3
100.03996	22.3
100.07602	15.4
102.05518	15.3
113.02392	26.6
113.07204	17.7
113.07950	43.6
114.05502	24.6
115.05322	8.3
116.07084	76.8
116.98612	12.7
117.01859	40.7
117.07420	24.9
120.98112	8.1
123.06339	9.6
127.00305	23.8
128.04053	8.4
131.08171	42.3
136.05170	11.8
140.00208	14.1
141.01805	62.4
141.07394	15.6
142.04924	9.9
142.08699	10.8
145.01292	61.0
153.54991	9.3
158.01286	16.1
158.98558	12.6
159.02896	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	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96542	8.2
57.64103	1.8
61.64651	1.9
72.08136	3.2
75.15361	2.1
98.97585	6.5
99.97934	4.5
109.09723	2.3
115.05466	16.5
116.98600	4.7
117.05755	17.7
117.95952	2.5
118.06515	5.7
130.06532	26.0
132.08076	100.0
134.99693	3.4
140.00177	3.0
141.01744	2.8
141.88927	2.4
142.06520	26.5
158.01233	6.5
159.09163	91.6
160.07545	8.5
165.05092	2.6
170.83698	2.4
171.59608	2.8
176.02271	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	161.0921
Annotation	N5-Methyl-L-glutamine
Peak:m/z	Relative Intensity
55.06240	2.0
56.05028	11.9
56.96546	3.2
57.03416	2.5
58.06577	2.6
69.03423	3.3
70.06577	7.4
72.08140	9.8
78.96338	2.1
80.05023	2.8
84.04500	100.0
84.08135	10.8
85.02902	4.0
86.05537	4.7
86.06062	96.6
90.05540	21.6
91.05467	3.3
98.06049	10.6
102.05531	5.2
111.14381	2.7
115.08691	19.9
116.07082	7.5
118.06522	2.9
119.01928	5.7
126.09156	6.8
130.04996	14.7
130.08696	3.2
130.96336	2.2
144.06554	58.1
144.10268	4.7
161.05927	4.4
161.07101	8.3
161.09232	9.2
165.05067	3.8
184.04588	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	163.06
Annotation	(R)-2-Ethylmalate
Peak:m/z	Relative Intensity
53.06238	4.5
55.58178	5.2
56.96557	45.4
57.03421	20.7
61.02921	15.6
69.03423	35.2
71.04980	10.7
73.02906	9.2
81.03416	33.1
85.02907	65.9
85.09200	5.7
89.84137	5.8
95.04996	7.2
97.02900	7.0
97.99172	7.4
98.97584	22.9
99.04450	79.1
100.02447	8.8
103.03944	100.0
103.05453	12.7
105.07006	6.5
109.02930	12.5
109.52185	6.0
120.28216	5.8
122.09698	14.2
127.03918	62.4
131.04935	12.5
135.04440	6.1
140.00175	18.3
158.01326	6.0
163.03879	17.5
163.07483	10.7
164.07030	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	163.0866
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
51.33479	0.5
56.96541	1.7
57.03413	0.8
61.02898	0.8
62.09627	0.5
69.03402	2.6
70.35465	0.6
71.05013	0.6
77.85388	0.5
82.67266	0.6
85.02895	3.0
91.05470	0.8
92.04993	1.4
93.16172	0.5
97.02842	0.9
103.05441	1.0
118.06519	3.4
133.07608	15.3
135.09195	1.2
138.20595	0.7
145.06491	1.3
145.07597	18.7
146.08308	1.2
163.08652	100.0
164.07045	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.00283	1.8
54.11349	1.1
55.05504	7.3
55.05708	1.2
57.07057	1.6
58.22161	1.2
67.05479	6.4
69.06734	2.2
69.07060	23.9
71.01933	1.3
77.03876	1.6
79.05483	13.6
81.06602	2.3
81.07045	35.7
83.08603	6.2
86.71182	1.2
91.05471	9.8
93.06479	2.7
93.07034	34.9
95.04952	3.3
95.08596	21.8
102.30833	1.4
105.07025	4.6
107.08589	100.0
107.27425	1.5
109.06487	3.4
109.10124	2.1
109.90144	1.5
119.08566	2.2
121.10146	22.9
135.11723	8.2
148.24280	1.6
163.03931	3.0
163.11177	2.8
163.14810	51.7
164.06985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.9
56.95560	2.5
59.92405	2.6
67.05498	7.1
69.03413	2.8
69.07056	23.8
70.81107	3.0
78.34302	2.8
79.05483	12.3
81.07046	39.6
83.08606	4.6
90.10314	3.0
91.05486	10.7
91.71052	4.9
93.07037	47.8
95.04971	13.6
95.08608	31.1
105.07039	7.6
107.07431	4.5
107.08587	100.0
115.95758	3.3
121.10134	35.2
122.09689	6.0
130.39037	3.1
133.02872	5.4
135.04414	8.3
135.11699	11.1
163.03876	23.1
163.11188	6.4
163.14809	55.3
164.07108	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	164.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98805	0.4
61.01126	0.7
70.06582	3.5
91.05482	3.5
98.90524	0.5
109.06519	0.8
116.07045	0.7
118.06629	1.6
119.04955	2.3
123.04406	0.7
133.03188	1.5
137.05968	7.6
146.05995	1.3
147.04402	2.0
149.04703	5.2
164.07050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
52.13103	0.3
54.32495	0.4
61.01132	0.9
70.06577	2.6
85.02907	0.6
91.05467	3.5
95.04958	0.5
109.06491	1.0
111.26144	0.5
112.39273	0.5
116.07049	0.5
118.06605	1.5
119.04925	1.9
133.03172	1.1
137.05969	8.3
146.05998	0.9
146.08182	1.0
147.04366	2.3
149.04701	4.6
164.07054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	68.6
58.97287	0.8
60.34050	0.9
64.43618	0.8
74.02020	1.9
74.02430	27.4
74.06071	31.7
82.72036	1.0
84.04495	10.8
85.02899	2.7
88.99449	0.9
100.02477	4.3
102.05536	100.0
114.05594	0.8
118.03568	1.3
118.32624	1.0
119.12951	0.8
122.93706	0.8
123.04057	3.2
124.88114	0.9
126.43739	1.1
127.83041	0.8
141.05116	2.0
142.03508	1.6
146.34125	1.1
164.07256	1.4
165.05096	1.5
172.93599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	phenylalanine
Peak:m/z	Relative Intensity
52.44048	1.4
52.66885	1.8
64.00306	1.4
70.06602	3.3
91.05473	12.1
93.07019	7.3
94.01036	1.7
95.04955	6.0
95.06074	2.0
96.04493	2.9
96.08132	3.5
101.36232	1.6
103.05456	8.0
107.91518	1.9
113.72237	1.9
119.04922	2.1
120.08113	8.3
121.06497	88.2
123.04382	9.4
124.04826	2.2
131.04944	8.4
133.05321	2.0
137.05978	49.9
138.10229	18.8
148.07571	2.1
149.05981	36.0
166.08638	100.0
166.09801	18.7
166.12244	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	166.0863
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
51.02388	0.5
54.85603	0.3
63.68699	0.3
64.88499	0.3
69.80317	0.3
77.03893	0.4
79.05490	1.5
85.32690	0.4
91.05475	1.3
93.07034	2.3
95.04964	1.0
103.05459	11.5
107.04945	2.0
113.40798	0.3
118.06503	0.5
120.08096	100.0
121.06501	2.4
121.08422	0.5
131.04904	1.9
141.27367	0.4
144.08057	0.5
149.05942	0.6
165.85403	0.4
166.08572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0927
Annotation	N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
54.03449	3.9
57.49337	0.8
76.51300	0.9
79.22855	0.8
81.04530	100.0
93.07671	0.8
93.60003	0.8
119.03386	1.0
121.01664	2.9
122.07148	56.9
138.06306	2.0
138.69159	0.9
139.09776	64.6
140.08170	2.9
144.03238	3.6
150.06323	2.6
150.38446	0.8
163.09796	2.6
167.04860	2.6
167.09258	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
50.36205	0.9
53.03929	1.8
55.01859	1.8
55.05265	1.3
55.05505	17.8
57.03423	2.1
57.07069	9.7
57.08381	1.1
58.43287	0.9
58.51224	1.2
59.04989	17.8
67.05481	6.9
69.03420	25.5
69.07050	10.6
70.42516	1.2
75.56584	1.4
79.05479	13.8
81.03421	1.5
81.07046	17.4
83.04971	100.0
83.08605	3.9
91.05463	10.2
91.71709	1.3
93.07040	22.5
95.04963	5.0
95.08607	17.0
97.06519	33.0
97.10157	4.5
103.05476	2.4
105.07034	19.1
106.07810	1.6
107.08595	28.4
109.06519	7.1
109.10135	3.0
111.04431	11.8
111.08067	2.1
119.08578	4.5
121.01665	1.7
121.06527	10.4
121.07270	1.4
121.07529	1.1
121.08443	1.8
121.10139	52.8
122.06812	16.1
123.08071	7.5
123.11687	1.5
125.09628	18.9
137.09598	6.3
139.11179	16.1
144.03262	1.5
149.09599	5.3
157.53590	1.3
167.04779	2.3
167.09309	2.6
167.10689	11.8
167.12445	2.9
173.99586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
55.05499	11.8
55.85551	3.3
56.96554	6.2
57.03427	5.8
57.07066	22.7
59.04993	5.9
59.15529	3.5
59.54277	3.1
64.52298	3.4
67.05494	41.0
69.03417	49.5
69.07051	14.8
71.04991	26.6
75.43180	3.5
79.05476	9.4
79.27570	3.8
81.07048	73.2
83.04978	23.8
83.08585	5.2
84.13850	3.8
85.02908	5.7
85.06535	100.0
92.27429	3.8
93.07029	9.6
95.04968	15.1
95.08604	17.1
97.06510	6.5
99.04488	5.9
105.07047	5.0
107.08603	9.8
109.06519	19.9
109.10143	73.8
111.08087	13.8
111.67660	3.9
113.06007	15.4
113.18297	4.1
120.23268	4.3
121.10137	27.2
121.34309	4.1
123.08083	17.8
123.11695	75.0
133.84572	4.0
136.30595	4.4
139.11174	21.0
151.08669	4.4
151.11177	32.4
152.03406	49.9
152.04375	4.7
169.12209	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.00297	1.8
53.03913	1.4
55.01865	1.8
55.05506	6.9
55.93512	1.1
56.96544	3.6
57.03424	4.9
57.07072	20.8
59.04985	4.6
65.03920	3.1
65.42313	1.1
65.68800	1.3
67.05497	46.0
69.03419	50.8
69.06740	1.4
69.07062	17.8
71.04982	30.0
73.06528	2.0
79.05481	6.8
81.03391	4.1
81.07048	61.0
83.04971	19.9
83.08581	3.6
85.02885	6.5
85.06535	100.0
86.57069	1.5
91.05453	5.0
93.07050	10.4
95.04969	13.4
95.08144	1.1
95.08604	12.6
97.06509	5.9
99.04455	7.0
99.08070	4.4
100.08918	1.5
105.07021	7.1
107.08586	11.3
109.02914	1.8
109.06506	17.1
109.10152	71.2
110.06029	3.5
111.04424	2.0
111.08072	21.3
113.06000	16.1
121.10137	25.6
123.04430	1.5
123.08088	14.5
123.11700	68.1
125.09634	3.4
127.03928	1.9
127.11178	9.5
128.95038	1.4
133.10115	2.4
139.11177	18.8
146.39810	1.3
151.07567	1.7
151.08691	3.4
151.11171	28.7
152.03391	17.1
152.07001	2.1
169.04948	2.6
169.07466	3.5
169.12221	87.5
170.04369	2.7
170.08116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1219
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03937	5.3
55.01867	35.6
55.05508	14.1
55.29121	3.7
56.96549	20.1
57.03417	11.7
57.07056	20.3
59.04995	6.8
60.17240	4.1
65.03931	7.2
67.05495	52.8
69.03420	52.2
69.07061	30.6
71.04984	33.1
79.05489	13.8
80.05009	7.2
81.03416	8.4
81.07047	81.4
82.06596	4.8
83.04967	20.0
83.08612	11.6
85.02864	5.8
85.06536	96.0
87.24881	4.4
91.05436	7.3
93.07046	14.2
95.04962	26.5
95.06085	4.3
95.08588	49.6
95.09144	5.3
96.08118	6.2
97.06519	9.9
98.78331	4.3
99.04438	8.5
99.08076	7.1
105.07026	19.5
107.04958	7.8
107.08617	15.1
109.02850	6.0
109.06526	32.3
109.10136	51.6
110.06052	18.6
111.04479	10.0
111.08084	30.2
113.06013	15.4
121.10118	27.2
123.04456	10.4
123.05489	4.0
123.08066	21.8
123.11703	81.5
125.03193	4.5
125.09619	5.0
128.04242	5.3
133.07556	4.5
133.10150	5.1
134.06007	9.0
139.01770	5.6
139.11195	19.6
151.03929	6.8
151.07556	8.2
151.08627	10.8
151.11195	25.3
152.03418	84.6
152.07047	12.5
169.04964	13.6
169.07535	15.8
169.08714	8.5
169.09886	6.7
169.12236	100.0
169.97752	7.3
170.04486	14.4
170.08153	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	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93498	2.8
56.96555	5.6
58.06599	2.4
70.06548	2.3
79.05482	2.3
80.05006	3.1
82.06560	3.2
84.04492	6.6
93.07034	3.1
96.08089	4.4
98.06012	2.5
106.06542	3.8
108.08159	2.7
110.06025	10.9
110.15536	2.4
115.04681	3.5
115.05448	46.1
124.07600	14.1
131.82437	2.4
134.06012	6.3
135.08109	2.6
137.82895	2.6
142.06525	28.0
142.28169	2.5
152.03423	7.9
152.07053	19.9
153.03775	6.3
169.97728	3.7
170.06001	100.0
170.08089	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	170.1177
Annotation	Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate
Peak:m/z	Relative Intensity
55.01858	2.5
55.05494	2.3
55.93509	5.4
56.05027	3.3
56.96562	9.5
57.65057	1.5
58.06584	8.3
59.07362	3.9
60.08152	2.6
65.03934	1.6
67.05486	2.2
69.03413	3.7
69.07066	2.2
70.06573	4.5
72.08149	3.8
77.53466	1.9
79.05485	15.4
80.04993	2.3
81.07043	10.2
82.06578	4.5
83.04950	2.1
84.04500	8.0
86.09702	4.5
91.05466	19.0
93.05795	3.8
93.07036	100.0
94.06553	1.9
95.04964	6.8
96.08118	9.2
100.07605	2.9
105.07022	3.8
106.06566	4.0
107.08591	61.3
109.06535	6.7
110.06042	10.7
110.09711	2.3
110.27013	2.0
111.08094	9.7
124.07594	26.9
125.06010	2.0
127.23592	1.8
128.95143	2.6
134.06015	6.5
135.08047	22.4
141.05388	2.1
142.08597	3.3
152.03461	6.4
152.07080	24.1
152.10725	7.3
153.01060	2.0
153.03786	8.3
154.12279	2.1
169.97766	7.7
170.08115	18.2
170.09613	6.3
170.11731	19.6
173.97658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03986	1.6
52.82947	1.6
53.00298	4.4
55.05507	2.5
55.93511	6.0
56.96547	1.8
57.03419	2.3
57.06797	3.3
57.07068	54.8
58.06585	2.2
67.05504	3.5
69.07059	59.8
72.04516	2.2
74.06052	3.0
75.63676	1.9
79.05494	2.3
84.04490	34.6
85.06532	43.6
86.09172	5.0
86.09699	100.0
100.35343	2.1
100.42315	2.0
102.09174	25.0
110.06045	3.6
111.98491	1.9
114.09164	11.7
123.04057	3.2
124.07587	5.9
128.95103	6.2
130.04993	14.6
138.43668	2.3
146.96164	3.3
152.07043	6.7
153.01111	2.4
153.03738	3.2
159.90915	2.3
163.03918	5.1
169.97719	12.5
170.08253	4.7
170.09726	3.6
170.15382	28.7
170.16705	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73836	56.5
53.35883	71.3
73.50603	84.3
74.11333	65.5
80.65747	77.2
84.04464	100.0
98.96059	77.0
102.49297	75.9
124.45329	82.4
133.82828	76.9
148.86693	71.2
192.74754	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	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
55.05489	1.9
60.49582	0.9
60.84241	0.9
67.01858	40.9
67.05241	1.1
67.05500	11.5
71.01342	9.4
79.05492	6.4
83.04975	7.2
84.04509	9.8
86.09704	1.3
95.04967	2.0
107.04942	29.3
107.71895	1.1
109.02872	53.2
109.03621	2.5
109.06502	1.6
111.04435	29.2
119.96848	1.5
127.67949	1.1
129.05473	1.7
130.04938	6.4
135.04411	28.6
153.04179	1.5
153.05457	63.5
171.06516	100.0
188.67804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	[1S-(1alpha,2beta,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol
Peak:m/z	Relative Intensity
55.05498	3.5
55.63243	1.0
56.05017	1.9
56.96555	2.4
63.85268	1.1
67.05536	1.2
68.93880	1.5
69.07044	3.4
71.08619	18.1
72.04498	5.8
74.32736	1.2
81.07038	4.2
81.85935	1.5
83.08602	3.4
84.04492	100.0
87.66051	1.5
89.07129	7.0
93.07024	2.3
97.06524	4.5
99.08076	10.6
109.10075	1.8
111.08081	2.5
113.38169	1.4
130.04990	42.1
130.05890	2.7
135.11772	1.9
171.13739	34.2
171.14848	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	171.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00207	1.4
52.88598	1.5
55.05505	13.6
56.96563	4.6
57.03431	1.6
57.39067	1.3
59.49477	1.9
62.69804	1.5
65.52562	1.3
72.04507	100.0
73.02908	2.2
77.89568	1.6
83.08608	23.2
84.04489	12.1
89.07149	70.8
97.02966	1.9
98.97565	2.6
130.04974	4.0
132.02834	1.9
138.79359	2.4
140.00169	2.4
152.54507	1.9
154.22533	2.0
171.14919	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38678	3.2
55.01869	4.3
55.05509	4.9
56.05016	7.8
56.96559	100.0
57.03416	17.7
58.06594	4.5
59.97314	3.7
61.02918	15.3
67.05473	7.5
69.03417	15.1
69.07061	18.0
70.02943	8.0
70.06580	8.0
70.76386	3.9
72.93777	13.7
73.02906	33.3
75.52665	4.6
76.97517	3.9
80.04976	5.8
81.03399	10.5
83.05022	5.6
84.04489	18.9
84.08126	10.8
85.02908	42.4
85.04823	5.4
86.09700	94.8
88.11259	20.5
90.94816	6.1
94.06550	5.5
97.02885	11.3
97.99174	16.7
98.06044	13.3
98.97585	33.8
104.03475	14.4
112.03941	26.0
112.07598	11.5
113.96410	11.1
116.03429	16.4
116.98628	12.8
124.07593	4.9
126.05499	12.6
126.09148	18.9
127.03909	7.5
134.99638	6.0
135.70421	5.2
139.01778	8.5
140.00154	23.9
154.08615	8.1
154.99060	5.9
158.01260	14.0
170.01344	8.4
172.09715	29.0
172.10966	6.7
172.13365	9.0
172.95651	6.3
172.97705	4.5
181.02873	14.9
194.01419	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	172.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05511	14.2
56.05034	12.9
56.96560	51.6
58.06585	11.6
59.43576	2.0
65.92612	2.8
67.05492	14.7
68.05818	2.2
69.38523	2.1
70.06580	6.8
71.95258	4.7
72.08147	36.1
79.05444	4.3
81.07037	4.4
83.80165	2.6
84.04501	12.2
84.08136	99.3
85.02921	4.1
85.04822	7.9
85.08462	4.7
88.07600	2.9
88.11261	7.6
90.52690	2.8
91.05460	7.1
91.70932	4.8
93.07038	8.1
94.04162	6.0
95.04958	23.8
95.08609	30.8
97.14036	2.6
97.99185	10.6
98.06044	2.8
99.62419	2.2
102.08131	6.3
103.05469	5.5
106.06512	12.2
107.04947	100.0
108.05244	4.0
108.08133	3.0
112.11241	14.2
117.45010	2.5
118.06545	6.7
119.07299	12.6
120.08138	12.4
121.06512	24.5
123.08062	7.5
126.05506	4.8
126.09206	4.4
130.04991	3.5
130.08649	6.5
131.05331	6.8
131.39314	2.3
132.08072	16.0
133.08870	11.5
139.01808	13.8
144.06566	2.9
146.09691	11.4
160.11176	6.3
162.12781	3.9
172.09691	7.8
172.11147	4.5
173.12105	4.0
174.12807	11.5
184.02759	5.9
186.12790	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	173.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	3.0
55.05494	5.8
57.07070	100.0
57.07354	5.4
59.10032	1.8
59.23445	2.0
61.00851	3.3
61.01143	62.7
71.08622	80.6
72.93211	2.3
75.02717	2.4
83.04958	4.5
84.04517	2.8
86.09695	7.1
98.98463	4.4
101.06040	3.5
111.04453	3.4
127.71365	2.2
139.98724	2.5
152.71243	2.3
172.95627	3.7
173.08432	5.5
173.13565	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.05501	3.9
56.05020	10.4
56.96545	6.7
57.03443	3.3
57.05798	2.8
58.02946	4.7
58.06586	10.1
60.04521	5.5
63.40991	1.9
67.05495	2.4
68.05009	7.1
69.03423	2.2
70.06585	13.1
72.04507	3.8
72.08143	6.7
74.06066	4.1
82.06576	19.4
84.04507	15.8
84.08134	5.3
86.06063	49.7
86.09710	11.1
87.10016	7.2
88.85632	2.1
92.10923	2.2
94.02937	2.1
96.08130	2.8
97.02920	2.4
97.40690	2.4
100.07621	25.4
101.04737	15.9
102.05540	8.2
110.06039	18.1
110.09661	4.0
111.04424	2.7
111.98487	2.5
114.05533	17.7
126.42020	2.0
128.01686	7.6
128.02679	2.7
128.07077	100.0
128.10699	26.2
129.02431	2.5
132.06564	12.0
137.10176	2.2
146.08157	4.4
156.06651	2.9
173.98520	2.2
174.02193	6.5
174.07632	22.5
174.09033	4.0
174.11235	8.1
174.12689	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	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37004	1.0
56.96556	1.8
57.07070	21.4
58.06573	5.5
62.06085	15.7
70.93027	1.2
71.08620	14.2
71.46999	1.3
72.94591	1.3
99.69687	1.2
128.07074	1.8
141.47618	1.3
144.48167	1.4
150.96906	1.8
156.17456	13.0
174.12718	2.8
174.18527	100.0
185.16321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.13001	2.2
55.01860	3.0
56.96571	3.3
60.05627	4.9
67.05466	3.0
70.06567	8.7
70.65730	2.2
71.56586	2.3
72.65179	2.3
79.05463	7.0
81.07033	7.9
83.89473	2.9
88.07925	2.7
91.05466	15.1
91.51134	2.5
97.67153	2.7
98.12965	2.5
98.98489	4.8
105.07009	11.4
113.87721	2.6
116.97211	3.0
119.08553	12.4
129.07004	9.5
130.56834	2.6
131.08562	10.7
133.10054	3.5
136.45915	3.0
147.08067	2.8
147.11662	3.3
157.10138	7.5
159.81252	3.1
175.11162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
52.04788	0.9
60.05343	1.9
60.05642	40.0
70.06583	100.0
71.04968	2.1
72.08141	4.5
80.98360	1.0
84.08126	2.3
85.33272	1.0
112.08745	3.7
116.07085	27.5
130.09755	14.4
157.10872	1.5
158.09239	9.3
169.91139	1.1
175.11893	26.0
175.14233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05641	31.8
61.55314	0.9
70.06582	100.0
70.73478	0.9
71.04945	0.8
72.08140	2.7
74.79324	0.9
78.13026	0.9
103.35088	1.0
112.08720	4.8
115.11038	1.2
116.07087	24.8
130.09760	10.0
154.08636	1.0
157.10803	1.1
158.09230	5.6
175.11887	22.1
175.13306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	38.2
68.90052	0.9
69.64199	0.9
70.06584	100.0
71.04977	1.5
72.08139	4.2
81.36499	1.0
91.06060	0.9
108.81087	1.0
109.23578	1.0
112.08714	4.1
116.07086	26.5
130.09760	11.5
158.09187	5.7
171.99536	1.0
175.11905	27.5
185.60828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Arginine
Peak:m/z	Relative Intensity
51.73195	1.0
58.08617	0.9
59.28556	0.8
60.05343	1.7
60.05642	32.9
70.06582	100.0
71.04984	1.5
72.08140	3.7
88.07556	0.9
90.79640	1.0
90.95278	0.9
97.20745	0.9
112.08714	4.0
116.07086	21.4
116.07872	1.9
122.72501	1.0
130.09763	9.0
130.50075	1.0
131.47781	1.0
158.09224	6.6
165.05104	1.2
175.11891	21.3
175.13322	1.8
181.15915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.78804	0.7
55.05507	7.6
57.07063	1.2
64.36343	0.7
67.05484	2.6
68.09529	0.7
69.06683	1.5
69.07056	26.8
79.05473	2.3
81.07047	4.9
83.08626	4.7
91.05473	11.7
93.07035	3.0
94.69106	0.7
95.08599	4.8
103.05482	1.5
105.07026	26.5
107.08600	5.3
117.07001	3.2
118.17943	0.8
119.08573	87.4
121.10127	4.3
122.19578	0.7
123.75542	0.9
131.08585	5.4
132.09340	1.3
133.10123	67.1
145.10120	8.4
147.11673	11.9
160.12447	2.6
169.98904	0.9
173.13261	2.9
175.14807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10058	4.2
53.99494	3.4
55.15517	3.7
66.44768	3.8
78.04685	10.7
85.12384	3.5
89.03905	100.0
91.05473	6.0
106.04164	7.8
113.43940	4.6
117.03366	94.6
130.06540	9.2
134.03641	14.6
134.41385	4.7
135.04419	8.7
145.02832	74.3
149.05951	46.9
157.43115	4.4
158.05998	46.9
162.03082	5.1
162.75177	4.6
177.05453	65.2
186.05487	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
59.08678	22.6
62.38157	17.8
70.36816	17.2
89.03906	58.7
91.71651	29.4
112.87399	20.2
117.03381	87.5
134.03644	28.0
141.31799	25.2
145.02852	38.1
149.05978	41.4
177.05455	75.7
186.05527	100.0
194.28265	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.13012	3.0
53.46672	4.0
54.07870	3.3
57.53847	3.8
66.67297	4.0
67.05492	4.9
68.16789	3.5
69.31952	3.2
79.05489	3.8
81.07050	4.7
91.05467	23.5
93.07008	5.4
95.08591	5.4
105.07000	19.8
107.08599	11.2
107.53542	4.0
117.07024	8.0
117.95031	4.1
119.08577	63.8
121.06555	4.2
121.10130	13.7
122.07259	7.7
130.85349	4.0
131.08623	7.2
133.10127	18.7
134.10866	6.8
135.08055	18.7
135.11687	4.9
137.09621	61.0
149.09633	4.4
149.13252	19.0
161.09581	22.4
177.12732	100.0
185.39255	4.1
190.18062	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.00283	1.5
55.57574	1.3
56.72839	1.3
63.90060	1.3
67.05491	1.9
70.55841	1.2
79.05486	2.2
91.05477	19.0
93.07016	4.5
94.95441	1.7
95.08607	1.9
103.05398	2.3
105.07020	13.7
107.08585	4.7
109.10121	3.2
115.05415	2.2
117.07020	7.6
119.08572	51.1
121.06480	2.9
121.10110	4.1
122.07266	4.2
122.19789	1.6
125.89085	1.8
129.06929	2.1
129.23560	1.6
131.08524	3.7
133.10135	19.7
134.10883	6.8
135.08046	15.7
135.11632	1.8
136.08809	2.3
137.09608	52.1
144.09285	2.9
145.57204	1.8
147.08018	2.0
147.09157	5.8
149.09579	6.0
149.13260	14.1
159.11636	2.8
161.09575	17.8
174.08128	2.0
177.05466	1.9
177.12729	100.0
178.08626	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	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38564	4.4
55.05496	15.5
66.22553	4.1
67.05496	7.0
69.07069	28.3
71.10117	4.5
71.22974	5.2
79.05485	18.5
81.07050	35.5
82.70782	5.0
83.08601	15.2
85.10152	5.8
89.03895	10.8
91.05466	12.4
93.07029	53.4
95.08591	74.9
97.10161	7.9
107.08588	77.3
109.10155	17.3
117.03394	12.4
121.10127	100.0
135.11700	17.6
135.33157	5.6
140.04759	5.3
147.04158	5.5
156.21284	5.4
170.66881	6.3
177.16374	72.9
178.68193	5.1
186.05478	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
54.88622	2.3
55.05499	13.2
61.34328	2.6
67.05493	9.9
67.17400	3.3
69.07056	28.9
76.24866	2.6
78.07046	3.0
79.05482	11.0
81.07056	38.6
83.08583	15.4
85.83475	3.7
91.05479	10.2
91.98492	3.0
93.07033	42.2
95.04959	5.0
95.08600	63.6
97.10166	6.4
105.07034	6.8
107.08590	69.1
109.10162	12.7
119.08531	2.9
121.09274	6.5
121.10139	100.0
135.11673	17.1
149.13242	4.1
177.10173	4.1
177.16377	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.18737	5.6
50.32970	6.5
54.13718	5.9
55.05503	10.5
59.96852	6.2
67.05493	9.3
69.07061	28.6
71.13567	7.5
75.67238	6.8
75.70419	6.9
79.05493	17.7
81.07042	30.2
83.08593	18.0
91.05492	18.8
91.71604	6.5
93.07043	61.6
95.08589	51.6
107.08597	67.9
109.10168	13.7
121.10140	100.0
131.11513	7.3
135.11696	23.1
177.16399	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	Streptazone A
Peak:m/z	Relative Intensity
68.04996	0.5
71.86196	0.5
72.82726	0.6
91.05431	0.6
91.60099	0.5
105.06973	0.6
105.16518	0.5
109.06488	0.8
135.04414	3.9
137.05948	2.9
143.04938	1.3
145.62180	0.5
153.95006	0.5
155.38121	0.6
162.05470	0.9
163.06238	4.9
178.08618	100.0
179.08813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.7
58.81289	0.9
65.33224	0.9
71.81915	0.9
80.05030	1.3
81.24103	1.0
91.05500	1.0
94.06550	1.0
105.06980	1.6
109.06575	1.2
115.05412	1.9
119.04857	1.2
121.06486	2.8
132.08075	2.0
133.07607	1.5
135.04382	3.2
137.05978	3.3
141.79520	1.1
143.04919	1.5
149.05977	1.0
150.05452	2.7
150.09183	1.6
160.07555	1.4
161.05930	2.6
163.06253	5.6
178.05048	2.7
178.08614	100.0
179.08049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Phenmetrazine
Peak:m/z	Relative Intensity
50.07355	1.8
50.87570	2.0
56.13835	2.0
56.96539	11.4
60.69332	2.1
67.97704	2.2
70.08680	2.3
77.95640	2.3
79.05489	17.9
81.52554	2.1
90.02897	2.6
91.05436	2.9
95.04930	5.8
98.97538	2.8
100.47022	2.8
103.05434	8.8
105.07024	91.7
107.08569	4.1
119.08572	4.0
123.75399	2.7
133.06485	64.9
135.08043	28.3
151.07568	18.0
163.03867	9.3
178.08740	17.9
178.12256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	beta-PHENYL-gamma-Aminobutyric Acid
Peak:m/z	Relative Intensity
61.54044	1.5
75.07862	2.2
85.02885	3.1
91.05463	11.8
103.05443	1.7
107.04894	1.6
108.04547	1.8
115.05447	15.6
117.07010	74.1
121.06488	2.6
133.06371	2.1
135.08044	3.7
137.05962	17.5
145.06476	100.0
151.07518	4.9
155.06036	2.2
161.56783	1.8
163.07524	96.3
180.10182	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.88621	4.2
56.96552	12.9
57.06823	4.8
57.07070	32.0
59.05003	3.9
64.20325	3.8
73.94072	4.0
79.05482	10.2
81.03417	4.7
81.07061	7.2
83.04974	69.1
91.05481	5.6
91.71021	9.6
93.07044	5.8
93.98598	3.9
94.70215	4.7
95.04960	20.2
97.06524	35.1
98.97587	20.3
103.82857	4.7
107.08597	9.3
116.97237	5.7
116.98586	23.2
121.10155	12.2
125.05983	91.0
134.99666	17.8
135.11703	6.1
140.00183	26.7
145.10063	7.4
153.00684	6.1
158.01213	30.4
163.11171	100.0
165.20592	4.5
181.02823	29.2
181.12224	34.0
198.34096	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	181.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88621	4.2
56.96552	12.9
57.06823	4.8
57.07070	32.0
59.05003	3.9
64.20325	3.8
73.94072	4.0
79.05482	10.2
81.03417	4.7
81.07061	7.2
83.04974	69.1
91.05481	5.6
91.71021	9.6
93.07044	5.8
93.98598	3.9
94.70215	4.7
95.04960	20.2
97.06524	35.1
98.97587	20.3
103.82857	4.7
107.08597	9.3
116.97237	5.7
116.98586	23.2
121.10155	12.2
125.05983	91.0
134.99666	17.8
135.11703	6.1
140.00183	26.7
145.10063	7.4
153.00684	6.1
158.01213	30.4
163.11171	100.0
165.20592	4.5
181.02823	29.2
181.12224	34.0
198.34096	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05497	2.8
56.96557	6.2
57.07069	34.3
58.06554	2.1
59.04992	2.9
65.45350	2.5
67.05498	2.6
69.07034	4.4
70.13963	2.1
79.05487	9.8
81.03416	9.6
81.07050	9.0
83.04972	71.3
91.05512	3.2
93.07057	6.3
95.04968	24.0
97.06522	35.7
98.97575	9.8
105.07016	3.1
107.04945	3.3
107.08581	9.4
113.92844	2.6
116.97259	2.4
116.98596	6.9
119.08587	4.2
121.06493	5.7
121.10150	10.7
125.05980	100.0
134.99649	5.1
135.11684	7.8
139.98798	5.7
140.00185	7.1
145.10144	7.4
158.01285	15.3
163.09802	5.6
163.11168	93.8
163.12488	5.6
167.73372	3.0
176.02278	2.8
181.02843	17.1
181.12178	36.8
189.15773	2.7
193.98659	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.00455	1.6
55.01868	1.9
55.05504	2.3
56.88726	2.0
56.96574	4.1
57.07070	35.4
57.19189	1.8
57.93568	2.0
59.05007	2.2
67.05501	3.4
68.40659	1.7
69.07053	3.5
73.99121	1.8
74.77869	1.7
77.94886	1.9
79.05492	12.2
81.03432	9.0
81.07075	7.5
83.04971	78.1
91.05498	4.3
91.71061	3.6
93.07012	10.2
95.04959	26.8
95.05442	2.1
95.62597	2.1
97.06523	35.4
98.97627	3.3
107.04967	4.1
107.08641	8.4
116.98663	4.2
119.08658	3.4
121.06484	2.8
121.10139	10.3
125.05990	100.0
135.11763	5.2
139.98837	3.8
140.00258	2.3
144.08386	2.6
145.10086	11.0
158.01286	4.5
163.11171	96.2
176.16005	2.3
181.02982	9.9
181.12218	45.0
181.13699	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
56.96549	2.0
59.41560	1.4
60.43303	1.2
83.07354	3.8
85.02908	1.7
91.05473	41.5
95.04954	18.3
98.97607	1.8
103.05490	1.9
107.04942	2.0
108.08112	1.7
109.06532	1.8
111.59271	1.4
116.27571	1.4
118.06548	2.1
119.04935	38.6
121.06520	1.7
122.06026	3.4
123.04424	53.5
125.14073	1.5
126.09171	3.5
136.07570	100.0
138.05472	3.4
146.06055	2.2
147.04414	13.6
152.07123	2.5
154.08598	14.9
164.07083	3.5
165.05458	24.9
182.08116	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	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.00307	4.3
55.05499	8.3
57.07037	4.0
57.79905	3.8
58.02950	25.6
67.05492	20.8
69.07054	69.6
79.05456	5.9
81.07053	22.1
83.08632	5.4
84.08142	12.0
87.18301	4.3
91.71048	7.9
93.07030	9.4
100.07645	6.6
105.07021	15.4
107.08582	19.5
109.10151	52.2
114.09147	20.7
123.11710	7.7
126.09134	11.9
133.10120	36.3
135.11682	23.4
138.12790	19.6
141.75021	5.9
151.11163	11.8
153.12755	14.8
178.58380	6.1
182.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	3-(2,3-Dihydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
51.60190	7.0
55.01859	23.8
56.61828	7.0
56.96558	16.6
57.03430	54.4
57.03663	10.1
57.74011	9.3
58.06578	8.4
59.13705	7.8
61.02916	20.2
65.50901	7.5
67.05480	39.0
68.59094	9.5
69.03415	35.1
69.03780	7.5
70.06582	16.7
71.04976	26.1
73.02905	12.3
79.05494	16.1
81.03407	53.7
81.07045	44.8
83.04970	19.3
85.02893	47.6
91.05459	31.7
91.57952	8.3
95.04947	70.2
97.02880	17.8
99.04439	31.5
101.02375	36.3
109.02863	19.1
109.06509	71.3
110.06055	10.6
111.04453	28.7
113.05994	22.2
115.03970	9.6
119.01902	10.3
119.04953	17.8
122.06025	11.3
123.04434	85.9
136.07567	19.8
137.05974	100.0
137.07901	24.8
138.05521	14.4
141.05437	50.5
147.04395	19.7
153.05466	35.0
155.07095	20.6
155.08986	27.2
165.05464	70.2
166.04970	17.6
182.08163	36.4
183.06528	38.0
183.08438	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	183.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72138	2.2
55.01874	3.6
55.05505	5.9
56.05024	9.4
56.96560	3.1
57.03443	4.6
59.90487	2.0
67.05468	2.5
74.98998	2.5
81.07050	5.2
81.36706	2.6
83.06090	4.6
83.08621	18.3
83.43248	2.6
84.04494	100.0
85.02888	12.1
90.29779	2.7
91.05481	3.7
95.04959	8.8
98.98425	2.5
100.11244	74.6
101.96523	2.7
102.05534	3.3
104.97701	2.6
109.02885	2.6
109.06524	5.1
111.55025	2.5
116.98582	3.3
121.02907	4.3
123.04413	5.9
137.05983	10.7
141.05481	3.5
147.04382	2.7
151.52043	2.9
153.05525	2.8
165.05403	6.8
183.06573	11.9
183.14992	18.2
184.13466	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	184.0968
Annotation	Ginkgotoxin
Peak:m/z	Relative Intensity
56.96552	6.2
58.06587	4.0
59.20169	1.9
67.12666	2.1
70.06569	8.0
77.03900	2.6
77.76715	2.1
78.60400	2.0
79.05479	11.7
81.03416	4.2
82.06573	3.8
84.04507	2.1
86.09707	13.5
91.05412	2.7
94.06543	3.9
95.04964	5.2
95.06097	2.7
96.08138	2.7
98.06023	2.7
101.51855	2.0
106.06578	14.7
106.93310	2.0
107.04948	86.7
109.02879	9.8
110.06041	5.7
119.01900	9.0
119.04962	2.2
122.06045	2.5
123.04408	6.6
124.07542	3.1
124.99991	7.2
134.05992	16.0
135.03468	4.3
135.04408	43.9
136.07578	4.6
137.02948	4.0
138.05554	3.0
138.09145	7.6
138.10191	4.3
142.03458	5.6
142.91853	2.3
148.07523	3.2
152.07062	100.0
165.05110	7.1
166.05223	4.2
166.08636	9.8
184.04543	3.9
184.07300	5.9
184.09633	14.8
184.11172	2.8
194.12125	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	184.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77968	1.2
54.01800	1.3
55.05507	16.1
56.96548	1.2
57.03425	5.0
60.08814	1.2
70.06580	4.4
83.08162	1.8
83.08613	25.1
84.04505	15.7
85.02895	100.0
94.06564	1.9
97.53105	1.4
100.10638	2.7
100.11251	36.2
101.11604	1.8
102.05531	40.8
110.06052	2.4
122.06022	1.9
124.99931	1.6
138.09169	3.3
138.10242	2.4
138.64029	1.7
166.08574	1.7
166.09775	4.8
166.56445	1.6
184.09685	4.8
184.13304	47.8
190.58775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80889	2.3
54.39980	2.5
55.05507	43.7
56.96558	4.7
57.07069	46.1
58.06576	2.8
60.95133	2.6
60.95845	34.1
62.00752	2.3
66.16373	2.0
71.14828	2.0
71.15247	2.7
73.58955	2.2
74.06116	2.4
78.96963	2.5
83.08615	32.0
85.06537	29.9
85.06919	2.4
88.74777	3.0
89.61448	2.9
100.11253	100.0
101.95067	10.9
101.98509	4.3
102.09173	22.4
102.96906	7.3
114.09209	7.5
119.96085	3.4
120.97945	8.3
122.06054	3.0
134.06085	4.6
137.97098	3.7
138.09140	3.2
138.99052	5.1
142.97742	3.1
143.01183	3.6
143.99550	11.4
144.02406	5.4
152.07115	3.5
160.98784	7.0
162.00475	12.5
162.03500	5.0
165.05128	3.1
166.08685	3.9
184.00337	5.7
184.02971	6.5
184.09723	6.5
184.16953	18.9
185.00781	2.9
185.02052	13.3
188.04482	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	5.6
56.96558	7.3
57.07067	33.8
60.95124	4.5
60.95848	35.9
69.03448	2.6
71.95241	4.2
73.47453	2.7
80.05003	4.5
85.10175	89.8
91.71601	4.6
98.26137	3.1
99.24265	2.7
100.07602	10.7
101.95030	7.1
101.98470	6.1
102.96871	10.7
119.96056	4.1
120.97911	4.0
134.06042	5.5
136.57310	3.0
137.97040	3.5
138.99025	4.1
142.03525	3.6
142.97682	5.8
143.99492	6.1
144.02341	4.6
152.07077	5.7
160.98712	8.7
162.00529	7.4
162.03456	3.9
166.08635	3.4
184.00356	11.5
184.02988	4.1
184.09772	4.5
184.16966	100.0
185.02083	19.9
202.01350	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77270	22.8
56.81563	18.8
59.12568	22.3
73.13464	29.6
119.01913	39.4
120.02036	76.0
121.01644	43.5
122.84568	26.9
139.02701	38.0
142.03516	45.5
143.03601	71.6
144.03288	100.0
144.05113	32.4
165.05136	56.2
166.05156	54.8
167.04901	98.0
175.88951	29.9
191.42706	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	185.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	6.3
54.95798	4.4
55.05500	15.1
56.96560	76.7
59.52794	4.6
60.95837	38.3
67.05473	16.5
69.07043	14.4
73.06551	12.0
79.05479	32.1
81.07048	26.0
91.05465	23.5
93.07055	45.1
95.04976	11.3
95.08595	10.5
97.99182	8.0
98.06033	9.0
102.96852	44.4
107.08593	12.8
115.50416	6.1
120.02409	8.4
120.97903	40.4
121.00818	8.4
127.10552	7.0
138.98949	28.1
139.01813	23.7
143.99471	62.2
144.02324	38.1
147.87076	6.2
161.09669	6.8
162.00523	68.1
162.03389	37.4
165.73328	6.1
175.80391	5.9
180.01675	7.1
185.02127	100.0
185.04886	12.9
185.09845	7.7
186.02534	8.2
203.03226	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.74474	1.1
53.00286	1.4
55.01857	3.8
55.05501	13.6
56.96561	10.2
57.03410	1.8
57.07071	7.3
59.04988	13.7
60.95832	3.3
67.05489	6.4
69.03416	19.8
69.07063	13.4
71.04979	1.7
79.05491	8.8
80.84138	1.2
81.03391	1.7
81.07046	17.0
83.04974	100.0
83.08610	3.0
86.09715	4.1
91.05466	6.5
93.07041	17.0
95.04958	4.8
95.08589	14.0
97.02824	1.5
97.06525	30.5
97.10178	4.4
98.06084	1.4
102.96867	7.7
103.97927	1.2
104.46595	1.4
105.07053	9.5
107.08593	25.2
109.06512	6.2
109.10160	5.5
111.04424	16.9
111.08061	2.8
119.08574	5.3
120.97916	4.9
121.00783	2.6
121.01705	1.8
121.06509	2.3
121.10140	46.4
122.07262	4.5
123.08087	5.7
125.05981	1.8
125.09635	19.1
127.00694	3.4
137.09602	28.8
138.88426	1.6
138.98955	4.7
139.01843	4.5
139.11171	18.8
139.12151	2.2
140.07173	2.3
143.99512	6.1
144.02310	3.4
149.09584	9.5
162.00549	6.3
162.03412	5.0
167.04858	2.7
167.08386	1.6
167.10672	39.9
168.03366	1.9
185.02200	7.6
186.03406	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	185.1536
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.63486	2.0
55.05506	6.9
57.07055	3.5
57.93842	2.3
60.95839	4.0
67.05502	21.8
69.03407	3.5
69.07063	31.9
69.09610	2.3
70.06580	2.9
71.04977	3.3
73.44101	2.6
78.44747	2.3
79.05489	4.3
80.13293	2.5
81.07046	31.5
83.08620	6.6
84.04503	3.9
85.02895	8.8
85.06528	7.5
87.04526	2.5
87.06336	2.3
91.05460	6.1
93.07036	31.1
95.05008	5.3
95.08611	21.9
97.06522	9.3
98.06035	3.2
99.08088	3.9
99.70626	2.9
102.96870	8.4
105.07029	4.9
107.06046	3.3
107.08591	65.1
109.10164	44.4
111.04456	4.8
111.08069	8.7
112.07581	3.3
114.05544	9.5
119.12925	2.5
120.97899	3.9
121.06529	3.2
121.10143	41.4
122.06028	15.5
123.08099	2.6
123.11703	100.0
126.05532	8.1
130.97156	2.9
137.06978	2.8
138.05507	2.9
139.01834	5.2
139.07510	4.5
140.07080	6.1
142.10225	3.0
143.99550	6.0
148.43584	3.1
149.07126	3.9
149.13239	41.5
160.05307	2.9
162.00571	5.6
162.03471	3.7
167.07001	4.8
167.14311	49.0
168.06590	3.7
185.02225	6.8
185.15341	23.3
186.03532	3.5
186.07681	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	186.0761
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
54.96729	1.9
55.01862	2.7
57.03421	3.4
59.13844	2.3
61.02947	2.5
65.01658	2.0
69.03416	4.2
69.88174	2.1
72.04487	2.3
76.23917	2.1
80.04994	4.8
84.04495	23.6
85.02898	60.4
91.26636	2.3
94.06528	3.4
97.02888	3.0
98.06041	7.3
99.04449	3.6
108.04487	5.1
109.05257	12.8
109.31882	2.2
110.06036	3.8
112.07619	6.5
113.04759	3.4
114.05523	82.0
122.06022	100.0
124.03979	5.4
125.04713	9.0
126.05514	38.4
127.03908	5.4
128.37364	2.4
138.05504	30.9
140.07063	10.3
144.06577	6.0
145.04900	3.3
150.05475	15.2
150.51137	3.1
163.01892	3.8
168.06561	17.8
184.66757	2.6
186.07607	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	188.1758
Annotation	N1-Acetylspermidine
Peak:m/z	Relative Intensity
56.44122	2.0
56.96557	3.9
58.06591	28.2
60.04509	2.8
60.08121	2.0
69.85901	2.2
70.06580	6.3
72.04485	6.0
72.08145	100.0
72.16556	2.1
75.01287	2.2
76.24614	2.3
78.26707	2.5
83.77808	2.2
84.04478	3.0
84.08134	21.5
87.04469	3.6
92.75289	2.1
100.07612	49.5
110.06030	3.5
111.46493	2.2
112.11195	15.1
114.09164	47.3
117.10262	4.0
119.01933	4.5
128.07079	7.0
130.03520	2.7
131.11763	4.5
141.82016	2.6
142.03488	5.2
143.11845	4.3
158.01314	3.0
158.02866	2.8
165.05116	6.2
171.14922	49.7
188.17569	60.1
197.07693	3.2
199.05652	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	189.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.6
56.05003	1.2
56.96548	6.5
57.03399	1.3
59.44279	1.2
63.85891	1.3
67.05477	1.4
69.03435	1.8
69.07055	4.7
70.06581	2.5
70.46463	1.3
72.08146	74.7
74.01067	1.4
74.06056	1.6
75.05590	3.0
76.67236	1.2
79.61104	1.5
82.06556	1.6
84.04487	4.5
84.08130	6.9
86.06037	2.9
86.09698	100.0
87.04440	1.6
89.62363	1.3
91.95718	1.5
118.08646	2.3
126.09236	1.8
132.10213	5.9
142.12282	4.9
143.11795	4.3
151.29074	1.5
189.05246	3.0
189.06700	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1121
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
50.96985	6.0
52.41679	5.9
55.01866	6.7
55.05499	30.4
57.03430	47.7
57.07068	96.9
57.92655	6.0
60.13073	6.1
61.02921	14.5
66.08801	7.2
66.29014	6.3
67.05492	23.8
69.03426	11.9
69.07063	39.2
71.04948	7.8
73.02912	14.3
75.79542	7.6
75.89445	6.4
79.05489	17.7
81.07049	56.2
83.04966	14.4
83.08593	11.2
85.02897	29.8
85.06552	41.7
91.71697	15.2
93.07037	15.2
95.04996	8.4
95.08609	11.5
109.06505	8.4
111.04456	8.0
111.08104	18.0
122.24679	8.0
127.07564	100.0
128.29469	7.0
153.09128	31.1
160.40318	8.2
167.94505	7.9
171.10260	9.7
189.03125	8.5
203.73509	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89714	1.8
56.96561	11.6
67.05502	2.4
69.03416	3.8
69.07047	2.8
71.84395	1.8
79.27861	1.9
87.49985	1.9
91.05476	6.7
95.04951	2.7
105.07029	11.5
109.06454	2.1
117.06976	4.6
119.08589	15.5
128.06207	5.1
129.06967	4.4
129.23735	2.1
130.07758	3.1
130.70578	2.3
131.08534	7.0
133.06462	3.3
133.10173	3.6
137.05995	2.7
141.06967	11.9
143.08546	5.1
144.09315	2.7
145.10126	19.1
147.08022	3.8
147.11716	12.6
155.08598	3.6
156.09335	63.7
159.08049	6.0
159.11685	16.5
171.11674	66.5
174.10356	5.4
186.64188	2.5
189.12733	100.0
191.69028	2.3
205.60880	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.4
58.06591	1.5
60.08156	29.9
67.05495	2.8
70.06582	9.7
72.08148	2.9
73.08475	1.4
74.07195	4.0
76.45503	1.0
83.75408	1.0
84.08136	100.0
85.06546	1.8
98.14035	1.1
101.07957	1.2
106.90531	1.2
111.26655	1.1
112.89664	1.2
114.89384	1.4
116.07117	2.9
130.08633	34.2
144.13908	3.0
159.51064	1.2
167.06685	1.1
172.15279	1.6
189.13452	2.9
189.14201	1.7
189.15955	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.14799	2.8
51.78640	3.3
55.05495	11.4
57.07074	3.6
67.05505	18.7
68.87011	3.9
69.07049	15.6
79.05479	11.3
81.07050	58.1
91.05463	30.6
93.07040	25.8
95.04964	4.5
95.08599	62.4
105.07018	79.2
107.08566	30.0
109.10156	15.4
119.08572	76.6
119.09360	7.2
121.10144	8.7
121.32480	4.7
131.08578	14.8
133.10112	77.4
141.05768	3.7
147.11685	41.0
161.13252	14.7
189.16362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.08770	0.8
56.96545	3.8
58.06597	0.8
63.12496	0.8
67.05473	1.6
69.11366	0.9
70.06563	4.0
71.67229	0.8
73.29697	0.7
84.08134	15.3
89.03899	2.9
91.05488	1.4
93.07045	1.3
95.04927	1.5
100.20717	0.9
103.05449	4.9
111.04411	1.3
116.04945	4.0
120.08093	19.8
121.08384	1.3
129.10257	2.1
134.06062	1.2
135.87057	0.9
149.02309	2.4
154.90810	0.9
154.98990	1.0
162.05489	100.0
185.07130	4.0
190.04980	43.6
190.08621	2.1
194.70374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.7
57.36339	3.2
65.15797	3.2
69.03402	4.9
81.03420	5.3
84.08101	9.6
91.05463	10.6
92.05808	5.2
98.97543	6.3
103.03944	4.2
115.05438	5.5
116.05776	4.5
116.98676	3.6
117.06171	8.7
117.07036	6.2
118.06536	75.5
118.07338	7.8
119.06882	49.3
119.07656	5.9
120.06507	5.2
120.07204	45.8
120.08086	17.7
128.98567	4.0
140.00204	4.3
142.06551	6.3
143.07278	10.2
144.08145	18.3
144.10138	4.3
145.08153	11.6
146.06006	53.7
146.08778	35.5
147.06314	48.9
148.06622	100.0
158.10767	3.9
172.06589	12.8
190.05026	9.9
190.07455	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	190.1074
Annotation	N-Methyl-calystegine B2
Peak:m/z	Relative Intensity
51.55666	0.4
56.05019	0.8
56.96552	0.7
58.06580	1.8
59.07368	1.1
59.45473	0.4
60.08160	0.9
61.91969	0.4
68.05021	0.7
70.06581	100.0
72.08150	0.8
74.06074	0.6
79.74579	0.6
81.03394	0.7
82.06557	0.8
84.04488	1.4
84.08131	10.0
85.06491	0.5
85.08468	2.4
94.06551	0.6
98.06007	0.7
100.07613	3.5
102.05563	0.8
110.06075	0.8
112.07613	2.5
118.91109	0.5
124.92764	0.5
126.05511	0.6
126.09136	3.2
127.09506	1.8
130.04941	0.5
130.08635	5.6
136.05188	2.2
144.06560	0.7
144.10178	4.1
159.89677	0.6
168.02361	0.8
172.09666	3.1
190.10733	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.9
56.96570	21.8
58.06601	13.2
58.23632	5.4
66.46758	6.1
66.89464	5.9
67.05491	58.1
67.05770	5.2
69.03400	7.6
69.07053	68.2
69.46532	5.3
70.06583	79.3
78.77673	5.2
81.07050	14.0
81.30934	6.5
82.37978	5.6
84.04533	7.2
84.08151	8.3
91.05463	6.8
93.07046	8.5
95.08595	32.6
97.02901	7.4
109.10149	100.0
111.11711	13.3
119.08620	10.1
130.05009	8.6
134.99748	6.5
137.09676	27.1
149.02399	9.9
154.12248	38.8
155.10677	7.4
162.05495	8.8
166.05617	7.9
172.13307	58.9
190.04955	9.1
190.08614	11.0
190.10890	10.3
190.14439	27.0
202.85820	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1026
Annotation	C20914
Peak:m/z	Relative Intensity
56.05017	5.4
58.06575	4.9
59.04984	1.5
60.08136	2.5
62.06078	78.9
65.03927	1.6
65.88120	1.6
66.54690	1.5
68.05020	2.7
68.85929	1.8
75.81252	1.9
84.04493	100.0
84.08122	2.7
85.02884	3.6
85.08460	1.6
85.12305	1.4
86.06067	4.7
91.05470	2.2
102.05515	3.2
107.04956	2.2
108.13615	1.7
110.05964	2.2
114.05511	3.3
123.22726	1.5
127.08692	2.9
128.07080	31.1
130.04987	15.4
132.06586	6.8
135.04353	2.8
135.59731	1.7
136.05197	3.3
137.26631	1.7
156.06409	2.3
173.09253	4.6
174.07579	27.9
185.35965	1.8
191.08351	2.1
191.10272	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.34994	6.1
50.81960	5.4
56.96547	17.4
61.70874	5.9
65.34597	6.7
67.05491	16.5
69.07037	7.9
71.04266	6.2
71.04976	15.4
71.44640	6.1
79.05481	10.9
81.07050	13.9
91.05484	24.2
93.07043	18.6
95.04981	17.7
95.08620	13.1
103.05507	7.9
105.07021	33.6
107.08583	29.5
109.06503	69.2
109.10148	71.4
117.07035	13.0
119.08574	10.0
121.10127	13.3
123.08059	22.6
131.08592	47.0
133.06503	7.4
133.10124	78.1
135.08038	100.0
145.06445	9.0
145.10132	16.9
146.81024	8.1
149.09575	10.4
149.13268	8.4
173.13248	39.7
178.97278	7.7
191.06850	16.7
191.10695	11.0
191.14282	67.4
192.06543	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.24400	2.0
55.05514	1.9
56.96569	1.8
60.69863	1.6
67.05490	6.0
69.03423	2.2
69.07046	2.3
71.04970	6.3
79.05476	5.0
81.07035	7.4
85.06528	2.4
89.77463	1.9
91.05480	6.7
93.07045	8.9
95.04972	6.7
95.08581	6.7
97.06534	5.3
105.07021	21.9
107.08590	7.8
109.06507	21.0
109.10137	20.5
115.05440	3.6
117.06995	3.8
117.52361	2.0
119.08611	3.9
121.06517	2.6
121.10154	2.9
123.08065	7.3
129.06996	2.0
131.08571	22.1
133.10124	100.0
135.08046	25.2
143.08565	4.4
144.09261	2.5
145.10120	7.9
147.11713	4.2
149.09662	3.9
158.10921	5.9
170.80995	2.4
173.13260	36.8
184.80547	2.0
187.52995	1.9
191.14276	22.2
198.42569	2.2
205.69389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05518	17.2
55.77999	11.8
56.96544	45.7
59.52542	11.7
60.76643	12.4
61.06752	11.8
61.68608	11.7
67.05511	27.9
69.03399	15.3
71.04971	16.8
79.05488	16.0
81.07028	26.4
83.05013	18.9
91.05476	43.3
91.71461	27.3
93.07047	30.6
95.04972	38.6
105.07034	30.9
107.08593	57.6
109.10158	23.3
117.06957	16.2
119.08526	14.5
121.10097	24.3
123.08126	17.6
130.35226	14.7
131.08488	17.2
133.10184	26.7
135.08070	27.8
145.06439	17.8
147.08101	15.9
163.07562	18.0
173.13258	36.5
191.06824	31.0
191.08321	22.9
191.14319	100.0
192.06506	27.3
192.10168	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27687	6.6
52.66446	6.6
67.05477	26.4
71.04980	34.4
79.05493	17.1
79.18042	6.6
81.07042	16.4
85.06528	9.7
91.05468	22.8
93.07019	16.3
95.04940	17.3
95.08625	10.4
105.07027	32.4
107.08586	31.8
109.06517	95.6
109.10144	100.0
112.95909	7.7
117.07014	17.7
119.08539	13.2
121.10133	13.6
123.08076	63.8
131.08575	52.7
132.51527	8.2
133.10115	44.5
135.08031	89.8
149.09581	15.7
149.72110	11.0
158.10822	15.6
162.24539	7.8
173.13211	54.6
191.14276	79.1
200.88608	10.7
204.47366	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07998	2.7
55.05503	7.5
55.85052	3.4
56.96560	3.7
62.98822	3.3
67.05195	3.2
67.05500	24.8
69.03412	9.5
69.07050	12.2
71.04989	30.4
77.09950	3.2
79.05488	5.4
81.07036	15.8
85.06514	5.8
89.19556	3.8
91.05460	22.6
93.07032	14.9
95.04947	12.3
95.08607	11.3
97.06564	4.3
105.07024	33.0
107.08588	46.2
108.90917	3.3
109.06506	59.5
109.10147	82.0
113.09584	3.7
115.64516	4.0
117.07011	5.8
119.08591	15.2
121.06544	6.5
121.10127	49.1
123.08077	30.3
131.08562	41.2
133.10120	100.0
135.08047	60.6
137.09590	9.4
145.10115	8.8
147.11659	17.6
149.09668	6.9
149.13272	13.4
158.10904	9.2
173.13272	37.4
176.92284	4.0
191.14293	85.2
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
54.46245	3.8
55.05515	5.4
56.96552	11.0
67.05489	6.5
69.03420	19.6
72.12786	3.4
79.05494	12.3
81.07046	22.1
87.33366	4.3
91.05470	13.2
91.81638	3.7
93.07030	10.7
95.08664	3.9
103.25963	4.3
105.07059	13.6
107.04956	11.4
107.08577	30.9
109.06503	6.4
109.10175	7.3
115.05438	5.4
119.08610	4.9
121.06538	6.3
121.10146	13.7
123.08096	3.8
123.60939	4.5
128.00027	3.9
131.08559	6.5
133.10121	100.0
135.08035	6.7
137.09616	15.6
143.89064	4.6
145.10072	4.7
148.07594	5.0
149.13246	8.9
150.02702	8.4
173.13216	5.9
185.05855	4.1
191.06830	7.4
191.08325	5.9
191.14291	24.1
192.06508	6.7
194.45129	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01866	3.0
55.05511	5.1
56.96572	6.3
57.03449	3.6
57.07071	3.6
57.10565	2.6
58.56052	2.3
59.04992	3.4
65.03938	2.9
67.05519	12.6
67.12984	2.6
69.03432	3.9
69.07072	16.4
71.05000	10.2
72.14053	2.7
76.51952	2.7
79.05521	6.3
81.07062	12.9
83.05027	4.0
83.08630	4.0
85.06548	3.7
86.40708	3.1
86.89041	2.9
91.05466	25.2
93.07045	22.7
95.04970	18.7
95.08623	12.1
97.06519	7.6
103.07522	2.8
105.07024	42.2
107.08578	22.9
107.28342	3.0
109.06500	23.4
109.10188	13.0
115.05516	4.6
117.06261	2.7
117.07002	6.7
119.08574	15.4
119.84202	2.9
121.06544	4.3
121.10143	20.8
123.08135	8.5
123.11668	15.4
126.23672	3.2
129.07018	4.9
131.08543	26.8
133.10124	100.0
135.08025	29.4
143.08620	4.6
145.10081	16.0
147.11703	4.1
149.09624	6.1
149.13264	18.1
158.10979	10.8
173.13248	43.1
173.14517	4.1
191.08315	8.4
191.10629	3.9
191.14293	36.5
191.15706	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	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
51.32056	0.7
56.96300	1.1
56.96560	16.7
57.03420	1.2
61.02921	0.9
65.03928	2.0
67.05469	0.7
69.03419	2.0
72.04508	3.8
72.04860	0.7
72.34967	0.6
73.02900	2.3
75.02351	0.9
81.03384	0.9
85.02887	2.3
86.09688	0.6
87.30170	0.7
91.05474	9.0
93.07022	1.5
97.02885	0.9
97.99185	4.2
98.97572	3.5
100.07604	5.7
107.08575	2.3
109.06519	11.1
116.00226	1.9
116.98588	1.3
118.06536	0.9
119.04935	100.0
129.08157	0.7
132.08104	1.3
135.11705	2.0
139.01782	3.8
140.00177	2.9
146.05971	1.2
148.45045	0.7
150.38780	0.7
158.01242	1.4
162.54723	0.9
163.11166	8.1
171.55251	0.9
174.05600	0.8
181.02890	1.4
192.06453	4.6
192.10124	4.9
192.13818	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	192.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61498	1.2
56.96551	8.7
68.67952	1.5
69.07041	2.1
70.06568	1.4
81.03403	1.4
86.09695	12.8
91.05472	100.0
91.71632	1.6
95.04980	1.7
100.11243	30.1
105.74857	1.5
113.96336	2.0
114.10305	1.3
145.92378	1.6
146.06041	4.7
148.07605	3.3
148.50578	1.5
150.96892	2.1
155.97406	2.5
164.07019	3.3
169.99144	1.7
173.98499	1.8
192.06580	7.1
192.10156	1.9
192.17456	40.4
193.00621	2.4
197.00099	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	193.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82600	1.8
56.96561	60.7
57.07052	2.6
59.91363	1.5
61.09484	1.4
65.08624	1.6
65.33208	1.7
67.91127	1.8
71.95242	2.5
72.23594	1.6
75.99116	1.6
87.49986	1.7
91.05460	2.3
91.70838	1.6
96.47604	1.7
97.99169	5.3
105.07030	2.6
110.97553	19.9
115.05441	2.1
116.00208	2.2
121.06503	2.4
128.98598	39.7
131.41357	2.0
137.05917	1.9
138.22362	2.5
146.99644	38.4
152.00183	49.7
165.00690	4.1
170.01248	58.0
173.12074	2.1
188.02219	5.4
193.02840	100.0
193.59685	1.9
194.03136	3.9
211.03903	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	193.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	100.0
57.07040	11.3
67.05495	22.6
68.72556	10.2
69.03440	16.1
69.07042	14.1
79.05476	11.9
91.05466	33.1
95.04958	11.4
97.99162	17.3
105.07053	22.2
109.06560	12.6
128.98650	16.1
132.25114	15.1
135.11761	14.2
142.34656	12.7
146.99614	14.1
147.08055	19.6
148.07506	19.3
152.00224	34.1
170.01259	40.3
193.02908	45.0
193.04936	55.2
193.06770	14.3
193.08469	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.02647	4.2
55.05494	9.7
56.96540	4.9
57.07060	11.3
65.78346	3.9
67.05488	13.1
69.07062	22.0
71.04980	15.0
71.48893	3.5
72.83080	3.9
73.77609	3.5
79.05433	3.9
81.07043	21.1
85.06548	8.3
91.05473	14.6
93.07024	25.9
95.04944	29.8
95.08605	23.1
97.10160	10.5
99.08089	7.6
105.07035	7.7
107.08588	30.3
109.06522	100.0
109.10154	17.6
111.08071	8.4
119.08562	21.1
121.10158	8.2
121.26425	3.7
123.04306	5.1
123.08052	3.8
123.11708	25.8
133.10123	21.0
135.11673	24.4
137.05960	5.1
137.09668	10.4
149.13248	6.2
175.14809	35.9
193.02872	4.8
193.04863	6.2
193.12282	9.3
193.15871	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42068	97.1
79.79018	96.7
86.06071	94.5
106.09203	98.4
162.96567	99.7
169.97847	100.0
170.51772	99.1
174.44099	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0812
Annotation	BETAMIPRON
Peak:m/z	Relative Intensity
53.03932	1.0
62.99046	1.3
67.14903	0.9
68.04999	1.2
69.03365	1.6
70.06597	1.6
70.59383	1.0
79.05461	1.5
80.05000	4.1
81.03405	2.8
84.04490	1.8
85.02912	1.3
87.04436	3.3
91.05453	3.8
94.06557	1.8
103.05456	4.2
105.03709	3.6
106.06539	3.1
108.04472	5.0
111.04426	1.2
114.76746	1.1
117.70440	1.1
119.04990	1.6
120.08080	4.1
121.06499	6.1
122.05979	2.3
123.04366	1.6
130.06538	7.5
131.04958	5.7
133.05215	1.5
134.06010	3.3
136.07533	2.4
137.05974	9.7
138.05478	2.3
142.29907	1.1
147.04404	3.1
148.07555	12.4
149.05968	7.0
151.54559	1.0
152.07085	2.9
158.06021	4.6
159.06668	1.4
159.99684	1.1
163.06223	2.5
164.06989	1.6
166.08614	8.2
176.07031	10.8
187.82301	1.2
194.08107	100.0
194.11809	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	194.1176
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
55.01857	2.4
56.96560	11.6
63.11852	1.6
63.12193	1.5
65.03928	2.6
65.85441	1.5
69.03415	4.2
69.81160	1.4
70.06576	3.9
72.08109	4.4
79.05496	1.8
80.05006	2.8
84.04477	3.6
84.08130	11.3
85.02877	1.6
86.06046	3.9
86.09668	5.2
91.05480	29.3
93.07026	8.0
95.04954	5.8
96.04494	2.6
96.08105	1.6
97.02849	1.7
98.06029	3.8
103.05450	7.7
106.06525	4.8
107.04951	5.4
108.04441	2.8
108.93933	1.7
110.06058	3.8
111.04395	2.1
112.07574	2.7
115.05460	3.8
116.06226	6.6
116.98592	1.7
120.08062	12.4
121.06496	53.2
123.04260	2.0
123.05491	1.8
124.03846	1.8
129.06999	4.8
129.10248	4.2
130.06493	3.9
131.04901	5.1
131.07570	3.8
131.08562	73.6
134.05992	5.3
135.04329	2.0
136.07590	3.8
137.05981	6.7
138.09119	3.3
141.06961	5.5
144.05716	9.5
148.05147	3.2
148.07558	55.1
148.09441	2.0
149.05971	6.3
150.05466	5.6
150.09186	2.3
152.07040	7.4
153.05409	3.2
159.08046	80.0
166.08638	15.1
167.01625	2.1
171.49370	1.9
176.07045	14.7
177.09097	100.0
179.05742	5.0
194.00793	1.8
194.04459	3.8
194.08115	85.6
194.09764	3.0
194.11710	43.8
195.00465	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	194.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85907	19.6
51.54930	21.2
56.71450	24.7
57.99664	25.8
70.59869	29.1
76.55923	25.3
94.93028	100.0
102.16507	25.4
109.36971	25.6
124.60991	28.4
138.50482	31.9
194.94633	65.0
197.56911	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	195.1016
Annotation	Zingerone
Peak:m/z	Relative Intensity
50.71256	0.4
51.37179	0.5
52.04015	0.5
53.14178	0.5
55.01621	0.6
55.01867	10.5
56.96545	0.6
57.07045	0.5
59.04974	0.5
62.09751	0.5
68.07079	0.5
68.70493	0.5
70.06585	0.7
70.94228	0.7
71.04988	1.0
71.95241	1.9
72.93780	0.8
76.22924	0.5
79.05486	4.7
81.03397	1.1
81.07047	34.4
81.59732	0.5
91.05473	1.2
91.71635	1.2
93.07066	0.8
95.04980	0.7
107.08579	1.4
109.02882	0.7
109.06506	13.6
109.98914	1.0
113.96444	0.9
121.10146	1.7
121.87227	0.6
125.05983	2.1
135.08044	1.8
137.05971	100.0
144.63678	0.6
149.09584	2.8
149.10736	1.1
151.01572	0.8
152.07085	0.6
153.98001	0.8
154.98975	1.4
163.03929	1.3
177.05380	0.8
177.09036	2.6
177.16385	1.1
195.00600	2.7
195.10060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0639
Annotation	2-(N-morpholino)ethanesulfonic acid
Peak:m/z	Relative Intensity
50.15571	0.3
56.05020	1.9
56.05254	0.3
56.83522	0.3
57.05798	0.5
57.88797	0.3
58.06590	0.5
63.63657	0.3
68.05002	0.7
69.05795	0.4
70.06586	12.2
71.07339	0.4
72.08125	0.5
74.06046	0.6
74.42740	0.4
79.05467	0.4
84.08150	2.0
85.58344	0.4
86.06029	1.0
86.09708	0.4
87.06841	3.5
88.07632	1.0
91.05459	1.4
96.08103	0.5
99.17023	0.4
100.07611	51.1
103.05447	1.3
105.07034	3.5
108.01170	4.6
114.09164	13.2
115.05437	3.4
123.04388	0.6
131.04930	1.4
132.08009	0.5
133.06474	2.7
134.02707	0.8
134.25931	0.4
137.05981	2.6
137.71280	0.4
143.04948	3.7
145.10803	0.4
149.05983	1.4
151.07539	5.5
151.08649	0.7
152.03760	4.6
160.07570	1.4
161.05971	5.5
178.05321	0.6
178.08620	7.0
179.07001	3.4
179.88438	0.4
196.06381	100.0
196.09650	10.5
213.09039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	3.1
56.96532	2.0
58.06573	1.3
61.37952	1.1
70.06578	14.0
71.24748	1.0
72.08130	4.8
72.93753	1.6
74.19919	1.0
80.04990	2.2
81.03409	1.6
82.06548	1.2
84.04491	2.0
84.08125	3.4
86.09695	2.4
87.06811	3.3
91.05488	6.3
93.06976	1.4
94.06570	2.2
95.33838	1.3
100.07611	48.0
102.58868	1.2
103.05431	4.7
104.59260	1.1
105.07017	8.5
107.04921	1.8
108.01163	3.1
110.06065	1.2
111.64434	1.1
111.98476	1.8
114.09170	14.4
115.05450	13.0
119.04924	2.7
120.05264	1.2
122.06023	3.9
122.09657	2.7
123.07990	2.9
131.04919	8.3
132.08070	6.4
133.06477	10.2
134.06003	4.8
136.07567	2.4
137.05978	15.2
137.06955	2.7
138.06325	6.2
143.04924	13.4
149.05937	7.5
150.05478	5.2
150.09122	9.8
150.96901	1.9
151.07532	16.3
152.03777	5.1
152.07051	3.5
153.00980	1.5
155.97383	2.6
160.07559	9.7
161.05972	15.4
166.08725	1.5
168.06639	1.4
173.98497	1.4
178.07224	1.3
178.08612	62.3
179.06982	12.3
196.06378	100.0
196.09644	58.4
196.11505	2.9
196.13425	1.3
197.00143	4.4
212.69516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0969
Annotation	L-Homotyrosine
Peak:m/z	Relative Intensity
56.05035	3.1
56.96532	2.0
58.06573	1.3
61.37952	1.1
70.06578	14.0
71.24748	1.0
72.08130	4.8
72.93753	1.6
74.19919	1.0
80.04990	2.2
81.03409	1.6
82.06548	1.2
84.04491	2.0
84.08125	3.4
86.09695	2.4
87.06811	3.3
91.05488	6.3
93.06976	1.4
94.06570	2.2
95.33838	1.3
100.07611	48.0
102.58868	1.2
103.05431	4.7
104.59260	1.1
105.07017	8.5
107.04921	1.8
108.01163	3.1
110.06065	1.2
111.64434	1.1
111.98476	1.8
114.09170	14.4
115.05450	13.0
119.04924	2.7
120.05264	1.2
122.06023	3.9
122.09657	2.7
123.07990	2.9
131.04919	8.3
132.08070	6.4
133.06477	10.2
134.06003	4.8
136.07567	2.4
137.05978	15.2
137.06955	2.7
138.06325	6.2
143.04924	13.4
149.05937	7.5
150.05478	5.2
150.09122	9.8
150.96901	1.9
151.07532	16.3
152.03777	5.1
152.07051	3.5
153.00980	1.5
155.97383	2.6
160.07559	9.7
161.05972	15.4
166.08725	1.5
168.06639	1.4
173.98497	1.4
178.07224	1.3
178.08612	62.3
179.06982	12.3
196.06378	100.0
196.09644	58.4
196.11505	2.9
196.13425	1.3
197.00143	4.4
212.69516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32215	1.9
52.82920	1.7
56.96552	4.3
57.03433	2.4
67.05486	9.3
70.95851	18.3
71.01346	100.0
71.04980	5.6
72.93782	13.7
79.05490	3.8
80.05006	5.3
80.85575	2.5
81.03411	2.8
83.08609	5.1
85.10175	8.7
88.96928	3.6
91.05496	4.2
91.71690	5.1
93.07020	6.8
94.06607	2.7
95.08603	5.1
97.06516	2.8
105.07015	5.7
107.04998	2.8
107.08589	18.9
109.10151	25.1
111.08077	6.9
111.98469	21.2
113.96378	7.2
115.18980	2.7
123.08123	2.9
125.09599	14.0
127.11202	3.3
128.82607	2.6
129.99486	4.0
132.95825	10.6
134.05988	3.3
139.07477	2.9
150.96896	22.9
151.07539	2.6
151.09459	2.9
153.01094	19.6
155.10658	69.4
155.97391	27.4
173.98495	23.3
179.10667	3.1
180.02914	4.5
197.00070	57.6
197.09332	3.5
197.10056	3.5
197.11745	22.2
198.18526	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
61.95072	2.0
67.05476	8.9
70.95853	11.6
72.93762	9.9
78.25399	2.1
79.05455	8.1
81.07040	5.9
88.96901	3.6
90.94820	4.1
91.05464	30.3
91.70942	2.3
93.07032	26.0
95.04961	8.5
95.08599	3.6
105.07020	31.9
107.04950	2.5
107.08592	73.3
109.06503	6.6
109.10147	6.3
111.98480	13.9
113.96394	4.6
117.06988	3.0
119.08572	5.7
121.06489	6.9
123.04401	2.7
123.11580	2.3
131.08556	4.6
132.95827	10.0
133.10123	78.6
134.06067	2.3
135.11679	63.2
136.07501	3.1
137.05991	4.1
137.09607	7.3
147.85246	3.0
150.96835	14.1
151.11211	6.0
153.01076	11.4
155.97437	24.8
161.09590	35.6
173.98474	14.7
179.10661	100.0
180.02858	3.6
197.00096	28.1
197.11707	88.1
214.18808	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01865	8.2
55.05503	6.0
55.93524	0.7
61.79139	0.6
65.03950	0.7
67.05493	1.8
69.03405	1.8
70.95857	6.8
72.93771	4.2
79.05485	3.3
79.35446	0.8
81.07050	30.6
83.04996	1.1
88.96894	1.1
91.05473	2.4
93.07035	2.4
95.04984	1.0
95.08575	0.9
97.06512	3.4
99.04446	4.6
105.07026	3.3
107.08589	1.5
109.06513	11.6
109.10159	3.3
111.04430	3.6
111.98486	8.0
113.96393	3.1
119.08588	1.6
121.06480	2.1
123.11713	1.4
125.05988	35.3
127.03905	12.5
129.99475	2.3
132.95805	7.1
133.10123	4.5
137.05972	100.0
137.09572	5.1
143.08571	2.1
150.96886	7.3
153.01094	4.1
154.99034	0.8
155.97426	13.3
161.09625	6.2
168.06543	1.8
173.98451	8.5
179.10689	9.6
197.00087	14.6
197.11737	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.73380	2.4
54.19131	2.3
55.05493	3.4
55.93504	3.7
56.96545	4.1
59.04977	3.7
65.03890	2.7
66.99183	2.3
67.05491	8.2
69.41423	2.6
70.95843	31.4
72.93781	18.7
73.93874	2.6
74.25989	2.6
79.05449	4.4
81.07058	10.5
85.06562	3.5
88.96887	7.0
90.94828	3.8
91.05476	42.2
93.07020	29.0
95.04948	10.7
95.08612	3.4
105.07020	26.5
107.04948	4.2
107.08579	76.4
109.06525	8.1
109.10124	3.5
111.98470	41.6
113.96404	9.5
119.04982	3.7
119.08553	8.7
121.06474	6.4
123.11704	5.3
125.06026	3.7
129.99501	6.1
132.95837	30.1
133.10118	77.3
135.11690	57.8
137.05954	7.9
137.09595	6.7
150.96889	35.4
151.11206	5.1
153.01091	23.5
153.88176	3.4
154.98970	5.8
155.97415	47.0
157.68805	3.4
161.09612	33.7
173.98505	32.9
178.43286	3.5
179.10658	100.0
180.02983	4.0
197.00064	82.3
197.11707	68.4
198.00584	6.2
198.18535	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	198.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42209	4.2
55.05498	8.8
55.22247	3.4
56.96297	6.7
56.96556	81.9
62.50499	3.9
68.05016	4.1
69.03401	6.6
69.07055	6.9
70.06575	11.0
70.95865	6.3
72.08154	3.8
72.93781	6.5
73.02905	4.4
80.05000	5.2
81.03387	5.3
82.06567	4.7
85.02908	13.2
86.06070	5.1
86.09713	4.6
91.05478	5.3
91.71024	4.2
94.06551	6.0
95.04951	12.7
95.06061	6.3
95.17876	3.7
97.02865	6.7
97.99183	7.0
106.06533	12.0
110.06046	7.8
110.97563	10.1
121.06493	30.8
124.03984	6.1
124.07614	7.8
128.98567	23.1
134.06017	11.0
136.07564	7.6
146.99652	20.2
152.00229	12.2
152.07089	19.8
155.97411	8.6
156.98033	6.2
170.01208	20.0
170.08138	5.5
174.99144	35.7
180.06558	14.4
180.10220	5.3
181.02617	6.5
193.00157	37.6
193.02873	11.0
193.19736	4.1
197.00111	7.9
198.00702	62.3
198.07664	17.8
198.11234	10.7
198.18520	100.0
216.01804	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31926	2.0
55.01870	6.1
55.05515	2.0
56.95629	2.4
57.03442	7.9
58.96945	1.7
61.02935	6.7
68.05032	3.1
69.03422	23.7
70.06603	7.4
71.04997	2.7
73.02944	5.6
76.64373	1.9
80.05062	3.0
81.03444	8.4
83.05009	3.1
84.04485	3.8
85.02899	100.0
87.53708	2.2
94.06512	2.7
95.04988	2.8
95.06108	8.4
97.02879	17.3
99.04482	6.7
110.06053	3.0
111.04469	3.4
115.03950	2.6
124.07658	2.9
126.05573	2.3
127.03921	39.7
134.06032	6.0
145.04959	33.0
152.07118	8.2
152.10764	2.5
152.45787	3.0
163.06081	11.2
175.29996	2.9
180.06551	3.1
180.08786	2.7
180.10220	5.9
181.02588	3.2
198.07625	19.4
198.09470	4.4
198.11188	26.9
198.18536	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	198.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26245	0.5
57.12852	0.5
58.06583	0.6
60.08152	23.5
68.05019	6.9
69.03401	1.1
72.64911	0.6
76.04015	0.6
85.02897	5.5
95.06077	100.0
96.04418	0.7
97.02863	1.2
111.05542	1.6
112.89594	1.0
127.03918	2.0
134.14713	0.7
145.04941	1.4
154.13379	28.3
175.19308	0.6
198.12390	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	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37814	0.6
53.92715	0.7
55.97173	0.7
57.03416	1.3
60.07856	1.6
60.08152	28.1
60.45834	0.7
65.52280	0.6
68.05016	8.8
68.41589	0.7
69.03414	3.1
70.06573	3.9
71.04970	2.0
81.03398	3.4
82.00865	0.7
83.04972	1.4
84.04497	0.7
85.02422	1.5
85.02895	18.2
89.75192	0.9
91.70993	1.0
94.92051	0.7
95.06078	100.0
97.02879	2.8
99.04421	1.1
105.04356	0.8
110.06001	1.0
111.04429	1.2
115.03800	0.9
118.27336	0.8
126.09154	1.3
127.03915	5.5
132.21582	0.8
140.20546	0.8
145.04927	4.5
146.17848	0.9
152.07088	1.2
152.10701	1.1
154.13383	25.9
163.05980	1.3
167.22948	0.9
180.08804	0.9
180.10236	2.2
198.10999	13.4
198.12717	2.6
198.18552	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	198.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	1.6
67.00539	0.4
74.93178	0.5
91.05466	100.0
91.71648	0.7
106.06574	2.7
116.98695	0.7
123.63794	0.5
132.08131	0.7
153.44934	0.4
168.00716	0.6
181.10075	2.9
198.11160	0.8
198.12755	5.3
198.18501	6.2
200.94859	0.5
215.62701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74296	2.3
54.64434	2.5
55.01860	4.5
55.05508	3.3
55.67295	2.2
56.05021	6.8
56.96534	3.2
58.00172	2.7
58.06580	8.5
60.08151	4.6
60.83569	2.7
61.02907	8.6
66.03454	3.8
68.05000	3.8
69.78674	2.8
70.02938	4.5
70.06576	12.8
72.04510	3.9
72.08151	3.0
74.09718	3.9
77.56525	2.7
80.05001	11.1
82.06563	5.8
84.04497	9.8
84.08119	3.8
86.06051	4.9
87.28831	3.0
94.06547	8.6
95.04991	4.6
95.06097	8.8
97.02916	3.4
98.06064	5.6
98.97577	3.0
100.07599	6.2
102.05493	3.4
107.06094	4.8
108.06865	9.9
108.08121	3.1
109.07632	14.6
110.06036	6.0
112.03946	9.4
114.05550	4.3
118.06493	4.7
120.08102	4.5
121.07626	80.0
124.04133	3.4
125.07120	32.7
128.07117	4.7
129.06583	3.3
133.07603	21.7
135.09157	71.0
136.07599	8.4
137.07076	13.5
139.08609	4.7
139.92540	3.0
139.98775	4.4
145.07608	13.4
151.08646	8.5
153.05510	4.3
153.10277	9.0
154.08597	3.2
156.06584	9.3
157.06070	14.7
161.07169	3.3
163.08653	100.0
164.07060	6.1
181.09698	53.7
182.08128	11.2
198.18542	15.2
199.06964	4.5
199.10760	81.0
199.18776	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	199.1077
Annotation	Pedatisectine D
Peak:m/z	Relative Intensity
55.01862	5.5
55.05502	4.1
56.05026	4.1
56.75288	2.7
56.96555	14.1
58.02950	3.9
58.06582	6.6
59.03729	6.5
60.04514	9.9
61.02918	10.1
65.34483	2.8
66.03434	3.8
66.98179	3.2
70.02943	10.5
70.06589	9.2
72.08153	3.2
74.09731	5.0
79.78264	3.1
80.05010	9.2
82.06569	6.0
83.06141	4.1
84.04507	12.0
84.08135	9.3
86.06062	6.3
91.05463	6.8
93.07025	5.5
94.06552	8.0
95.04962	3.0
95.06065	4.5
95.78450	3.3
96.04472	4.7
96.08127	7.1
98.02443	3.7
98.06028	5.1
98.97575	15.7
100.07622	5.5
101.04733	4.5
102.05550	11.2
104.66248	3.0
108.06834	9.0
109.07617	16.1
110.06045	4.0
111.04448	4.6
111.05601	4.9
112.03983	20.3
116.73783	3.2
116.97229	5.5
116.98620	13.4
118.06547	10.1
120.06867	4.0
120.08109	13.6
121.06551	9.8
121.07616	92.2
122.06822	4.9
124.07589	9.2
125.06328	3.3
125.07085	23.1
128.07144	3.5
129.06612	8.7
133.07605	28.5
134.34227	3.4
134.99692	10.5
135.09171	67.7
136.07605	13.1
137.07086	17.0
139.03864	5.1
139.08698	4.3
139.98802	11.1
140.00186	8.8
140.07094	4.8
145.07625	15.0
147.74849	3.1
151.08678	9.1
153.10257	4.5
154.08609	5.1
156.06613	8.0
156.10181	3.5
157.06105	32.1
158.01262	13.3
163.08649	100.0
164.07108	7.9
165.04964	3.2
175.98376	5.2
181.02827	16.3
181.09683	55.1
182.08154	7.8
198.18524	22.7
199.00174	6.4
199.07173	12.5
199.10741	68.2
199.18892	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	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00288	1.4
55.05260	0.9
55.05506	13.0
56.96556	8.4
57.03437	1.6
57.07065	15.6
57.93538	1.4
59.04979	1.1
67.05486	4.3
69.03395	1.5
69.07062	2.8
73.18600	1.0
74.09700	4.7
76.92831	1.0
77.03866	0.9
79.05473	3.6
81.07042	5.9
83.04977	9.6
84.04510	1.4
85.02891	1.1
85.06538	5.8
91.05466	3.3
93.07031	9.8
95.04961	1.5
95.08599	13.0
97.06520	6.4
97.99177	1.3
98.97577	15.3
100.07617	1.6
102.09171	4.1
105.07012	3.8
107.08588	15.1
109.06503	4.3
109.10130	3.4
111.04430	100.0
111.08086	2.4
113.05996	2.3
116.97241	3.0
116.98621	12.5
119.08604	1.6
121.06460	2.6
121.10149	2.0
125.05984	23.5
125.06906	1.9
127.07530	2.6
130.07773	2.0
134.99658	5.6
135.08054	15.6
135.09091	1.8
135.11684	16.8
137.13266	1.8
139.07532	2.9
139.98824	3.9
140.00192	14.7
145.10124	11.8
153.12740	4.1
158.01245	12.6
158.15385	20.8
163.03877	1.9
163.11154	18.0
175.84419	1.2
175.98540	1.2
181.02834	14.5
181.12236	32.7
198.18529	5.5
199.00081	3.0
199.10823	1.8
199.18898	8.3
200.09207	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	199.1805
Annotation	Cycluron
Peak:m/z	Relative Intensity
50.48985	0.6
55.05505	6.2
56.96552	2.6
58.53761	0.7
72.04518	6.4
74.09708	100.0
83.08605	8.1
98.64249	0.8
98.97601	4.9
100.07610	23.3
110.52441	0.8
113.97460	1.0
116.98608	3.5
134.99637	1.8
140.00232	5.2
140.01120	0.8
158.01222	2.5
181.02974	4.2
198.18515	1.2
199.00087	1.3
199.18002	18.3
218.03186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
50.33506	2.5
51.65668	2.5
53.53848	2.1
55.01846	5.2
55.05486	2.5
56.05008	4.1
56.96544	9.0
57.03421	5.4
61.02893	5.8
63.11723	2.3
64.61554	2.3
68.05000	3.4
69.03415	8.9
70.06564	4.3
73.02905	6.9
80.04967	6.1
81.03384	4.7
82.06563	4.6
83.04952	4.5
83.07338	8.4
84.04481	11.5
84.08124	6.7
85.02887	12.8
86.06025	5.0
94.06547	4.3
95.04959	8.0
96.04469	3.9
97.02859	13.2
98.06021	7.0
98.97591	18.1
99.04426	5.7
99.15373	2.8
108.04455	9.7
108.08100	4.0
109.05235	11.9
110.06034	8.4
110.97532	6.8
112.07623	14.3
116.98612	7.9
122.06013	17.7
123.06847	14.4
124.07642	3.7
126.05518	6.2
126.09147	11.4
127.03906	11.8
128.07083	6.1
128.98628	5.3
134.05952	4.8
136.07573	61.9
138.05493	5.4
138.28673	3.1
139.06271	5.7
140.00163	7.7
140.07077	4.7
145.94066	3.4
152.07059	21.1
154.08624	64.3
158.01324	4.3
158.08089	8.7
158.99614	5.0
164.07022	19.3
170.01154	3.2
177.00639	3.7
182.08142	27.4
182.11748	6.8
200.07254	5.2
200.09155	100.0
200.12762	17.9
219.99272	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	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
56.96550	7.7
61.02922	2.8
63.31075	2.3
68.05018	2.1
71.08601	8.0
84.04477	12.4
85.02901	20.8
88.11254	8.2
95.04939	2.9
98.97568	7.3
100.64723	2.3
102.05518	9.9
107.04948	39.2
108.04467	7.8
108.05269	20.1
109.05253	9.3
110.06023	8.2
116.98642	4.7
122.05986	11.0
123.75603	2.7
130.04990	47.0
134.06023	4.9
136.07552	11.0
138.05577	3.6
140.00174	6.5
146.05940	3.3
152.07056	5.3
154.08656	3.9
164.06972	5.1
170.38269	3.3
172.13297	3.9
181.02818	5.5
182.08128	11.7
184.03712	3.5
185.01324	3.2
200.09152	55.8
200.12804	100.0
201.04251	4.9
202.28870	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	200.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42802	1.8
53.03923	1.7
56.96564	16.1
57.03413	2.8
61.02922	2.7
70.35063	1.7
71.08627	2.3
77.46705	1.7
77.87016	1.8
80.04984	3.5
81.03387	2.7
82.06595	2.7
83.07368	2.1
83.72718	2.3
84.04486	6.2
85.02898	13.7
86.75159	1.7
87.04497	2.0
95.04963	2.1
96.04443	2.3
96.34081	2.0
98.97577	29.6
100.69433	1.9
102.05526	5.0
108.04463	15.7
109.05247	20.4
110.06005	10.1
116.98620	22.4
117.98950	2.4
122.06020	19.3
123.06795	2.2
126.05489	2.9
126.09148	2.2
130.05005	35.4
134.06009	5.3
134.99675	16.3
135.06778	2.3
136.07555	21.1
138.05492	5.7
140.00183	25.0
140.06921	2.4
152.07043	11.0
154.08630	5.2
158.01253	23.2
164.05809	2.3
164.07066	7.7
167.22839	2.0
175.65527	2.4
181.02843	20.3
182.08090	17.5
198.20486	2.5
200.07317	5.3
200.09178	100.0
200.12805	32.7
219.01549	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	202.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65493	34.8
56.96548	100.0
57.07061	47.4
78.99136	39.4
83.56837	42.3
114.05531	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
52.01773	0.5
53.00302	1.4
54.30964	0.5
56.37083	0.6
56.96550	1.2
57.06808	1.2
57.07070	19.9
58.06591	3.9
62.05783	1.0
62.06081	14.6
65.17540	0.5
71.08624	5.0
82.17099	0.6
85.10170	4.3
88.86803	0.6
94.04172	1.7
118.04302	0.6
119.68389	0.6
141.98332	0.7
147.04410	0.7
184.20625	8.0
202.21648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98001	2.6
54.96070	2.6
65.07811	2.5
65.63535	2.7
98.48917	3.1
113.07107	3.0
119.01939	3.8
141.46843	3.6
142.03600	4.4
143.98119	3.9
149.21912	3.3
152.99998	4.1
161.02916	5.3
203.05269	100.0
217.91629	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	203.1392
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
55.05487	2.5
56.05019	3.7
57.06809	1.3
57.07074	24.9
60.04514	2.8
70.78992	1.3
72.08147	24.2
74.09709	86.0
80.39882	1.8
83.06088	2.0
84.04497	100.0
85.02901	7.0
86.70528	1.5
94.68843	1.4
102.05561	5.1
113.37130	1.8
117.44778	1.5
120.56050	1.6
130.05008	34.0
157.13341	14.2
158.11879	2.0
177.08192	1.7
181.02805	2.4
186.11249	59.0
203.05336	4.5
203.13939	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.31841	2.6
50.35220	2.6
55.05500	10.4
56.96550	2.7
60.04512	4.8
62.07996	2.5
65.03941	3.6
65.68913	2.7
67.05498	21.5
69.07053	12.1
71.08627	3.8
79.05489	7.2
81.07045	43.5
83.08606	7.0
84.04464	3.3
91.05485	16.4
91.71622	6.1
93.07047	29.3
93.30067	3.2
94.76445	2.8
95.08596	65.0
95.09159	5.5
101.07175	3.0
103.45038	2.8
105.07029	56.5
107.08585	42.6
109.10155	46.3
111.46314	3.5
119.08582	43.7
121.10167	21.1
123.11730	9.5
126.05539	3.4
133.10110	37.9
135.11772	6.9
147.11678	64.0
148.19214	3.2
148.62665	4.1
150.93523	3.1
155.30003	3.3
161.09550	4.4
161.13283	13.7
168.85295	3.1
173.48053	3.2
175.14854	7.5
203.06425	3.9
203.10652	4.8
203.17924	100.0
203.19757	6.2
210.86089	3.9
215.17270	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.74185	2.5
53.99079	2.5
54.77608	2.1
55.05482	3.1
60.04504	4.8
67.05497	20.5
69.07028	7.7
79.05465	10.5
81.07039	39.9
84.04475	3.5
91.05470	18.3
93.07034	26.4
95.08595	59.6
96.04447	2.9
105.07025	35.2
107.07930	4.7
107.08585	43.8
109.10139	34.9
119.08559	25.4
121.10140	22.5
122.97613	3.0
123.11677	7.2
131.24651	2.6
133.10112	26.1
135.11656	6.2
143.83698	3.2
147.11674	51.1
149.57924	2.5
161.13280	10.8
175.14752	6.0
203.16031	5.2
203.17943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05495	9.9
60.04504	10.3
67.05490	25.2
68.43886	3.1
68.78701	3.1
69.07043	8.5
79.05473	5.4
81.06601	6.7
81.07049	100.0
83.08621	6.7
91.05472	11.2
93.07027	17.2
95.08601	81.7
97.02874	4.1
105.07022	36.1
106.13855	3.2
107.08576	28.5
109.10144	65.9
119.08575	43.6
121.10161	18.8
123.11702	11.7
133.10121	41.5
135.11670	18.7
145.10182	4.9
147.11667	47.1
161.13287	16.5
175.14868	9.7
203.14357	4.4
203.17938	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03960	1.7
55.05494	6.7
57.07051	2.4
60.04286	2.2
60.04517	23.5
66.00204	1.8
67.05496	36.8
69.07042	8.3
75.84697	2.1
79.05479	8.5
81.06599	3.2
81.07049	37.0
83.08600	3.0
84.04475	5.9
91.05466	12.9
93.07042	21.6
95.04919	2.9
95.08598	97.6
96.04428	3.3
97.02879	4.0
105.07021	35.5
107.08588	34.9
109.06486	2.2
109.10151	89.8
119.08572	43.5
121.10143	22.3
123.11679	10.0
126.05532	5.9
131.08534	2.2
133.10121	28.6
135.11665	2.9
147.11674	39.6
153.71848	2.4
161.09598	3.5
161.13231	23.8
175.14799	9.0
203.10667	2.5
203.17938	100.0
204.08739	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05501	8.0
55.16334	3.0
56.45199	3.1
56.96546	4.9
57.07062	5.1
59.11259	3.3
60.04510	7.3
64.25404	2.9
67.05495	31.5
68.79752	3.0
69.07060	14.9
71.16384	3.2
74.04205	3.2
78.79671	4.1
79.05495	7.0
79.51220	3.5
81.07058	30.4
91.05461	14.8
91.30087	3.3
93.07036	15.7
95.08601	100.0
105.07017	36.1
107.08585	42.1
109.10152	78.7
119.08585	35.7
121.10135	21.0
122.17776	3.6
123.11726	4.1
133.10132	28.7
147.11682	30.6
161.13252	18.7
163.41798	4.1
175.14833	10.5
203.17943	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
55.05505	0.8
55.26027	0.6
56.05027	1.6
56.96568	2.6
57.03444	1.1
60.04520	100.0
61.02913	1.0
61.33324	0.6
65.03946	0.9
68.05036	3.8
69.03426	1.3
69.07052	1.1
70.02956	0.7
70.06578	1.5
72.04510	1.1
72.08161	1.6
81.03429	2.6
83.01347	1.2
83.05000	2.0
84.04497	8.9
84.08154	1.4
85.02903	7.9
86.09727	2.5
90.05529	1.7
96.04492	6.0
97.02896	4.7
98.06085	3.1
98.09702	3.2
98.97560	0.8
99.04466	1.9
99.39941	0.7
102.05554	0.7
105.07074	0.8
109.02928	1.5
110.06081	1.6
114.05534	4.0
117.05457	1.1
120.97858	0.7
121.00810	1.0
121.01661	1.0
126.05496	7.9
130.06523	1.1
130.08644	0.9
130.76453	0.7
131.04951	0.8
132.10222	1.2
137.06020	0.8
138.05476	4.9
139.01826	1.8
139.03970	0.9
140.07068	1.8
144.02322	1.2
144.06543	3.5
145.05005	2.1
145.98727	0.7
148.07591	1.0
158.06052	2.4
158.08186	3.2
158.11761	8.6
162.03416	1.4
163.01895	2.7
167.04886	1.0
168.06604	3.1
176.07100	1.9
181.02962	3.2
186.03387	11.2
186.07701	2.0
204.04576	2.3
204.06686	4.3
204.08768	11.0
204.10519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
55.01900	0.7
56.05025	2.1
56.92548	0.5
56.96569	1.8
57.03424	0.9
60.04518	100.0
61.32034	0.8
68.05021	2.6
69.03425	1.7
70.06590	1.8
72.04503	1.3
72.08155	0.9
73.02908	1.3
74.06066	0.9
79.05488	1.0
81.03427	1.7
81.07033	1.3
83.01308	1.6
83.04976	1.4
84.04498	5.9
84.08150	1.6
85.02899	7.0
86.06048	0.7
86.09702	2.8
87.10031	1.3
88.07621	1.3
95.08617	1.3
95.23689	0.7
96.04478	5.5
97.02891	4.0
98.06063	1.4
99.04477	2.6
102.05524	0.9
109.02832	0.9
112.07661	1.1
114.05559	3.4
116.07111	0.9
117.05524	1.7
121.06471	0.8
124.03964	0.7
126.05531	5.3
127.03918	1.0
130.06549	1.5
130.08742	0.9
131.06825	1.1
133.04955	1.0
138.05560	3.0
140.07098	1.2
144.06610	2.0
145.05013	2.3
150.09224	0.8
153.49702	0.8
153.66652	0.8
158.06041	1.7
158.08078	3.4
158.11839	2.5
167.04965	1.3
168.06535	4.8
168.10208	1.5
186.07684	1.8
204.08601	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	204.0867
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
53.03948	1.6
55.59829	0.8
56.16969	0.8
57.14029	0.8
57.46256	0.8
60.04518	100.0
66.80138	1.1
68.05020	6.5
69.03412	1.4
81.03416	2.0
83.01328	1.3
83.04985	1.9
84.04500	15.2
84.51162	1.0
85.02898	10.3
96.04483	8.0
97.02890	10.9
98.06034	2.6
99.04460	3.7
101.95287	1.0
109.02875	0.9
110.06030	3.9
114.05515	9.2
117.05399	1.4
117.07616	1.0
125.74715	1.0
126.05492	13.9
127.03930	2.1
129.56319	1.2
129.63562	1.3
138.05507	3.0
144.06560	2.6
145.04982	3.0
168.06566	3.6
186.07611	2.8
204.05595	1.6
204.08627	16.7
204.10367	1.1
221.72919	1.1
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	Acetyl-L-carnitine
Peak:m/z	Relative Intensity
55.01862	1.7
56.96550	3.0
57.07037	1.2
60.04515	32.5
61.51393	1.2
66.61515	1.1
69.03429	1.6
69.07057	14.2
70.02946	2.5
70.06611	1.6
71.08618	3.0
72.04504	17.6
81.03438	1.6
84.04492	5.7
84.08143	2.1
84.71914	1.1
85.02921	2.7
87.08097	18.7
88.49828	1.0
90.05544	100.0
94.90623	1.1
96.04479	2.5
97.02879	3.7
98.02420	4.5
98.06045	1.7
103.51957	1.3
112.07595	1.1
114.05536	3.2
116.03431	4.0
116.10750	3.1
117.07558	1.1
117.88924	1.2
120.97865	1.3
121.06517	3.2
126.05515	5.2
127.04025	1.5
130.06483	1.2
138.05479	1.8
139.01836	2.8
140.05588	1.3
141.30751	1.1
141.70673	1.3
144.02325	1.6
144.10173	4.6
145.04964	1.7
149.02327	1.9
163.01791	3.6
168.06532	2.0
176.07111	1.5
181.02905	4.8
186.03410	14.2
186.07741	1.5
186.11235	34.3
196.97043	1.2
204.04576	2.1
204.06735	2.5
204.08556	3.1
204.10320	1.9
204.12296	14.3
204.13890	5.6
204.99525	1.8
209.46880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1384
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
53.03928	1.6
53.26538	1.0
55.01862	7.3
55.05507	1.8
55.65882	1.0
57.88041	1.0
60.04503	3.4
60.20379	1.0
65.03899	1.4
66.90126	1.3
67.04245	1.2
67.05499	10.5
68.05013	3.6
69.03412	1.1
69.07045	4.1
70.06566	4.4
71.04963	1.4
75.75156	1.2
77.50498	1.4
79.05099	1.6
79.05488	19.8
80.05003	2.5
81.07037	16.4
82.06564	2.6
84.04488	2.2
84.08130	2.2
89.33864	1.3
91.05480	13.4
93.07037	23.8
94.06564	16.1
95.04976	6.9
95.08582	2.8
96.08095	2.6
100.57161	1.2
102.87708	1.4
105.07003	2.5
106.06538	3.3
107.04964	7.4
107.08606	8.8
108.08119	3.0
109.06501	2.4
110.06036	1.7
110.09633	1.6
112.07585	4.5
117.06952	2.4
118.06540	3.3
119.08543	5.9
120.04474	2.3
120.08099	17.0
122.06023	17.7
133.08936	1.9
134.09619	2.4
135.08060	2.8
135.11633	1.5
136.07573	19.3
146.09570	2.9
148.07535	13.0
148.11147	1.9
149.08322	2.1
174.12801	2.4
175.10039	1.5
176.14311	8.5
186.12704	5.9
194.40306	1.5
204.13814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97329	0.3
51.55274	0.2
53.00290	0.6
57.06804	0.5
57.07068	8.5
58.72291	0.3
62.60428	0.2
65.03603	0.6
65.03930	10.1
67.05476	0.3
69.07037	0.4
71.97747	0.3
73.18214	0.3
74.67439	0.2
79.05447	0.3
81.07046	2.4
81.53877	0.3
83.08563	0.3
93.03424	2.7
93.03947	0.5
93.07033	1.9
95.08590	0.8
95.63680	0.3
99.10941	0.3
107.08582	0.7
109.10135	0.9
111.04423	2.3
121.02856	16.1
121.03953	2.5
121.10125	2.9
123.11677	0.3
134.06064	0.3
142.03352	0.3
149.02327	100.0
149.13295	0.7
150.02669	0.3
163.06375	0.3
165.05150	0.3
167.03456	0.5
183.65030	0.3
190.04961	4.6
205.19354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01851	7.4
56.05028	2.3
56.96547	7.0
57.03418	4.9
57.07051	6.7
58.06583	2.0
60.04514	100.0
61.02912	5.6
61.04202	3.1
61.04852	32.8
63.92914	3.4
65.03926	6.6
67.05472	3.2
67.78891	2.0
68.04998	5.3
69.03416	24.6
69.05346	2.3
71.04961	6.6
73.02890	5.1
74.06078	2.3
78.95255	4.7
80.04995	5.6
81.03400	32.0
82.06579	2.2
83.04961	6.9
84.01670	2.2
84.04488	8.5
84.08123	3.2
85.02892	27.4
85.04816	8.4
86.03226	3.9
87.04436	3.0
89.90299	2.1
91.05455	5.8
93.06969	2.3
95.04973	6.3
96.04462	3.5
97.02883	62.0
97.04842	4.7
98.02398	5.3
98.03219	8.9
99.04442	21.8
103.05463	3.3
104.05008	2.8
105.06985	2.5
106.06544	6.5
108.04479	17.7
109.02860	32.6
111.04448	4.6
114.05523	6.1
115.03914	4.8
115.05933	5.2
115.54354	2.1
117.05583	4.7
118.06529	23.6
119.97890	7.3
121.02872	7.7
123.04392	3.8
126.05524	4.7
127.03901	19.1
127.05859	9.9
128.04231	2.9
130.06525	2.9
132.08067	5.2
134.06024	4.6
135.27200	2.3
137.05945	2.9
139.03900	3.8
139.05870	3.6
141.05461	2.2
143.07372	4.4
144.08066	9.5
145.04941	4.2
145.06877	3.4
145.17204	2.9
146.06012	41.8
149.02324	33.6
149.03407	3.8
151.03961	2.8
159.08084	6.1
159.09215	3.9
163.96858	4.2
164.07138	3.3
170.05975	2.9
177.06673	3.7
181.02901	5.2
186.03328	5.1
187.03926	2.6
187.05986	3.3
188.07043	42.1
204.99498	12.3
205.09000	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	205.097
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.69635	0.8
50.71222	0.6
52.09499	0.7
54.05447	0.8
55.60644	0.7
74.02417	1.5
80.28616	0.7
89.03893	0.9
91.05468	4.1
91.89465	0.7
106.19452	0.8
115.05434	5.3
117.05744	2.7
117.07013	3.3
118.06530	53.1
130.06494	4.0
130.23091	0.8
132.08070	12.0
142.06534	3.7
143.07288	7.8
144.04460	1.0
144.08076	20.6
146.05992	100.0
159.09154	9.4
160.07584	1.6
162.95190	1.0
170.05991	7.7
188.07047	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	205.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	9.6
56.96553	4.1
57.07063	1.8
62.98230	1.1
63.92921	3.3
65.03922	1.6
67.89601	1.1
69.03423	1.6
69.07081	1.4
71.39445	1.3
73.78423	1.3
75.47771	1.1
78.25860	1.2
78.95271	3.7
79.05486	2.8
80.23942	1.1
81.03405	1.9
84.04496	72.6
97.02879	6.0
99.04448	2.0
101.36919	1.5
103.05468	2.1
105.07024	100.0
109.02897	1.7
118.06544	2.2
119.01960	1.6
119.97877	8.6
121.02786	1.5
121.06433	1.8
122.09665	41.3
122.94218	1.4
124.02657	1.4
134.30084	1.5
142.03546	1.6
144.08072	1.9
146.06015	3.7
146.09645	5.2
149.02313	13.3
149.06000	1.9
153.16116	1.3
159.04416	3.8
163.96884	3.0
165.05104	3.2
172.44928	1.4
173.48602	1.7
181.03148	1.4
181.97905	1.7
188.07069	4.8
199.75230	1.8
204.99426	7.4
205.13391	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	205.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25737	7.7
55.05516	15.3
57.03432	12.7
57.07078	26.9
64.81387	8.7
65.03947	17.8
67.05493	100.0
67.05791	10.0
69.07079	20.1
78.93140	7.7
79.05503	32.4
81.03422	12.9
81.07073	33.5
85.15263	9.1
91.05467	44.1
93.07057	35.7
95.04965	14.0
95.08633	29.6
97.02886	18.9
97.17471	8.2
103.05502	8.1
104.05490	8.9
105.07063	24.8
107.04933	10.6
107.08627	27.6
109.10192	22.9
117.07024	20.1
119.01888	19.7
119.08584	17.1
121.02960	9.1
121.10178	31.9
131.08598	29.1
142.03545	30.0
145.10106	11.8
147.11703	10.4
149.02351	76.0
160.04475	9.7
164.04398	8.8
165.05106	77.5
173.31557	10.2
205.15921	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05493	5.8
57.07077	1.9
57.11497	1.1
57.16281	1.1
58.22779	1.2
60.04523	1.8
64.36349	1.2
67.05486	7.0
69.07059	13.6
72.93784	3.5
79.05476	6.6
81.07043	43.4
83.08600	1.9
84.04504	1.3
91.05471	4.7
91.99768	1.4
93.07040	41.2
95.04987	1.8
95.08598	17.6
97.02850	2.4
105.07027	2.6
107.08573	17.8
109.10155	11.7
112.01788	1.4
113.14154	1.4
113.96397	4.9
119.22123	1.6
121.10137	100.0
123.11718	5.1
135.11674	8.2
149.02336	3.3
149.13226	24.0
149.14256	2.0
154.99001	8.5
163.14709	1.7
205.19498	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05489	5.1
57.07056	3.2
60.04516	2.4
64.03034	1.1
67.05496	6.6
69.07063	13.8
72.93765	3.1
79.05479	7.7
81.03390	1.7
81.07047	45.0
81.14658	1.4
83.08600	3.9
85.02943	1.3
91.05455	4.1
93.07037	39.7
94.09695	1.3
95.08595	19.8
97.02893	2.5
97.10168	3.8
105.07053	2.5
107.08591	15.9
108.04446	1.7
109.10146	12.8
113.96419	5.8
121.10140	100.0
123.11691	4.4
131.97426	1.5
135.11676	6.9
149.02371	3.2
149.13239	24.7
154.97910	1.5
154.98964	6.9
165.09537	1.4
197.91042	1.4
205.08986	1.6
205.19514	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.56241	0.6
53.03926	0.6
55.05503	3.9
56.11984	0.7
57.07058	2.3
60.04512	2.1
61.04847	1.5
62.70912	0.7
65.03919	0.8
67.05497	6.3
68.76722	0.7
69.07059	7.9
79.05476	7.0
81.03423	1.2
81.07046	100.0
83.08595	3.0
90.43398	0.8
91.05484	1.0
91.14475	0.6
93.07041	12.0
93.39848	0.7
95.08601	22.3
97.02891	1.9
97.10156	2.5
98.05402	0.7
104.05206	0.9
105.07049	1.4
107.08595	13.7
108.04514	0.8
109.10150	15.9
119.01916	3.2
121.10132	9.0
123.11715	6.8
135.11702	12.7
142.03445	4.7
149.02332	1.8
149.13248	14.0
163.14682	0.8
165.05109	7.2
188.64067	0.8
205.08736	1.3
205.19498	10.2
206.07646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05502	5.0
57.07060	3.2
65.03935	1.1
67.05502	6.1
67.62603	1.1
68.99851	1.1
69.07053	8.7
79.05476	8.2
81.07048	100.0
83.08607	2.4
91.05466	2.5
93.07031	14.9
95.08598	22.3
97.10162	2.8
107.08594	14.5
109.10152	19.1
121.10145	12.1
123.11711	9.9
135.11685	11.2
142.03471	1.5
149.13252	17.9
163.14836	1.7
165.05139	1.6
205.19478	11.8
217.64983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03916	1.1
53.23801	0.9
55.05504	6.3
57.07060	4.9
60.56960	1.1
67.05495	11.2
69.07062	15.9
79.05487	12.2
81.07047	100.0
83.08611	3.2
87.97905	1.1
89.04026	1.2
91.05480	4.9
93.07035	38.4
95.08593	29.1
97.10170	2.1
105.07037	3.0
107.08595	23.6
109.10150	22.2
111.11742	1.9
113.96416	1.8
119.01921	2.9
119.08529	1.3
121.10139	86.8
123.11690	12.3
124.02417	1.4
131.41322	1.3
135.11696	17.5
135.12682	2.0
142.03499	4.6
149.02351	5.0
149.13246	29.6
163.14777	1.8
163.42230	1.2
165.05078	4.3
205.19533	14.4
217.86864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.00302	1.4
53.03944	1.6
55.05497	6.0
57.07060	4.0
57.38701	1.0
65.03942	1.4
66.25256	1.2
67.05495	6.8
69.07059	15.6
69.68396	1.2
73.52316	1.1
79.05481	8.5
81.07048	74.5
83.08611	3.1
90.37926	1.4
91.05453	4.7
91.71688	1.4
93.07033	41.7
95.08600	27.1
97.10152	4.9
105.07028	3.6
107.08584	23.6
109.10146	20.7
111.50760	1.2
111.86248	1.4
121.02817	3.0
121.10138	100.0
123.11739	6.9
135.11690	12.9
137.13261	1.8
142.03549	4.6
149.02321	22.6
149.13239	26.6
163.14731	1.6
165.05092	2.5
196.38138	1.7
205.19496	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05506	5.2
55.50974	0.7
57.07064	2.2
60.04544	0.8
61.41273	0.9
62.02440	0.7
62.26382	0.7
67.05499	6.0
68.38246	0.8
69.07066	12.5
69.16969	0.8
77.59243	0.9
79.05495	7.3
81.07047	48.1
83.08601	3.1
91.05479	5.4
93.03313	0.8
93.07037	42.7
95.04964	1.8
95.08599	19.4
97.10149	2.2
104.97006	0.9
105.07036	3.5
107.08588	17.5
109.10143	12.8
121.10140	100.0
122.10592	1.0
123.11697	5.5
135.11684	9.5
147.71666	1.0
149.13237	23.1
163.14778	1.5
205.19519	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
54.16645	0.8
55.05505	7.2
57.07058	4.3
65.03950	1.1
67.05497	11.6
68.54176	1.0
69.07060	11.2
79.05495	8.7
81.07047	100.0
83.08595	3.8
91.05462	2.9
93.07042	17.8
95.04985	1.6
95.08602	29.2
97.10144	3.1
105.07053	2.3
107.08585	20.2
109.10152	22.7
110.55509	1.2
111.11729	1.7
119.01917	4.2
119.08532	1.3
121.10138	17.6
123.11689	9.9
135.11702	15.9
137.02942	1.2
142.03510	6.9
149.02370	3.6
149.13261	18.0
163.14839	1.7
165.05090	10.4
168.47945	1.1
183.06152	2.5
190.12440	1.1
205.19545	15.6
206.07770	1.2
217.13937	1.0
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	(+)-Theonellin
Peak:m/z	Relative Intensity
51.12262	0.6
54.05753	0.7
54.64515	0.7
55.05502	5.1
57.07070	2.3
67.05501	5.7
69.07056	10.9
70.77422	0.9
79.05482	6.9
81.07047	49.6
83.08601	1.8
91.05459	5.4
93.07036	37.8
95.04961	1.5
95.08601	15.3
97.10168	1.8
105.07018	4.0
107.08585	18.6
109.10153	13.8
111.11671	0.8
121.10136	100.0
122.10440	1.0
123.11674	4.6
135.11676	7.5
137.13239	1.1
142.03566	1.4
149.02376	1.1
149.13234	22.6
165.05110	1.7
188.28259	1.0
205.19490	11.5
206.26021	1.0
209.38855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1175
Annotation	Bellendine
Peak:m/z	Relative Intensity
50.51716	0.4
52.58771	0.5
55.67496	0.4
57.03418	1.1
71.66766	0.6
76.32022	0.5
79.05482	2.0
85.02892	12.8
91.71338	3.1
95.04957	1.2
103.05455	2.5
104.83121	0.5
105.07020	100.0
119.01913	4.8
122.09657	16.5
124.02432	1.7
130.26796	0.7
134.85631	0.6
137.02980	1.7
142.03482	8.8
146.09648	4.5
150.02681	0.8
160.04546	1.8
165.05072	14.1
171.28268	0.5
181.55563	0.6
183.06213	1.4
188.08971	1.3
188.10693	23.4
206.07892	1.6
206.11748	10.9
207.13844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81757	0.9
53.68886	0.9
55.01868	1.0
56.96557	5.4
58.91755	1.0
70.06583	100.0
70.76221	0.9
72.08146	1.1
75.48471	1.0
98.97681	1.1
101.00902	1.9
105.07016	1.8
107.04971	1.0
119.01922	9.1
123.04474	3.5
124.02486	1.9
132.03554	1.1
137.02968	1.7
142.03494	14.0
147.06384	4.6
150.02695	2.0
160.04594	2.2
164.07077	1.8
165.05084	25.0
166.05566	1.1
166.33434	1.2
178.08672	1.5
183.06233	2.3
188.07043	1.4
189.07460	3.0
193.05495	1.4
206.07866	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05495	6.5
56.96554	9.6
57.03426	1.8
57.07059	4.3
59.04985	2.2
63.25682	1.5
64.03781	1.9
65.03912	2.0
65.92624	2.4
65.93152	1.8
66.72370	1.8
67.05499	30.3
69.03414	9.8
69.07059	2.2
71.04977	1.9
75.35619	1.6
79.05486	5.9
81.03410	6.0
81.07034	8.4
83.04980	4.8
85.02890	21.4
85.06544	9.5
87.49266	1.9
91.05475	11.8
91.06266	2.0
93.07021	10.9
94.06542	2.8
95.04962	7.5
95.08597	100.0
97.06534	2.5
105.07025	22.9
106.07356	2.5
107.08587	17.5
109.06524	5.9
109.10146	7.6
111.04441	2.6
113.06009	3.0
117.07027	2.6
117.09038	1.8
119.01901	2.3
119.08559	20.1
120.01987	3.1
121.06526	5.6
121.10121	12.8
121.97593	5.6
123.08067	34.5
123.11710	16.3
131.08549	5.1
133.06560	2.2
133.10100	5.0
135.11723	2.4
137.09639	3.5
142.03503	3.8
143.03647	4.0
145.10120	3.1
147.04364	2.2
147.08031	3.9
147.11632	10.8
149.09589	24.9
151.07556	2.7
151.14874	2.2
161.02863	2.5
161.05974	3.0
161.13257	11.7
165.05186	5.8
165.12692	10.1
165.96599	2.2
166.05127	9.3
174.10420	3.1
176.68893	2.2
179.14355	2.6
184.02873	2.4
184.04582	4.9
189.12737	12.8
207.04410	4.8
207.06371	16.1
207.08160	4.9
207.10001	2.3
207.13771	21.2
207.15556	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
55.05515	2.3
56.96555	2.8
60.37283	2.2
63.17964	2.5
67.05498	3.6
69.03419	6.1
70.47354	2.3
71.01427	2.1
79.05474	6.1
81.07047	6.4
82.17789	2.5
89.54814	2.4
91.05499	5.8
95.04970	8.0
95.08597	11.5
103.05464	3.1
105.07024	11.9
107.08582	12.4
109.06516	21.0
109.10146	3.2
119.08581	4.8
121.10172	4.0
123.08053	18.0
133.06483	4.6
147.04398	3.0
147.11671	11.4
149.09619	16.0
151.07542	100.0
151.08768	5.3
166.05223	6.5
184.04550	5.5
189.12773	6.3
207.06288	4.2
207.13857	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.52177	10.5
52.77070	9.2
53.03957	10.8
53.16435	9.7
55.05505	17.1
55.09137	9.4
56.96548	44.9
57.07054	11.4
65.79723	8.3
65.92610	13.8
67.05481	18.0
67.41607	9.2
69.03410	44.9
71.04986	63.2
73.02877	11.8
81.03410	16.0
81.07034	17.5
83.04991	15.2
85.02876	15.6
91.05455	31.3
93.07060	11.8
95.04984	22.6
95.08611	17.6
105.07020	30.8
109.06502	27.5
111.04506	15.9
119.08543	20.6
120.01985	26.7
121.06509	62.4
121.97605	28.6
123.08071	30.8
124.02508	12.7
127.98802	10.4
131.99829	10.6
133.06512	33.0
133.08899	12.1
133.10101	14.2
137.02917	15.7
137.05951	13.1
137.09605	100.0
142.03494	24.0
143.03635	51.2
147.11737	15.7
149.09604	25.5
155.59065	11.3
161.03009	32.7
161.04620	16.5
161.05936	16.2
163.11171	57.8
165.05153	25.6
165.12794	18.5
166.03827	17.9
166.05257	91.9
184.04579	35.4
184.06180	14.2
189.12698	18.0
206.99164	33.4
207.06300	91.6
207.07898	21.2
207.13853	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	207.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	60.1
57.17427	2.6
58.99565	11.4
70.66701	2.2
71.08626	48.6
71.33205	2.3
72.87452	2.3
77.00619	100.0
77.15295	2.6
83.46724	2.2
89.13583	2.4
101.60086	2.5
157.52661	2.5
165.47273	2.2
179.34117	2.5
207.14108	55.9
218.53789	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	207.1743
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
50.24615	2.5
55.05494	9.5
56.96551	6.5
67.05495	12.6
69.03419	4.8
69.07054	23.1
76.70540	3.3
79.05486	4.3
81.07052	33.3
82.07394	6.1
82.88086	3.4
83.04965	36.9
91.05457	15.7
93.07043	21.4
95.08593	24.2
97.06525	8.8
102.00990	4.1
105.07004	26.0
107.08600	20.3
109.06553	6.1
109.10165	8.3
119.01937	6.7
119.08594	12.0
120.01981	6.9
121.06533	6.0
121.10134	10.0
122.56850	4.0
123.08053	100.0
123.08949	5.3
123.11697	3.5
133.10143	26.6
137.13269	4.3
142.03502	12.5
143.03627	19.5
144.03207	5.8
147.11662	9.9
149.13264	10.1
151.11176	19.9
156.61510	3.6
161.02934	8.7
161.13271	5.6
165.05136	20.2
165.12833	4.6
166.05171	42.7
167.04900	5.8
184.04588	13.7
185.95207	4.4
189.16351	23.5
200.02730	3.8
200.67691	3.7
207.06192	25.0
207.17415	93.1
223.60101	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	208.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.1
56.96561	10.5
60.42281	3.7
61.82881	4.9
64.60632	3.9
69.03415	9.3
71.05004	4.0
72.04510	9.7
79.05492	4.4
80.05019	4.3
81.03403	15.1
83.04970	4.2
85.02898	7.7
91.05466	15.6
91.71672	5.9
94.06543	7.3
95.05008	7.4
97.02875	10.5
105.07000	10.4
106.06561	7.2
108.04433	4.1
109.14574	4.1
110.06040	4.5
111.04463	6.4
115.05469	4.6
118.06538	6.4
121.01099	17.5
121.06525	6.8
126.08157	4.8
130.06563	5.0
133.05255	6.8
133.06349	4.8
134.06010	14.9
135.02631	6.3
135.06812	5.5
136.07594	6.6
137.05988	28.2
139.02075	4.9
146.06009	13.7
147.06796	18.2
149.00545	77.9
149.06004	4.4
151.07565	23.2
161.97240	7.5
162.03854	6.1
162.05453	9.7
162.09087	21.8
163.02086	10.5
164.07101	6.2
166.03250	21.9
166.04608	4.5
166.08623	4.6
173.06023	6.7
178.08563	4.6
180.04759	21.7
180.10164	9.3
185.02962	5.8
190.08598	29.4
208.04301	66.5
208.06233	16.3
208.09627	100.0
208.13358	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	208.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74036	1.8
55.47297	1.9
56.96544	4.3
62.99086	2.1
65.68308	2.1
65.79217	2.2
66.99855	1.9
69.07040	8.3
70.06564	6.8
72.08140	2.5
79.05459	3.3
80.53611	2.0
83.94075	2.1
84.08112	3.5
86.06074	2.6
86.09669	2.5
91.05452	8.2
94.06535	5.7
95.04936	3.2
102.04693	2.7
103.05460	6.5
103.35591	2.4
105.07001	4.3
106.06551	4.7
113.17024	2.0
117.07000	2.8
119.05101	3.1
120.08093	24.7
121.01056	21.8
121.06533	12.5
121.08410	7.8
122.05974	4.4
122.09658	2.7
123.04472	2.6
134.09650	7.1
135.02608	4.6
136.07568	3.6
137.05945	17.6
144.08069	9.5
147.04413	3.3
147.06786	5.9
149.00554	90.1
160.45656	2.5
161.05905	5.4
162.05478	5.8
162.09125	9.1
163.02115	4.2
164.07130	4.5
165.06491	2.8
166.03177	14.1
166.08629	4.9
172.07500	3.6
175.58195	3.1
179.07033	3.7
180.04749	6.3
180.10191	5.8
190.03188	7.7
190.08614	47.7
191.07227	2.6
191.11755	20.1
208.00526	3.9
208.04301	38.7
208.06023	5.5
208.09669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0604
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
56.96550	1.5
57.09325	0.6
67.05464	0.8
69.03403	0.9
69.07061	0.8
70.06569	3.4
72.08138	2.1
79.02145	0.8
79.05466	3.6
81.04518	0.9
84.04473	1.3
84.08132	3.6
86.06038	2.0
86.09675	1.1
89.03893	3.5
91.05463	3.6
91.71275	0.8
94.06564	5.1
95.04928	1.3
102.05531	0.8
106.06547	9.2
107.04922	1.1
114.09122	1.1
116.04972	9.2
117.03366	1.7
117.06974	0.9
118.06484	0.9
118.11840	0.9
119.04951	1.2
120.08064	1.4
121.06471	3.4
122.06003	1.7
123.04469	1.0
124.07579	2.4
133.05202	1.1
133.75171	0.8
134.06009	19.1
135.04419	13.7
136.07547	0.9
137.06030	4.7
140.07054	3.4
144.04482	1.4
144.08049	1.5
148.07552	1.4
149.07060	1.1
157.07574	2.2
162.05487	100.0
162.09120	2.7
163.05934	1.3
163.12288	7.3
164.06985	1.8
180.06538	8.8
180.10133	1.2
190.08598	9.8
191.08081	1.0
191.11812	12.7
207.11333	1.7
208.06038	49.0
208.09595	20.6
208.11514	1.9
208.14485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0969
Annotation	(+)-Hupeol
Peak:m/z	Relative Intensity
51.68303	1.5
51.90222	1.4
58.06580	2.6
72.04510	9.9
72.08129	2.2
73.23443	1.7
77.24238	1.6
79.05479	2.1
84.04494	2.1
91.05470	8.6
103.05460	3.1
105.07008	7.9
106.06532	2.2
111.04443	1.8
115.05411	3.6
117.06996	2.5
119.04939	4.7
120.04400	1.8
120.08151	2.3
121.06493	2.9
123.04381	2.3
131.04826	2.3
133.06485	5.0
134.05960	3.2
134.09653	2.9
137.05016	3.0
137.05977	36.5
144.08064	6.1
145.06454	4.2
146.06061	2.2
147.04344	2.0
148.05161	2.9
149.05966	2.5
151.07538	28.8
162.05556	2.7
162.09096	7.4
163.07474	3.3
164.07053	4.1
165.07834	6.2
172.07562	3.2
178.08630	4.6
179.07045	2.6
180.08788	1.9
180.10217	8.3
190.06982	4.2
190.08592	41.0
208.09673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0969
Annotation	Thalifoline
Peak:m/z	Relative Intensity
50.85715	1.4
51.52375	1.3
56.96550	4.0
57.03403	1.8
57.07050	1.5
62.30247	1.4
65.03934	3.8
69.03420	1.7
72.04506	16.0
79.05512	2.0
83.04950	2.3
83.14495	1.9
84.04507	2.4
91.05475	55.4
94.06562	2.1
95.04938	2.2
105.07050	2.2
105.11982	1.9
106.06531	2.4
109.06535	2.6
109.69602	1.6
111.04457	2.5
113.68582	1.7
118.06480	1.7
119.04933	25.0
120.08114	2.4
121.01704	1.8
121.06495	2.2
123.04417	4.4
137.05974	100.0
144.03236	2.6
150.05443	2.5
150.78220	1.6
160.07610	2.8
162.05479	2.4
162.09195	5.4
164.07060	3.6
167.04915	5.5
190.05009	2.4
190.08615	9.1
208.00543	3.2
208.06125	6.3
208.09662	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52549	6.0
56.96545	15.5
64.31649	6.0
75.17078	7.0
78.30356	7.1
78.73097	6.1
102.10493	8.8
118.64728	8.0
120.81007	8.2
121.01714	9.8
124.33367	8.3
132.13037	8.3
144.03319	14.1
154.95976	10.3
167.04878	19.1
190.96222	14.9
191.81628	7.6
191.94629	32.6
199.55748	7.5
208.97272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.096
Annotation	Chalcone
Peak:m/z	Relative Intensity
51.00014	1.8
56.96548	2.8
57.07085	1.8
79.05477	2.1
80.40324	2.1
95.04964	10.6
103.05457	57.8
105.03388	31.5
117.84761	2.3
131.04915	100.0
142.59409	2.2
144.08110	5.3
145.00952	3.8
148.68231	2.8
149.06029	2.8
168.02629	4.5
179.27214	2.6
181.09924	2.7
191.08540	4.0
209.09576	46.3
209.15346	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	209.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01610	1.4
53.19450	1.3
54.03463	2.5
55.01857	2.0
55.05487	2.6
56.96550	6.1
59.06104	4.4
60.04522	2.8
61.05627	1.3
63.22902	1.5
63.66257	1.4
67.05475	1.5
67.92514	2.4
70.06581	2.7
79.05479	3.0
81.04533	100.0
81.07048	1.9
82.94840	3.0
83.39731	1.8
84.08139	3.9
86.09734	2.0
86.96491	1.8
89.05984	1.6
91.05482	4.1
95.04930	2.8
105.06990	2.1
107.08591	4.0
110.06036	2.9
110.07130	3.3
121.10124	1.6
122.07146	51.7
123.04439	2.4
123.97475	2.1
134.60576	1.8
135.08058	3.4
139.09782	31.0
140.08176	3.0
149.08200	10.9
163.07530	2.9
163.09793	4.8
164.08226	3.8
167.09306	6.6
181.10837	86.6
186.99248	2.3
208.99083	2.9
209.04466	2.2
209.10548	2.4
210.00957	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05494	13.4
56.96572	33.9
57.03420	19.2
67.05490	27.1
67.92476	14.7
69.07061	20.6
71.04980	53.0
79.05451	16.0
79.46625	15.8
81.07063	30.9
84.04477	22.3
91.05465	48.0
93.07038	37.6
95.04952	29.9
95.08610	58.9
97.06478	17.0
105.07018	19.1
107.08604	100.0
109.06527	38.1
109.10138	41.0
111.08073	28.0
117.07053	17.8
119.08541	25.7
121.10168	66.7
123.08101	42.0
123.97454	27.9
131.08565	16.6
133.10158	43.4
134.80113	16.3
135.08046	49.3
135.11681	30.8
139.11203	17.9
147.11639	20.0
149.09596	53.2
149.13312	27.7
163.03821	19.3
163.07507	24.0
163.14870	21.2
168.02513	20.6
173.13316	28.7
180.53595	14.8
191.14313	62.8
209.07901	19.4
209.15379	33.9
210.07666	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.28778	0.6
57.07064	3.9
62.21927	0.6
66.18681	0.6
67.05493	4.1
67.58438	0.6
69.03400	0.9
69.07043	1.7
71.04976	2.8
73.28084	0.6
73.41020	0.6
79.05501	3.7
81.07043	5.8
86.92814	0.8
91.05470	4.2
93.07034	3.6
95.04973	4.1
95.08598	4.1
97.06548	1.2
105.07017	4.8
107.08584	7.0
109.06508	100.0
109.10145	13.3
110.75418	0.6
111.08070	2.0
117.07018	1.2
121.06540	0.9
121.10143	2.1
123.08084	7.8
131.08553	5.6
133.10141	2.2
135.08051	27.0
143.08618	0.8
145.10074	1.2
147.11702	0.8
149.09619	2.3
150.10445	1.2
153.09074	3.3
158.10892	1.1
173.13242	5.2
176.11916	1.3
191.14282	17.5
192.28113	0.8
209.15324	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	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.07063	4.3
67.05483	5.9
69.03433	1.6
69.07044	1.4
71.04973	4.0
74.78977	0.8
79.05482	3.1
81.07045	5.6
81.90372	0.8
85.06520	1.3
91.05466	4.2
93.07029	3.8
95.04976	5.8
95.08606	4.6
99.76300	1.0
100.11012	0.9
105.07027	4.0
106.88719	1.1
107.08584	6.8
109.06508	100.0
109.10142	17.0
111.08062	2.0
112.56638	0.9
113.97701	1.2
117.07043	1.9
121.10168	1.8
123.04127	1.1
123.08051	7.7
131.08588	6.8
133.10143	2.7
135.08043	27.6
145.10127	1.5
147.11743	1.5
148.08821	1.0
149.09717	1.7
153.09045	2.5
158.10966	1.2
173.13193	6.9
182.83163	1.0
191.14316	17.1
209.15385	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05512	1.9
56.96558	9.1
57.07050	2.8
64.69437	2.1
67.05496	13.7
67.92495	5.2
69.03407	6.1
69.07052	9.1
71.04981	8.6
79.05472	2.4
81.07054	11.3
82.94826	3.1
83.04959	5.3
83.93274	2.2
85.06539	2.8
91.05480	5.8
93.07031	8.5
95.04967	6.7
95.08621	12.8
97.06496	3.0
105.07046	5.9
107.04942	6.7
107.08583	29.5
109.06515	9.2
109.10152	37.1
119.08573	2.8
121.06497	3.9
121.10112	15.2
123.04491	2.9
123.08021	5.3
123.11665	3.9
123.97475	6.6
125.09592	4.6
125.95351	2.5
131.08624	3.3
133.10124	4.3
135.08055	13.7
139.11203	2.5
145.01018	2.8
147.11732	4.6
149.06024	2.4
149.09584	3.0
149.13300	6.5
151.11177	100.0
156.08504	2.4
163.07527	2.7
163.14813	4.8
167.96440	3.0
168.02560	5.5
173.13287	3.7
181.09825	2.9
186.04199	3.2
191.06967	3.7
191.14285	52.0
208.99155	9.0
209.05080	3.7
209.09837	3.8
209.15298	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01850	2.4
55.05484	2.3
56.66935	1.5
56.96542	5.5
57.03405	2.1
57.07053	5.4
61.20223	1.4
61.37341	1.3
63.81451	1.5
67.05482	6.9
69.03393	5.1
69.07045	4.6
70.06568	2.4
71.04976	7.4
73.62556	1.5
79.05473	6.6
81.03402	2.5
81.07034	14.0
83.04951	5.0
83.08606	3.1
84.04472	2.0
91.05460	8.5
93.07014	6.9
94.69980	1.7
95.04946	6.4
95.08591	9.0
97.06515	7.6
105.07018	6.5
107.08578	14.8
109.06508	100.0
109.10121	15.5
111.08044	2.0
113.02334	6.7
117.06976	3.2
121.06551	2.4
121.10131	7.1
123.08076	9.0
125.09637	2.9
131.08556	7.5
133.10139	18.8
135.08035	31.3
135.11671	2.1
137.09590	10.2
145.06491	2.7
147.11673	2.0
149.09613	5.5
149.13225	6.5
151.11160	16.8
153.09117	2.1
158.10945	2.0
163.14775	2.7
173.13254	8.5
181.09856	2.0
186.03842	1.8
191.14284	19.6
208.98959	2.2
209.15369	12.4
210.00519	2.6
221.54440	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	209.19
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
55.05502	36.4
57.07061	19.0
62.71017	6.2
67.05489	24.1
69.07061	100.0
71.04983	23.7
79.05484	7.4
81.07059	43.8
83.08601	31.3
93.07036	20.3
95.08589	46.2
97.06522	58.4
99.87039	7.4
101.93484	7.3
105.06983	7.6
107.08572	17.8
109.06497	10.9
109.10153	22.3
111.08078	19.2
121.10133	10.8
133.72234	7.6
133.89424	6.9
135.11693	17.4
145.00916	10.6
199.18155	8.6
209.15494	11.8
209.18987	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	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02644	34.0
65.24636	34.1
66.73034	37.2
80.68983	49.4
81.58496	45.6
86.38943	37.3
98.03084	34.7
210.94139	100.0
216.86340	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48371	25.6
133.21744	27.8
210.94078	100.0
221.31071	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0752
Annotation	1,2-Anthracenediol
Peak:m/z	Relative Intensity
55.01854	9.2
56.96547	10.1
57.07035	3.0
59.83327	2.4
78.00851	2.9
81.07037	4.0
92.15580	2.6
93.21220	2.5
95.08646	2.8
115.05493	3.9
141.06967	9.9
152.22154	3.2
153.06992	19.2
155.08524	15.7
165.06995	82.9
183.07985	23.5
193.07751	3.7
211.07535	100.0
211.10724	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	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01869	2.8
55.05515	1.5
56.96565	2.6
57.52346	1.0
57.67802	0.9
59.21537	1.1
65.03950	1.0
67.05515	5.0
69.03429	2.3
69.13741	1.0
69.87450	1.1
71.04935	1.0
79.05483	2.6
79.18158	0.9
81.07044	9.8
83.04984	1.5
83.08602	1.5
91.05474	24.0
93.07069	4.2
95.05016	1.3
95.08631	3.7
103.05482	2.1
105.07082	1.6
109.06553	4.1
109.10162	10.5
117.07005	5.4
119.08576	42.3
121.10168	1.4
123.08099	3.4
135.62419	1.0
137.05968	14.4
137.06909	1.1
137.09619	6.3
142.27148	1.1
147.08041	100.0
165.09099	81.3
175.07608	1.7
185.65659	1.1
187.99457	1.7
193.08653	4.3
202.52887	1.2
211.09584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37146	1.1
55.01868	1.3
56.96561	3.2
57.03429	2.0
57.07077	5.9
62.86740	1.2
72.99977	1.4
75.00346	1.4
80.05003	1.4
91.64706	1.3
98.98454	100.0
105.17509	1.4
105.65555	1.5
116.99508	2.1
117.55985	1.5
119.33718	1.3
140.01071	11.8
166.24474	1.8
194.01279	1.5
211.11227	2.0
221.05829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.00299	1.0
53.03936	1.0
53.60676	0.9
55.05500	10.6
55.37434	0.9
55.38754	1.0
55.52315	0.8
56.96552	5.7
57.03414	1.5
57.07063	5.5
59.04977	2.7
65.03931	1.4
67.05495	31.7
69.03420	11.1
69.07056	18.7
70.66639	0.9
71.04980	5.5
71.08621	1.2
79.05486	3.9
79.42696	1.0
81.07045	30.5
83.04977	11.0
83.08604	10.9
85.06525	4.5
91.05478	4.3
91.71717	1.1
93.07039	13.7
95.04943	3.6
95.08596	43.2
97.06524	2.5
97.10162	2.7
98.09806	1.0
99.08081	4.8
105.07018	8.4
107.08592	26.1
109.06506	13.7
109.10148	100.0
111.08061	4.6
111.92933	1.3
113.09646	1.5
117.77822	1.0
119.08569	24.7
121.10145	12.7
123.08073	14.2
123.11696	9.3
125.09635	1.2
133.10115	19.4
135.11682	73.0
137.09613	15.2
138.10382	1.3
139.08412	1.0
139.11176	2.0
147.11653	2.7
149.13263	4.8
151.11174	10.6
151.14818	11.8
153.12708	3.0
164.37402	1.0
165.16376	3.0
175.14799	19.0
189.21759	1.1
193.15869	14.5
210.26820	1.1
211.16888	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	212.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30333	2.5
55.05510	13.1
57.86025	2.2
64.30711	2.3
68.91183	2.1
74.67693	2.3
83.08597	9.6
84.04462	12.9
85.02897	21.2
92.01318	2.6
95.33035	2.4
102.05531	14.3
130.04996	100.0
134.05704	2.9
150.44501	3.0
152.07074	2.5
212.09241	4.1
212.12788	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.8517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60082	3.9
53.75919	4.0
55.16452	4.5
56.20814	5.2
61.02551	4.3
69.03432	5.9
71.59178	5.6
72.08154	18.5
73.02916	12.4
80.31833	5.1
82.62826	5.7
85.02913	9.2
94.93026	9.5
96.04527	5.0
100.25018	5.5
124.07663	8.1
152.49690	8.0
161.69969	5.4
172.53510	5.9
178.56705	5.7
185.02888	6.2
196.04788	9.5
212.17662	11.6
212.85191	100.0
222.24615	6.7
224.31067	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	14.1
57.03429	26.9
59.67446	12.2
61.02919	21.4
69.03412	38.7
72.08132	22.9
73.02899	62.3
81.03386	19.0
85.02888	80.3
86.03685	17.0
92.96002	13.8
94.92982	14.0
97.02851	18.6
97.33781	14.7
114.00620	13.5
126.09206	15.6
131.01991	15.7
142.03510	18.9
143.01894	41.6
161.03011	20.9
184.04546	54.4
196.04774	100.0
212.85193	45.7
213.07466	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58511	1.1
65.16813	1.5
73.69914	1.3
76.10754	1.3
80.59374	1.4
82.15046	1.3
91.05483	8.0
93.05774	1.9
93.07037	14.0
94.06550	3.0
95.04964	6.8
97.72574	1.4
103.05460	14.8
106.06558	5.0
107.04948	19.7
107.07338	5.5
108.08086	4.1
118.06590	2.2
120.08098	100.0
121.06499	74.0
214.12277	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	214.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25823	1.1
50.56311	0.9
51.97426	0.9
54.08044	1.2
58.19056	1.2
72.93795	1.3
79.05479	1.4
88.83307	1.3
91.05473	6.3
93.05769	2.0
93.07030	12.9
94.06571	3.4
95.04965	4.9
101.18731	1.4
102.09183	1.5
103.05459	15.3
106.06554	7.8
107.04950	25.3
107.07329	4.9
107.76268	1.4
108.08088	5.2
118.06498	2.6
120.08099	100.0
121.06497	77.7
134.17885	1.4
150.20209	1.5
214.12242	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	214.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18486	0.9
79.05499	1.4
87.25045	1.1
90.04675	1.0
91.05473	8.2
93.05775	1.8
93.07033	13.6
94.06555	2.3
95.04417	1.0
95.04955	5.1
103.05469	17.0
106.06538	7.1
107.04953	21.9
107.05682	1.5
107.07323	4.8
108.08109	3.1
118.06537	3.0
120.08098	100.0
121.06499	73.1
129.02182	1.0
182.90405	1.0
214.12236	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	214.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75282	0.7
73.56905	1.0
74.06014	0.9
77.03893	1.2
78.11433	0.9
81.48553	1.4
90.04700	2.3
91.05472	8.8
93.07038	13.0
94.06567	1.9
95.04964	4.5
103.05453	13.4
106.06550	5.6
107.04942	23.0
107.07339	4.6
107.67791	1.2
108.08087	3.7
118.06532	2.9
120.08092	100.0
121.06497	79.2
148.25508	1.0
169.46884	1.1
214.12251	15.8
216.73827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39061	0.7
55.06491	0.7
85.51694	0.8
88.38638	0.9
90.04723	1.7
91.05477	9.1
93.05785	1.1
93.07039	14.1
93.35152	0.7
94.06589	2.5
95.04976	4.8
103.05464	15.1
105.04501	1.3
106.06539	7.2
107.04948	21.5
107.07320	4.5
107.82519	0.8
108.08147	3.3
117.33388	0.9
118.06573	3.4
120.08098	100.0
121.06501	73.1
140.50311	0.7
144.33354	0.8
214.12247	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	214.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26795	1.6
80.13525	1.7
84.23613	1.5
89.42244	1.6
90.04677	3.1
91.05489	8.9
93.05751	2.5
93.07034	13.3
95.04945	5.6
103.05470	13.9
105.04471	2.0
106.06550	5.2
107.04945	22.9
107.07325	4.1
108.08099	3.8
118.06516	3.1
120.08094	100.0
121.06493	79.2
142.83870	1.8
162.41008	1.7
171.05150	2.0
214.12224	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	214.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69364	1.7
76.49239	1.7
80.09357	1.5
91.05474	8.7
93.07037	12.4
94.06544	3.0
95.04977	5.0
95.91580	1.6
103.05469	12.5
106.06499	4.6
107.04950	19.2
107.07351	2.8
108.08119	4.1
118.06529	2.1
120.08099	100.0
121.06496	74.1
134.27321	2.1
209.59279	2.0
211.07677	2.0
214.12180	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	214.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54967	1.9
56.96547	2.1
57.24913	1.6
72.93781	4.3
90.04704	2.3
91.05470	9.0
93.05796	5.1
93.07032	11.7
95.04956	4.8
103.05453	14.3
106.06559	7.4
107.04960	24.9
107.07327	4.3
108.08119	4.4
118.06571	2.9
120.08098	100.0
120.08966	5.3
121.06500	76.8
131.93027	2.2
139.02383	2.1
149.94151	2.6
154.94440	2.0
172.95705	3.6
172.97688	3.2
200.25714	2.3
214.12328	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	214.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48674	0.6
51.02355	0.6
54.62558	0.6
55.24902	0.6
55.55537	0.5
69.78474	0.6
72.93774	1.4
73.97906	0.6
80.53384	0.6
84.89412	0.6
90.04675	1.4
90.90353	0.7
91.05477	8.8
91.71644	1.2
93.05778	2.2
93.07040	13.3
94.06570	1.6
95.04962	5.5
103.05460	15.7
105.04497	0.9
106.06564	7.4
107.04954	23.2
107.07343	4.7
108.08093	3.9
113.96403	1.1
118.06528	4.0
120.08099	100.0
121.06501	75.8
121.08376	0.8
122.06770	0.7
123.79127	0.7
134.58905	0.7
145.27663	0.7
150.47278	0.7
172.95535	0.7
172.97681	1.3
214.12250	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	215.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64705	4.5
58.28261	4.6
64.05601	4.0
67.95807	4.2
75.74844	4.5
78.93096	5.0
80.11030	5.1
100.02461	10.4
101.00864	16.2
102.19637	5.0
115.69821	5.2
118.03512	61.3
119.01905	39.6
126.77707	4.3
127.03574	8.3
129.05101	26.0
130.03535	14.4
131.01967	6.2
136.04568	36.4
137.02950	8.9
141.05083	39.4
142.03470	42.3
144.05057	28.7
145.04594	8.8
147.06165	20.2
148.04523	7.6
150.05145	6.0
152.06670	39.4
153.05162	8.0
159.06165	18.3
160.04588	10.9
164.06628	12.5
165.05119	20.3
167.06674	14.9
170.02934	7.8
170.07764	12.8
171.06165	21.4
173.04094	19.9
177.05020	9.1
183.06210	10.3
188.04016	12.3
191.05156	9.2
195.06189	14.2
196.05655	41.2
197.04115	15.7
198.02553	7.0
211.05638	19.7
215.05122	100.0
215.07077	6.0
221.04097	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04199	4.4
60.96999	4.5
67.05480	6.3
79.05500	9.9
80.04996	14.8
81.07042	17.7
88.60746	4.9
91.05468	12.5
92.90090	7.2
93.07052	18.0
95.08607	15.8
105.07026	27.8
106.06559	12.5
107.08585	22.4
109.10130	8.5
115.21968	5.9
117.07021	14.1
118.06521	9.6
118.45985	6.0
119.08567	36.2
120.04466	12.3
120.08115	5.1
121.10155	16.3
124.04001	13.6
131.08557	24.2
133.10155	10.3
134.06027	14.9
136.07574	10.7
145.10129	38.6
148.78554	6.3
153.20050	5.7
159.11684	79.3
159.12895	9.7
162.05428	10.8
173.13254	29.1
174.50436	6.4
174.95432	14.6
180.06468	9.9
215.17934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1229
Annotation	O-acryloyl-L-carnitine
Peak:m/z	Relative Intensity
54.21866	1.4
55.05485	1.9
70.06577	21.1
71.04978	18.2
77.83892	1.6
81.03396	7.2
82.06535	3.6
83.04961	2.5
84.08116	4.1
84.59429	1.8
89.41592	2.0
99.04424	1.8
100.07637	2.9
110.06023	3.5
111.04417	3.4
120.99375	1.8
126.09136	47.1
128.07062	2.2
129.05458	3.8
137.29373	1.8
141.29964	1.8
150.09039	2.8
154.08633	3.3
198.11226	62.5
209.80595	1.9
216.12291	100.0
228.40018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.123
Annotation	O-acryloyl-L-carnitine
Peak:m/z	Relative Intensity
53.03923	1.5
53.86050	1.7
55.05495	1.8
59.85865	1.6
69.03417	3.9
70.06587	24.8
71.04982	23.4
72.08142	3.5
80.05003	1.9
81.03416	10.0
82.06560	4.4
83.04951	7.9
84.04469	5.8
84.08125	9.6
86.06014	2.2
97.02866	3.8
98.06039	2.9
99.04460	3.5
100.07628	3.0
107.25784	2.1
110.06039	5.2
111.04414	4.6
126.08270	4.1
126.09145	58.5
128.07060	4.7
129.05466	4.1
138.05527	2.1
154.08562	2.8
170.11678	2.2
198.11255	68.7
216.12285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.6
53.03926	3.0
55.01856	2.8
55.05505	48.8
57.03412	4.1
57.07071	26.4
58.06580	2.1
59.04982	5.1
60.37066	1.5
61.02905	2.1
67.05495	23.1
68.01723	1.7
68.05029	2.2
69.03389	4.4
69.07059	70.5
70.06581	22.5
71.04980	30.1
71.08604	11.3
72.04510	2.6
72.08128	6.4
73.06528	3.8
78.61193	1.5
79.05464	7.4
81.03412	9.4
81.06607	3.6
81.07046	45.8
82.06548	3.0
83.04974	19.1
83.08607	82.0
84.08118	5.9
85.06509	6.5
85.10144	6.3
86.06046	8.0
91.05495	2.8
93.07028	26.1
95.08598	31.2
96.38091	1.8
97.06525	25.0
97.10157	50.8
98.98460	2.8
99.08079	2.8
100.07631	15.0
101.05997	6.9
104.99963	1.7
107.08598	38.0
108.08157	2.0
109.10118	8.7
110.06001	3.9
111.04448	12.5
111.08077	16.3
111.11731	2.5
114.09139	7.5
115.07560	2.4
121.10144	28.0
123.11707	8.2
125.09626	15.0
126.09147	53.1
128.10728	4.3
129.05460	5.9
129.09052	2.5
135.11665	5.9
137.13261	2.4
139.01891	2.8
139.11177	8.3
139.14763	3.5
144.02386	3.8
154.08559	4.8
155.07034	10.0
162.03419	4.7
163.14803	80.0
168.10164	2.5
173.08092	8.4
180.10225	2.4
181.15851	44.1
185.04991	2.2
198.11250	59.5
198.18494	21.2
199.16837	3.3
216.06575	3.8
216.08620	5.1
216.12292	100.0
216.19540	8.7
217.10658	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	217.1183
Annotation	4-(gamma-L-glutamylamino)butanal
Peak:m/z	Relative Intensity
55.05498	4.4
56.05025	2.5
60.04506	1.4
60.40933	1.1
70.02931	2.3
70.06580	18.3
70.90771	1.1
72.08131	4.5
74.06074	2.3
82.06567	3.3
83.04960	8.9
84.04494	57.6
84.08135	3.9
85.02882	2.9
86.06058	1.2
88.07623	100.0
95.40198	1.3
96.04455	1.6
98.28558	1.3
100.07623	2.7
101.06032	2.7
102.05552	1.7
102.67480	1.5
111.04430	8.4
111.14449	1.2
114.05536	3.8
114.09173	2.0
114.68602	1.2
116.07072	7.0
119.01917	1.9
124.99149	1.4
128.07054	3.1
130.05006	7.9
139.63054	1.3
142.03590	2.1
154.08649	3.1
155.06987	9.2
157.09747	3.8
158.08168	3.7
160.79742	1.5
168.02451	1.7
171.11285	6.0
173.08018	7.1
174.07574	3.6
175.06012	1.4
200.09166	64.4
216.03600	1.4
217.11713	8.6
218.04681	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	217.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79382	1.3
55.05493	6.6
56.05023	6.0
56.23325	1.5
70.26568	1.4
71.08302	2.4
71.08627	26.7
74.02429	2.9
82.60149	1.5
83.04966	8.4
83.06117	2.7
84.04494	100.0
85.02891	6.9
88.11259	96.7
88.98739	1.4
89.06016	2.2
97.92958	1.6
101.06026	2.5
102.05534	4.3
111.04449	15.1
129.05479	3.0
130.04996	36.2
141.24611	2.1
144.06938	2.3
144.08069	50.0
155.07010	14.9
171.14925	14.8
173.08107	11.4
200.12793	56.3
217.10667	6.0
217.15448	17.9
228.05679	2.2
232.95923	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1545
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.05492	1.9
56.05024	2.4
57.97822	1.1
69.81285	1.2
71.08617	22.8
83.04952	2.3
84.04492	77.1
85.02896	4.1
88.11259	100.0
93.18047	1.4
102.05537	3.3
111.04428	3.5
115.54527	1.4
125.34963	1.3
130.04990	19.5
130.05893	1.6
155.07021	3.2
171.14925	12.1
173.08113	3.3
200.12799	54.6
217.10805	2.0
217.15475	17.3
217.81995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
55.05502	16.2
61.88128	3.1
67.05492	31.3
69.07051	11.9
79.05479	7.7
81.07047	40.2
83.04957	7.8
88.82098	3.0
91.05473	13.4
93.07041	22.9
94.61258	3.0
95.08601	59.2
105.07014	37.1
107.08581	29.7
109.10152	56.7
111.04449	10.5
119.08591	29.0
120.95506	3.2
121.10136	22.2
123.11687	19.2
128.61630	3.2
133.10135	24.5
135.11705	13.9
145.10129	3.5
145.19345	3.6
147.11682	28.1
155.07028	13.1
161.13243	58.9
173.08134	7.9
174.95352	3.6
175.14769	5.4
196.25397	3.1
202.17119	3.6
217.10570	11.7
217.12619	7.1
217.19492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14259	1.9
72.08115	5.9
84.04465	2.6
96.30409	2.4
114.09146	7.9
139.30057	2.3
142.79956	2.3
148.11809	2.5
174.07585	4.3
218.04555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67209	0.4
56.96547	0.6
58.41796	0.4
59.03346	0.4
60.85724	0.4
65.54617	0.4
66.34087	0.4
70.06581	100.0
71.01337	1.0
72.08149	0.5
73.27955	0.4
81.12211	0.4
86.06079	0.5
86.98261	0.4
88.32296	0.4
91.05483	0.4
98.06042	2.2
98.97546	0.6
105.29102	0.5
116.98638	0.6
137.05960	0.8
154.08592	0.5
159.02876	0.5
162.09222	0.5
190.08644	1.5
218.08185	7.9
218.10306	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	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	9.5
70.06584	19.1
71.08617	6.5
88.07621	23.1
91.71039	3.1
102.09173	4.2
106.08644	11.2
108.55766	1.6
109.61348	1.3
200.20105	8.8
218.21143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14972	57.1
55.78976	41.9
59.59597	40.9
60.70093	41.2
71.46886	39.3
77.98061	48.3
92.49342	46.1
95.57992	49.2
105.85994	51.5
176.90529	50.5
211.14163	50.9
219.02646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39871	56.9
59.62223	58.0
61.10473	64.5
94.41299	72.2
129.15492	68.7
166.14915	75.1
219.02730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
60.07537	3.3
61.02925	23.9
67.06376	3.1
71.01340	47.6
73.75027	3.0
75.04477	72.1
82.11819	3.8
87.04444	25.6
89.02386	8.0
92.22880	3.7
101.61108	3.5
103.03938	77.0
103.50503	3.4
131.03407	10.3
154.74861	3.6
159.02895	100.0
187.02342	6.9
219.04984	10.2
222.54298	3.8
225.66472	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	219.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.7
55.05495	19.0
56.96556	24.5
57.03425	19.2
63.06020	7.9
67.05505	21.7
69.03413	37.7
69.07076	14.2
71.04970	15.8
73.02914	9.2
79.05450	12.6
81.03408	31.8
81.07047	15.7
83.04967	31.3
84.04493	19.2
85.02891	22.9
87.04428	11.8
91.05473	27.8
95.04957	36.0
96.61932	8.6
97.02888	30.6
98.97643	13.8
99.04446	14.0
99.42946	9.8
101.02396	10.9
105.04626	11.0
109.02920	10.8
109.06477	12.9
111.04456	35.0
115.05463	34.5
117.07023	17.7
118.06509	24.8
120.08140	11.7
123.04445	32.2
127.03928	28.0
129.05475	18.1
132.08066	19.5
137.06026	23.8
141.05472	21.3
146.05991	23.8
153.05458	19.7
154.94194	12.0
155.07051	12.5
160.05232	50.3
160.07596	62.7
175.07510	52.3
183.06630	28.6
191.08136	14.9
201.05460	11.7
201.07547	13.7
202.08679	33.7
203.14375	28.9
204.50360	10.4
219.06407	32.6
219.08363	22.1
219.11301	24.8
219.17419	100.0
222.37640	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	219.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.7
55.05495	19.0
56.96556	24.5
57.03425	19.2
63.06020	7.9
67.05505	21.7
69.03413	37.7
69.07076	14.2
71.04970	15.8
73.02914	9.2
79.05450	12.6
81.03408	31.8
81.07047	15.7
83.04967	31.3
84.04493	19.2
85.02891	22.9
87.04428	11.8
91.05473	27.8
95.04957	36.0
96.61932	8.6
97.02888	30.6
98.97643	13.8
99.04446	14.0
99.42946	9.8
101.02396	10.9
105.04626	11.0
109.02920	10.8
109.06477	12.9
111.04456	35.0
115.05463	34.5
117.07023	17.7
118.06509	24.8
120.08140	11.7
123.04445	32.2
127.03928	28.0
129.05475	18.1
132.08066	19.5
137.06026	23.8
141.05472	21.3
146.05991	23.8
153.05458	19.7
154.94194	12.0
155.07051	12.5
160.05232	50.3
160.07596	62.7
175.07510	52.3
183.06630	28.6
191.08136	14.9
201.05460	11.7
201.07547	13.7
202.08679	33.7
203.14375	28.9
204.50360	10.4
219.06407	32.6
219.08363	22.1
219.11301	24.8
219.17419	100.0
222.37640	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	219.1128
Annotation	Donaxanine
Peak:m/z	Relative Intensity
50.81511	1.1
55.01854	2.3
55.05495	3.5
56.28478	0.9
59.39704	1.3
60.04524	8.1
70.06580	14.1
70.16772	1.1
71.01343	6.2
71.06911	1.9
72.08144	17.2
75.04464	2.0
80.05002	4.7
82.06564	1.9
86.09699	6.6
91.05508	1.3
99.04450	2.0
103.03915	3.4
112.48360	1.3
112.73837	1.3
120.06560	2.5
121.64626	1.3
122.06047	1.3
131.03397	3.8
132.10178	3.0
134.09657	3.8
136.07558	1.4
138.05466	2.3
144.10509	1.3
145.01347	1.5
152.07019	3.0
158.57471	1.3
159.02914	3.6
160.04140	1.5
162.09129	46.1
164.07039	4.5
173.12851	2.0
178.08600	1.3
190.08617	100.0
219.08473	5.7
219.11270	41.1
219.13405	2.5
219.17337	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.35350	2.1
54.08183	1.8
55.01866	3.9
55.05493	6.2
56.96550	9.1
57.03426	5.7
57.07058	2.5
59.22598	2.0
60.65111	2.2
61.98684	2.0
65.03899	2.4
67.05492	12.7
69.03402	2.6
69.07036	4.0
70.36304	1.7
71.04972	6.3
76.25710	2.0
77.80508	1.9
79.05479	10.5
81.07045	13.0
85.06558	2.9
88.07662	3.4
91.05477	32.6
93.07035	8.5
93.53933	2.2
94.91531	2.1
95.04935	3.2
95.08601	2.4
105.07025	45.6
107.08569	2.9
109.10146	2.1
115.05461	7.2
117.07014	43.7
119.08567	21.1
121.06591	2.3
121.10069	2.5
128.06227	4.0
129.07021	15.0
130.07774	7.1
131.01245	2.1
131.08569	44.0
133.06502	2.6
133.10120	7.4
136.07489	2.8
141.06970	6.3
143.08566	4.5
144.09357	7.1
145.10126	24.6
147.08067	17.7
155.08525	14.2
157.10097	14.6
159.08083	5.6
159.11685	100.0
160.11867	2.3
164.54547	2.5
168.09349	3.1
173.13246	14.8
183.11671	16.2
191.57272	2.6
201.12744	27.8
203.14305	5.0
218.21204	4.6
218.98376	2.5
219.08331	3.8
219.13771	64.7
219.17206	20.6
219.21356	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	219.1743
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
52.38730	1.0
55.05473	1.5
56.96551	1.8
57.56794	1.1
65.15935	1.1
67.05474	2.9
69.07019	2.0
79.05489	1.2
81.07057	2.6
91.05477	3.2
93.06989	1.6
99.38610	1.2
105.07015	3.9
107.08533	2.4
111.49953	1.3
116.07185	1.3
117.06934	1.8
119.08564	6.4
121.10123	5.2
123.53680	1.1
131.08487	1.2
133.10120	4.4
157.10168	1.5
161.13220	4.4
173.09602	1.3
175.14838	1.9
187.11116	1.8
188.11942	1.6
203.14314	29.2
219.17418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	SCHEMBL4407385
Peak:m/z	Relative Intensity
53.03940	2.3
54.48608	1.9
55.05482	2.9
56.96559	6.8
57.07066	3.6
67.05494	7.0
69.07047	3.6
72.05759	1.9
78.18885	2.5
78.74496	2.0
79.05489	6.3
81.07044	11.1
91.05482	6.8
93.07036	11.7
95.04967	2.5
95.08591	5.1
105.07047	3.2
107.08584	18.2
109.06513	8.6
109.10162	11.0
111.08131	2.4
115.54233	2.1
119.08585	4.9
121.10159	6.1
123.11735	4.6
123.76477	2.3
125.09630	26.4
133.10100	3.5
135.08047	3.6
135.11685	44.7
141.23601	2.4
151.11174	100.0
161.13295	3.9
163.11229	4.4
180.09200	2.9
201.16373	4.7
219.17418	42.9
233.39548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
54.29409	1.3
55.78190	1.3
57.07063	7.7
59.04985	3.9
65.18137	1.4
67.05491	6.7
69.07063	4.9
70.02941	6.1
72.04510	11.5
73.02918	2.4
80.68242	1.6
83.04933	1.8
84.04504	2.7
85.06538	8.8
86.90265	1.7
90.05550	100.0
91.05476	4.5
91.71209	1.8
95.04961	7.4
96.08122	3.4
98.02419	12.6
100.03955	2.7
101.50900	1.7
103.07577	6.2
108.84561	1.8
113.05973	3.3
116.03468	12.7
119.04916	2.4
124.07571	14.5
133.31116	1.7
137.05989	11.1
142.08609	9.3
166.08607	1.9
184.09679	18.2
202.10701	20.5
205.15878	3.8
218.07997	2.2
220.09700	61.7
220.11823	31.4
220.17838	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0784
Annotation	Carbamorph
Peak:m/z	Relative Intensity
56.96549	11.6
57.07058	8.4
68.88967	3.3
70.06586	7.8
75.08425	3.7
87.49595	4.1
92.25497	3.5
92.82684	3.8
98.97597	11.5
107.04953	17.0
110.06002	3.8
116.98637	13.4
131.21919	3.5
134.99655	5.6
139.16658	3.5
140.00194	18.1
158.01266	13.5
181.02844	25.1
183.03262	4.2
198.35660	4.1
199.03883	6.0
221.04459	9.1
221.07776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01863	3.0
56.96568	7.4
57.03431	6.7
61.02930	4.6
67.05514	2.5
69.03441	7.7
73.02921	11.5
77.25510	2.2
81.03413	5.4
84.04537	2.7
85.02904	15.6
85.97645	2.0
91.05527	4.3
94.06596	4.1
97.02901	15.0
98.97552	15.4
99.04482	5.0
100.51583	2.2
108.08183	2.5
109.02920	4.0
110.97572	3.5
116.98685	6.2
127.03963	3.3
128.98569	2.4
130.06523	55.8
130.07414	3.0
132.04454	39.5
132.05403	2.7
133.06541	3.1
134.06047	2.2
140.00266	7.1
152.00266	3.6
157.07576	25.7
158.06009	75.9
158.99712	4.8
175.08670	100.0
176.07080	2.8
178.08281	3.5
189.00804	2.5
196.44952	2.5
200.02353	3.1
201.00790	3.3
204.06599	4.4
212.02377	4.1
220.09734	4.3
221.09341	23.8
237.02907	3.7
237.13351	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	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96550	1.8
69.03397	2.4
71.91271	1.6
73.02893	3.4
79.68859	1.8
81.81467	1.7
82.02940	3.1
85.02885	3.8
93.29261	1.7
94.06557	5.7
97.02895	3.8
98.97564	3.9
103.05460	2.1
105.81550	1.7
123.24541	1.6
127.03968	2.2
130.06520	67.3
132.04442	48.8
134.06049	4.3
145.04976	1.9
148.07549	2.2
157.07590	25.6
158.06006	81.5
161.06020	2.2
162.05530	4.1
175.08656	100.0
176.07123	2.5
204.06577	6.4
221.09268	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	221.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.49413	1.2
56.96564	8.3
56.96776	1.2
57.07055	2.8
59.33364	1.2
65.89454	1.4
91.05475	9.5
92.20533	1.3
98.97565	18.1
105.03384	10.9
105.06994	3.6
109.23800	1.6
115.05441	44.1
116.98620	13.7
134.99631	9.1
140.00177	16.8
143.04918	23.9
147.11700	1.9
158.01228	11.7
176.02306	1.6
178.07770	7.2
181.01312	2.1
181.02820	15.6
184.07570	4.6
193.10138	9.8
202.07750	33.4
203.08546	52.5
221.09601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
55.01855	9.9
56.96552	10.3
57.07070	17.9
71.04971	6.4
71.57781	1.6
83.15841	1.7
88.30492	1.8
91.05472	4.6
95.08604	2.8
98.97579	22.2
105.07026	14.8
105.21077	2.0
108.04498	3.2
115.53037	1.8
116.98630	16.6
119.08566	3.0
121.06504	4.8
123.04415	2.2
133.06454	3.3
133.10155	12.2
134.99657	8.2
137.05984	19.6
137.31773	2.1
140.00183	21.1
145.06523	2.7
146.07242	4.0
147.07954	4.3
158.01250	17.3
161.09602	100.0
162.25545	2.5
165.05457	39.4
175.11182	20.5
178.37239	1.9
179.10675	40.8
180.06563	2.8
181.02852	17.6
199.03827	2.6
203.10646	18.6
221.04276	2.7
221.11713	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	221.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50405	0.6
64.43262	0.6
68.05019	0.7
70.06580	100.0
79.05501	1.1
93.45557	0.7
106.06570	2.6
106.67371	0.6
107.04937	8.8
113.77578	0.7
134.06082	1.9
135.04404	7.9
137.05887	0.9
148.96999	0.8
152.07048	21.4
152.08258	1.0
161.05951	0.9
161.51234	0.8
162.05406	4.4
164.07036	8.4
176.79471	0.8
178.08629	5.1
190.25330	0.7
204.10242	1.2
221.10658	1.5
221.12904	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	221.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42154	1.1
55.05494	2.0
56.96300	1.6
56.96559	22.5
57.07061	5.1
64.95051	1.3
67.05482	3.7
69.07052	3.5
70.06561	2.0
74.87617	1.2
79.05486	3.2
81.07042	6.8
91.05464	4.2
92.08619	1.2
93.07009	2.5
95.04977	2.0
95.08591	5.0
98.97575	35.8
105.07025	4.8
107.08597	2.6
107.38243	1.3
109.06514	2.8
109.10159	2.3
110.68463	1.3
116.97787	1.6
116.98608	28.4
119.08594	5.0
120.08104	1.5
121.10114	1.4
121.34457	1.4
123.08045	2.6
130.27170	1.3
133.10088	3.8
134.99648	25.4
137.06007	2.4
137.09552	2.2
140.00177	41.1
153.00729	4.2
158.01247	45.4
161.09653	3.1
161.13258	5.2
176.02295	5.7
181.02826	100.0
182.03163	5.0
199.03862	11.2
203.14314	2.4
220.20595	1.5
221.09592	2.3
221.15378	6.9
222.05435	7.9
231.42035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	9.8
59.89813	4.9
60.37537	5.9
62.83163	5.1
64.94392	4.7
65.45372	5.2
71.07371	13.7
73.92029	5.8
74.06049	5.9
85.02893	9.5
86.09693	100.0
91.71557	7.5
140.00237	6.7
156.97444	37.6
161.98007	9.5
162.95526	54.1
174.98528	50.1
179.99068	33.8
181.02811	7.9
198.00134	27.3
198.98508	8.0
203.00638	44.6
204.86659	7.3
216.99580	8.6
221.01770	13.3
222.00168	27.3
222.02940	73.3
240.01250	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	222.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07369	17.5
73.40044	6.8
82.01130	7.3
86.09702	100.0
90.63202	7.2
114.03102	8.8
140.94022	6.8
148.34859	9.1
162.95584	54.0
179.99055	12.3
222.02907	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
50.30492	1.0
54.38517	1.1
56.96558	13.0
67.19669	1.2
70.06570	2.2
71.95264	1.3
79.05457	4.0
84.04419	1.4
89.03919	3.7
95.04959	1.2
98.96950	2.4
98.97575	39.1
106.06558	10.4
107.04918	1.2
116.04955	12.8
116.98614	32.7
134.06018	26.9
134.99657	18.2
135.04405	18.4
139.99146	2.1
140.00197	37.7
144.04433	2.8
153.00685	1.6
157.07643	2.7
158.01260	33.6
162.05492	100.0
176.02296	3.4
176.07193	1.9
180.06519	4.8
181.02841	48.5
194.07990	1.7
199.03844	4.9
203.80573	1.5
221.77985	1.4
222.05737	3.2
222.07587	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	exalamide
Peak:m/z	Relative Intensity
53.00278	1.1
56.96557	2.9
57.07049	3.6
66.63068	1.0
69.07034	2.2
76.75823	1.3
84.08076	1.3
91.05446	2.7
95.04974	1.4
98.70842	1.1
98.97576	11.4
101.54009	1.2
102.75474	1.3
103.05465	16.5
107.04937	4.7
116.98601	9.8
117.06977	6.1
121.06517	2.5
123.04429	2.4
131.04005	2.3
131.04921	34.0
132.05724	1.3
134.99634	5.5
137.05943	5.6
140.00159	11.6
144.05705	1.3
145.06462	13.3
149.05972	100.0
158.01245	7.7
159.11719	1.9
162.06703	4.0
163.07527	15.7
166.08572	2.1
176.08252	1.4
181.02817	11.9
187.11221	1.5
199.03853	1.5
205.12222	49.6
222.14868	48.8
228.81075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	5.7
57.07058	1.6
61.61411	1.1
69.04160	1.2
72.34738	1.1
86.09681	1.7
91.05466	1.5
98.97566	15.7
103.05469	14.6
107.04923	5.6
115.05428	2.0
116.98605	14.3
117.07010	14.6
121.06485	1.9
123.04395	5.3
124.03944	1.3
131.04918	42.5
131.08585	2.9
134.99673	8.4
137.06006	7.6
140.00188	15.0
144.41072	1.3
145.06468	21.8
149.05969	100.0
153.10605	1.4
158.01263	17.5
159.08044	1.6
162.06754	1.7
163.07526	25.3
164.81049	1.3
181.02861	19.4
187.11096	3.6
188.00827	1.3
199.03944	2.2
205.12209	59.8
222.05447	2.2
222.14864	54.9
236.88347	1.6
240.36783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98648	0.3
55.95789	0.2
56.96557	18.3
58.06575	0.2
63.09621	0.1
67.05480	0.3
68.04999	0.4
69.07039	0.3
71.95263	0.9
79.05457	0.3
80.05028	0.2
80.98946	0.4
81.07049	0.4
82.07413	0.2
86.09688	0.2
91.05460	0.3
93.07037	0.3
94.06522	0.2
94.52961	0.2
97.99171	1.4
98.97569	42.3
105.07054	0.2
106.06572	0.4
106.07339	0.2
116.00201	0.8
116.98609	37.3
121.06477	0.2
122.06010	0.9
134.01224	0.7
134.10405	0.2
134.99646	28.6
139.01796	0.4
140.00171	51.5
141.00563	1.1
152.07104	0.2
153.00696	3.4
153.07866	0.2
157.02849	1.5
158.01237	52.5
159.01607	1.3
175.03868	0.2
176.02295	5.7
176.14345	0.3
177.02657	0.2
181.02826	100.0
182.03191	4.1
188.67534	0.2
199.03883	9.0
200.04192	0.3
204.13814	0.5
222.00508	0.3
222.05479	7.2
222.07674	0.4
222.11324	0.2
222.14880	1.2
223.05762	0.6
224.07002	0.3
232.55600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53446	0.3
52.52957	0.3
56.96557	25.0
60.52192	0.3
68.45029	0.4
71.95251	1.6
81.07001	0.3
81.59176	0.3
91.05450	0.8
97.99164	1.9
98.97571	57.7
113.15991	0.4
116.00217	1.2
116.98608	50.6
119.08581	1.9
121.10143	0.4
132.59950	0.4
133.10143	0.6
134.01225	1.0
134.99646	35.4
135.08011	0.8
137.09615	1.6
139.01743	0.5
140.00174	60.1
140.58682	0.4
141.00568	1.7
149.13243	0.5
153.00687	4.5
157.02782	1.2
158.01239	64.2
159.01628	1.8
161.09586	0.6
166.12227	0.4
176.02295	7.1
177.12726	15.2
181.02827	100.0
182.03195	4.8
199.03888	8.8
200.04205	0.8
222.05466	7.8
222.14960	0.5
222.18524	3.5
223.05721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.24337	0.4
55.20227	0.4
56.96553	0.9
57.06799	0.7
57.07068	10.0
57.42950	0.3
65.03929	4.4
65.84120	0.4
86.65134	0.4
93.03393	0.8
98.97574	2.3
99.97926	1.0
111.04430	0.9
116.98623	2.4
117.20716	0.4
117.98935	0.7
121.02872	7.9
121.03827	0.9
134.99606	1.1
140.00194	2.9
141.00482	0.9
149.02332	100.0
150.02643	0.7
158.01224	2.1
159.01570	0.9
167.03374	2.0
181.02789	3.0
182.03152	1.6
190.04991	5.5
205.68765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	gamma-glutamylanilide
Peak:m/z	Relative Intensity
53.03946	1.8
55.05508	3.3
56.05023	4.5
56.96556	14.7
57.03421	4.0
57.07074	2.1
67.05479	1.7
69.03421	7.0
71.04993	5.9
72.08138	1.7
80.05035	1.8
81.03414	13.9
83.04987	2.2
84.04498	100.0
84.08126	1.7
84.96027	8.0
85.02886	7.3
91.05477	3.7
93.07041	2.4
94.06560	87.2
95.04959	5.7
95.08582	1.8
96.02927	1.4
97.02863	2.7
97.99149	1.5
98.97582	7.3
99.04454	2.4
102.05534	2.1
104.26941	1.7
105.07033	2.1
107.05015	1.6
108.04470	5.1
109.02892	7.0
111.04424	2.0
116.98620	5.4
121.02869	3.0
121.06497	2.2
123.04402	3.2
129.47893	1.5
130.05009	27.2
134.99672	4.0
135.08087	2.4
140.00203	7.3
140.98589	1.6
149.02367	5.7
149.09612	1.6
158.01237	5.5
158.99681	3.1
163.07588	2.3
177.00699	6.0
177.05469	3.2
177.09061	2.1
180.84079	2.0
181.02843	11.5
182.01222	6.9
182.03033	2.4
200.02351	7.4
205.04929	2.3
205.08565	2.7
206.08136	11.1
223.03915	12.1
223.05983	7.0
223.11160	8.2
224.09076	2.6
225.52844	1.9
241.04793	2.5
241.73251	1.7
242.61288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1076
Annotation	Phe-gly
Peak:m/z	Relative Intensity
53.03926	1.5
55.01859	1.4
56.05018	1.2
56.96558	9.5
57.03416	2.1
61.02912	1.7
61.95200	0.8
65.37451	0.7
67.05491	1.3
69.03414	3.3
71.04993	1.2
72.08133	1.7
73.02888	1.6
75.40878	0.7
79.05481	2.1
80.05008	2.7
81.03411	10.9
83.04964	2.2
84.08129	1.1
84.96031	4.5
85.02904	2.2
86.09703	2.1
91.05469	3.7
93.07021	2.4
95.04955	2.7
97.02887	4.4
98.97584	2.0
99.04461	2.0
103.05450	5.6
107.04955	3.1
107.08604	1.1
108.04487	7.8
109.02870	4.4
111.04446	2.4
115.03895	1.6
116.98628	2.1
120.08093	100.0
121.02838	1.0
121.06467	2.2
123.04401	1.9
127.03896	2.0
131.04910	2.6
131.08580	1.2
132.08005	1.1
134.06039	0.9
134.99666	1.5
137.05994	1.8
140.00221	3.2
149.02327	2.6
149.06000	3.6
151.03909	1.0
158.01254	2.3
158.99666	1.8
159.08028	1.4
163.07547	2.6
164.07005	1.0
166.08620	28.1
167.07117	0.9
177.00694	4.6
177.05482	2.9
177.08899	1.3
177.10301	8.0
178.04987	1.5
178.08644	1.5
181.02882	3.3
182.01195	5.1
184.84061	0.9
185.84079	1.1
200.02293	5.4
205.04968	3.1
205.08603	2.9
205.10684	1.3
206.04536	1.7
223.03896	8.2
223.06007	6.7
223.10873	4.1
223.14551	1.4
224.09180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	9.1
60.69809	1.0
65.49491	1.1
65.87511	1.1
80.32533	1.1
84.96016	3.5
91.05468	7.0
93.49972	1.2
95.04965	4.0
98.97572	22.1
99.97910	4.3
103.05442	2.5
105.03389	25.8
115.05463	5.2
116.98615	16.0
117.07016	36.0
117.98970	4.2
134.99657	7.5
136.00015	2.4
137.42061	1.1
138.02966	1.4
140.00182	16.4
140.76585	1.2
140.98679	1.4
141.00529	4.0
145.06479	100.0
155.06027	8.1
158.01239	11.1
158.99617	2.5
159.01608	4.2
176.02382	1.6
177.00620	3.2
181.02872	17.0
182.01262	4.0
182.03189	5.4
187.88127	1.3
190.07712	3.2
196.44756	1.4
200.02312	4.0
203.08592	2.3
204.09348	2.0
205.10130	13.4
223.03960	4.7
223.11159	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	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
54.20290	5.0
55.01878	4.8
55.05500	13.2
56.96565	32.0
57.07060	6.8
59.04984	6.3
65.13815	5.7
67.05492	27.0
69.03422	10.0
69.41090	5.0
72.76849	5.5
75.66364	5.4
81.03412	25.3
81.07048	9.2
83.04969	100.0
84.96042	12.7
91.05487	14.9
93.07043	46.9
95.04966	13.1
95.08600	35.8
97.02916	7.3
97.06522	12.8
97.99241	6.8
98.97589	26.0
99.97936	10.5
105.06991	7.4
106.93332	6.2
107.08587	15.5
108.04469	11.3
109.02858	15.0
111.08074	65.1
112.66128	5.8
115.52216	5.5
116.98593	30.6
117.07034	7.4
117.98913	6.2
119.08619	13.4
121.06480	41.9
121.10156	10.5
125.05984	6.0
134.99686	22.1
135.08057	13.8
135.11671	16.1
137.09651	7.4
139.07564	24.5
139.68172	6.0
140.00211	33.9
141.00548	16.5
145.10117	7.5
147.08083	7.5
149.02292	13.8
158.01236	44.1
159.01633	14.5
159.11723	20.8
162.21384	5.7
163.11217	15.0
165.09119	27.7
177.00739	17.1
177.12811	12.5
181.02881	58.4
181.12279	18.2
182.01263	24.2
182.03091	31.3
187.11218	22.8
199.03909	9.3
200.02341	29.3
200.04102	7.0
205.12234	32.9
222.05560	8.7
223.03918	36.8
223.05975	14.2
223.11147	12.7
223.13281	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1441
Annotation	Isokuraramine
Peak:m/z	Relative Intensity
53.03928	2.0
55.01852	2.7
56.28163	1.9
56.96552	6.8
57.03411	4.2
57.34538	2.1
69.03403	5.1
70.06596	3.9
72.75422	2.6
77.72311	2.1
79.05484	2.5
80.04998	8.4
81.03398	9.0
84.96036	4.9
85.02914	2.6
91.05463	6.9
93.07009	2.5
95.04982	4.5
97.02857	4.6
98.97565	5.3
105.06988	2.4
106.06514	3.2
107.04915	3.0
108.04507	12.2
109.02876	3.0
110.03209	2.5
111.04463	4.0
111.30446	3.3
115.03955	2.4
117.07022	4.3
118.06593	2.5
121.06522	5.5
127.03907	3.6
128.06195	3.1
131.08531	4.1
135.08052	2.5
136.07568	4.4
143.08568	3.3
148.11226	3.2
149.02225	2.6
149.05956	3.3
150.09111	12.3
154.08557	3.6
159.08040	4.8
160.11203	70.7
161.09534	2.5
162.09140	4.2
163.07515	3.6
164.07021	6.1
170.09644	5.2
173.08325	7.3
176.10660	2.6
177.00693	4.6
177.05402	3.1
178.08614	5.4
178.12273	5.3
181.02847	2.7
187.12329	2.8
188.10693	37.9
194.11736	3.2
200.02066	2.5
205.13301	8.4
206.08301	5.6
206.11766	67.8
223.03822	3.6
223.05931	10.5
223.11128	5.2
223.14395	100.0
224.09195	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	224.0917
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
53.59584	0.5
54.01205	0.5
56.96561	1.1
60.04509	0.6
61.02973	0.5
61.68024	0.6
63.94331	0.5
69.03422	0.5
70.06578	1.4
74.06084	0.6
79.05475	0.5
84.04488	0.8
84.08125	1.4
85.02919	0.7
86.09691	0.6
87.00867	0.7
91.05463	3.1
95.04946	0.7
108.54646	0.6
118.06528	1.6
119.04932	2.8
129.10196	0.6
129.38550	0.6
134.33778	0.6
135.04395	1.8
136.07497	0.8
137.05975	11.6
146.05997	1.3
147.04407	1.4
149.04692	0.9
163.03880	1.5
164.07056	100.0
178.08607	4.8
192.06581	0.7
203.17059	0.5
206.11644	0.9
224.09158	16.8
224.12613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
66.35092	0.6
91.04974	0.6
91.05476	3.3
91.71622	1.4
115.05449	2.0
119.04156	0.9
119.04935	1.8
126.03729	3.3
133.06496	0.7
135.04414	1.2
137.05971	11.7
143.04918	2.1
145.06406	0.8
159.75775	0.8
160.07608	0.9
161.05913	6.0
163.06204	1.8
164.07039	1.9
166.65025	0.8
177.05482	0.8
178.08618	100.0
179.08835	0.7
207.06502	1.5
224.09146	27.2
241.29906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71305	1.2
51.72523	1.1
55.01857	2.4
55.20496	1.3
56.96556	2.9
57.03429	2.1
60.73132	1.4
67.05487	1.8
69.03405	1.9
79.05473	2.8
80.41551	1.2
81.03422	3.6
82.74268	1.2
83.04971	2.0
83.58646	1.4
83.63074	1.4
84.88450	1.3
85.02892	2.7
85.86546	1.2
91.05485	5.7
95.04967	3.8
97.02917	2.7
99.04458	1.9
103.05465	2.4
105.07031	3.1
106.06548	2.3
107.76794	1.4
108.39024	1.3
109.06499	1.9
109.78987	1.4
111.04459	3.9
115.05453	2.5
119.01884	3.1
119.04975	1.9
121.01077	6.8
123.02633	2.1
123.04418	2.5
125.05992	2.7
127.03932	3.0
133.05263	4.1
133.06516	3.4
134.06027	6.4
135.06778	3.1
136.07588	4.1
137.06029	2.2
138.03656	1.5
139.02115	4.2
142.03525	4.4
146.06013	4.4
147.06772	9.7
149.00562	45.0
151.02158	3.4
151.07513	2.8
153.03671	3.0
161.05965	3.6
162.03749	2.5
163.02164	3.5
165.05293	6.7
166.03206	16.5
179.07045	3.8
180.04787	13.0
183.59280	1.4
197.08159	1.9
207.06468	5.3
207.08360	2.0
208.04268	100.0
209.04659	2.5
225.07227	5.7
225.09532	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05517	4.4
56.96584	2.6
57.07084	5.4
58.84559	2.0
62.24268	2.1
67.05510	3.5
68.39693	2.6
69.07076	8.7
69.11034	2.5
71.01373	3.2
71.04980	46.8
71.05331	3.5
79.05509	4.0
80.08785	2.6
81.03416	2.6
81.07056	9.6
83.04973	3.9
83.08624	5.9
89.44622	2.5
91.05501	5.9
91.70963	3.2
93.07087	3.6
95.04963	5.6
95.08630	12.0
97.06531	15.4
99.04444	100.0
101.95047	3.2
105.07049	3.7
107.08572	38.2
109.06510	26.5
111.04468	2.8
111.07996	2.7
113.09641	3.4
119.05083	2.8
119.08596	3.6
121.10122	17.3
123.08072	20.7
123.11712	18.1
125.09624	8.4
139.11226	5.3
147.11752	9.1
149.09612	15.6
151.07556	4.8
151.54863	2.8
165.05077	3.1
165.12674	15.0
167.10651	24.8
183.13820	36.7
184.00372	6.5
189.12848	7.3
207.13902	11.6
208.06361	3.2
225.14809	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.10913	0.9
55.05512	1.5
56.96561	3.3
56.99072	0.9
57.03436	1.0
57.07082	3.1
65.04324	0.9
67.05509	3.6
69.03433	3.2
69.07060	1.9
71.04996	2.8
79.05482	1.6
80.71320	0.9
80.78682	0.8
81.07045	18.9
81.07479	1.5
82.00511	0.9
83.05003	1.5
84.08150	1.7
85.02896	100.0
85.06520	1.1
91.05486	2.3
93.07070	3.9
95.04971	1.4
95.08585	5.5
96.08299	0.9
97.06544	1.2
99.04457	1.1
101.95026	1.1
102.26947	0.9
103.42014	1.1
105.07032	4.6
107.08571	4.9
109.06570	1.1
109.10148	9.6
110.98457	0.9
119.01940	1.8
119.08630	3.1
121.10129	7.4
123.08081	2.4
123.11699	73.5
125.05982	5.6
131.08484	1.1
133.10187	1.4
142.03548	2.3
143.54846	1.0
147.08095	1.7
147.11752	2.6
149.09593	5.4
151.07547	2.3
161.13326	2.5
165.05194	3.3
165.12827	2.1
184.00400	2.0
189.12842	4.4
189.37267	1.0
207.13797	16.9
207.15564	1.3
208.06201	1.1
225.07352	1.4
225.14804	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00345	3.0
55.05510	3.8
67.05502	9.7
69.03435	5.6
69.07106	3.6
71.04987	32.6
79.05492	10.7
81.07066	11.3
83.04966	16.5
84.08156	5.2
89.06250	3.2
91.05456	20.0
93.07028	20.4
95.04989	14.1
95.08615	11.9
97.06544	3.8
99.04467	20.6
100.43404	3.5
105.07028	26.1
107.08592	100.0
109.06561	14.0
109.10173	23.5
119.02000	5.1
119.08572	35.9
119.09346	4.3
119.67488	3.1
121.06530	5.8
121.10125	25.7
131.07745	4.1
131.08528	19.6
133.10182	12.6
135.11710	7.1
137.09590	25.7
142.03560	4.3
145.10178	5.9
147.08069	4.4
147.11691	33.7
149.09616	22.6
149.13335	6.1
155.10739	3.8
159.11693	7.7
161.13240	22.1
165.12727	5.5
167.10719	17.4
171.11729	11.0
177.12856	10.3
189.12793	22.5
195.13808	4.0
207.13741	21.3
225.14861	69.2
225.16965	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05491	11.6
56.96555	7.2
59.04993	7.0
60.60034	4.5
67.05470	9.8
69.03386	4.9
69.07078	6.1
71.04984	46.3
79.05473	11.2
81.07038	18.9
83.04984	16.7
85.02895	16.4
85.06524	7.4
87.04438	13.6
91.05478	15.0
93.07021	21.3
95.04961	5.9
95.08601	30.4
97.06527	18.1
99.04435	96.6
101.95030	7.8
105.07017	28.6
107.08585	100.0
109.06506	94.0
113.09707	5.3
119.08589	18.2
119.96076	6.8
121.10140	56.6
123.08057	77.7
123.11695	27.4
125.09664	12.3
131.08588	8.3
138.36838	5.2
139.11174	8.3
141.05473	5.2
141.09119	16.3
145.10095	9.8
147.11678	34.0
147.76324	5.5
149.09610	93.5
151.07523	7.8
162.38422	6.2
165.05150	7.5
165.12752	22.8
167.10643	27.8
179.14275	7.2
183.13806	24.7
184.00243	6.7
189.12645	26.6
194.35362	5.2
207.13843	23.1
225.14832	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	225.2212
Annotation	2,3-Dihydrofarnesol
Peak:m/z	Relative Intensity
51.85816	15.4
55.05500	41.0
56.21132	17.9
57.03424	43.5
57.07057	60.1
57.99117	16.2
67.05484	70.3
69.07046	41.2
70.68285	15.9
71.04979	100.0
81.07050	86.3
83.08599	22.7
85.06538	30.2
95.08596	58.6
97.10176	37.7
101.95001	28.1
109.10149	55.3
114.34635	21.7
123.11773	27.0
148.38345	21.8
160.98737	26.2
165.65495	20.8
184.00323	67.1
185.02087	27.7
207.21094	29.5
225.02907	31.1
230.46024	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	226.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17577	1.2
65.03919	2.6
72.94463	1.4
77.03938	2.4
79.05482	37.6
80.06697	1.6
91.71054	2.6
92.04990	2.5
93.06980	2.1
95.04969	12.1
99.74503	1.8
102.96850	3.1
105.04491	2.5
106.05286	2.4
107.04949	55.0
111.77950	1.8
118.06502	2.3
120.05582	72.2
120.97907	2.8
121.06474	2.3
125.05991	2.0
142.27438	1.8
143.99449	2.8
145.05490	1.9
148.07584	5.4
154.06493	3.1
155.07256	1.9
162.00542	5.6
180.08182	2.2
183.06798	8.3
185.02145	2.8
226.09724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1226
Annotation	2-[2-(4-Pyridinyl)-1-butenyl]phenol
Peak:m/z	Relative Intensity
55.05508	4.9
56.96558	14.7
58.73522	4.6
59.33684	5.5
59.57953	5.0
60.95844	15.2
64.31412	5.3
69.24407	7.0
81.07044	7.4
84.18827	6.3
85.14552	5.3
90.04681	6.8
91.05479	16.8
93.07030	15.8
95.04979	7.1
101.95033	8.0
102.96870	37.0
103.05484	6.6
104.04978	15.7
105.07037	12.6
106.06574	8.0
107.04968	30.1
114.81679	7.5
115.05439	7.5
117.05779	28.2
118.06564	7.4
119.07323	55.6
120.08115	13.4
120.97919	30.0
121.06504	66.3
121.08353	6.0
131.08554	6.5
132.08096	86.1
138.98955	25.2
139.01746	5.6
143.99463	53.2
146.76305	6.2
162.00575	52.5
177.15732	6.2
184.00262	8.8
185.02119	78.2
188.50177	7.7
200.22499	6.4
203.03183	7.5
211.10004	7.4
226.04912	13.5
226.12262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71857	0.2
60.95844	0.4
65.03912	1.8
65.43730	0.3
72.22256	0.3
74.11575	0.3
89.03810	0.3
91.05469	100.0
102.96868	0.8
106.06531	0.5
108.08116	0.4
109.25832	0.3
120.97917	0.7
131.27919	0.3
132.08092	0.9
134.06032	0.4
143.99472	0.6
148.07553	3.7
162.00606	0.6
166.07751	0.8
181.10110	3.7
185.02103	0.6
226.12263	7.3
226.14418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78708	8.4
62.43929	8.3
95.04943	9.4
96.00614	28.2
105.07015	19.9
107.08573	16.5
110.06023	13.4
111.47740	8.1
119.69653	9.1
133.64803	9.9
143.93811	10.3
182.05841	16.1
186.03456	16.2
200.68854	9.0
202.85573	10.2
209.83633	11.8
210.05325	26.7
212.48648	9.6
227.07904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77238	16.0
59.96247	14.9
70.46931	18.2
84.08125	100.0
96.83850	17.9
102.05553	23.6
119.01947	35.1
121.01696	24.9
135.84941	19.1
144.03235	32.6
158.08151	82.5
165.05093	22.3
167.04855	37.7
170.08159	21.9
186.04358	28.8
186.07416	23.5
220.64993	19.0
227.13933	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1026
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
53.03933	1.7
56.05017	0.9
56.96566	0.6
69.83610	0.6
70.06586	5.8
72.03550	0.6
79.87103	0.6
81.03410	100.0
84.04494	21.8
84.08122	1.1
85.97212	0.7
95.18159	0.6
98.06055	3.9
115.88419	0.7
116.07085	4.9
130.05029	2.5
131.64046	0.7
147.76543	0.6
181.09767	1.7
209.09294	0.9
210.04012	0.8
210.07672	3.1
227.10229	4.2
227.13834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79926	5.2
53.03953	6.9
65.12362	5.5
77.77680	7.3
84.04514	6.2
89.06054	19.9
91.05497	19.6
93.07030	41.5
95.04987	31.6
100.11283	15.6
103.05477	12.4
107.05004	10.6
120.05599	15.6
121.06509	100.0
125.95285	7.2
130.08653	9.8
153.95757	7.0
165.09142	16.3
178.54399	6.8
180.05180	7.1
186.07733	7.5
193.27368	6.7
203.67757	6.7
206.68007	7.0
227.10124	28.3
227.17856	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	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.54721	1.6
54.86012	1.8
55.01617	2.8
55.01866	37.8
55.05499	4.5
57.07061	5.3
60.48330	1.8
61.30775	1.6
67.05161	2.6
67.05493	20.1
69.03416	8.0
69.07062	22.4
71.04966	5.9
79.05473	12.1
80.54558	1.9
81.07043	13.8
83.04964	2.4
85.06548	23.1
86.09709	2.2
88.77131	1.7
91.05472	7.7
91.71018	4.4
93.07033	24.7
95.04982	5.5
95.08596	30.2
96.15164	2.0
97.06520	20.5
97.71100	1.9
99.04452	7.0
105.07017	16.4
107.04928	2.5
107.08586	60.6
107.44676	2.1
109.06493	14.7
113.05960	4.9
119.08630	5.2
121.06509	10.3
121.10120	17.9
122.25462	1.9
123.08043	14.5
125.06031	2.3
131.08505	2.6
135.11674	10.5
145.10114	10.3
149.09651	4.9
151.07567	16.3
163.11176	34.6
167.10646	7.7
169.08585	100.0
181.12260	14.4
186.03481	3.9
191.10670	10.6
209.11746	7.7
225.02248	2.3
227.10776	3.4
227.12689	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05498	61.7
56.96553	28.6
57.07071	30.2
58.01851	11.0
60.95850	16.0
67.05499	73.2
69.07051	40.0
71.04980	24.4
77.88174	12.9
79.05457	19.4
81.07049	97.3
83.04979	13.3
83.08603	18.5
85.06528	39.4
85.10150	48.6
91.05456	22.6
93.07047	52.7
95.08606	100.0
99.08092	15.3
100.11261	30.6
107.08582	35.6
109.10139	56.2
113.09629	40.9
121.10102	25.5
123.11691	20.6
126.05480	20.3
135.11700	35.5
149.13284	19.7
192.85045	13.8
203.03604	13.0
227.19902	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59843	0.8
55.05505	3.1
56.96552	1.9
57.03403	1.3
57.07072	2.5
58.36853	0.9
63.57877	0.9
67.05495	15.2
69.07063	7.3
71.04982	13.4
71.08624	1.6
79.05492	1.2
81.07039	7.1
83.04964	5.1
83.08595	1.2
85.06538	5.8
91.05461	2.3
93.07036	13.3
95.04916	1.2
95.08597	3.0
97.06539	2.2
99.08062	1.0
99.91764	1.2
100.11255	5.0
105.07032	4.2
107.08579	14.1
109.10154	100.0
109.81844	1.2
121.10131	12.6
127.11187	18.2
131.08594	2.2
133.10135	19.2
135.08032	2.8
139.11253	1.1
140.00134	1.5
147.11635	2.7
149.13260	17.4
151.11191	3.4
158.01337	1.1
173.13280	5.4
185.07079	5.1
186.03487	1.9
191.14328	11.3
209.15207	5.2
227.08293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.15598	0.7
52.08295	0.8
55.05505	14.0
58.14282	0.8
82.06576	0.8
83.08616	8.3
91.71056	1.1
94.01869	0.9
100.11248	100.0
209.16475	14.7
227.17529	28.4
228.82312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1019
Annotation	TMC-205
Peak:m/z	Relative Intensity
56.96547	4.7
70.40936	2.6
78.63329	2.4
81.07043	4.7
100.11223	2.9
106.06522	6.9
107.04908	3.8
118.06413	3.1
134.06049	2.8
165.06975	46.2
167.07286	6.0
182.09639	57.5
183.08072	3.7
193.06453	5.7
200.10750	13.8
210.09135	80.0
211.07439	5.2
228.10158	100.0
228.23212	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	228.1383
Annotation	lycorenan
Peak:m/z	Relative Intensity
50.88515	1.4
52.19420	1.4
55.56075	1.7
60.52622	1.4
64.98814	1.5
77.34984	1.5
78.25520	1.5
87.49648	1.7
91.05499	8.8
91.31309	1.6
91.73456	1.5
92.38961	1.6
93.07039	14.1
95.04935	5.7
103.05461	8.8
106.06537	8.0
107.04951	82.9
107.07340	9.1
108.08096	7.7
110.98415	1.8
118.06528	4.1
119.07328	41.5
120.08092	11.7
121.06499	100.0
121.08880	13.5
122.09644	4.4
124.92242	1.6
126.96656	1.8
134.09650	83.4
150.40892	1.7
170.89197	1.7
177.18044	1.8
223.59892	1.8
228.13817	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.6
56.05047	0.9
56.96568	0.7
58.06593	1.1
67.22945	0.7
69.03381	0.7
69.98190	0.6
70.06581	17.7
70.22485	0.7
72.08146	100.0
73.99741	0.6
77.00102	0.6
79.30006	0.6
81.04481	0.7
84.04482	1.6
84.08137	4.2
85.95971	0.9
86.06064	2.0
90.05563	0.9
95.06073	2.3
96.04475	1.8
97.65926	0.7
98.09685	2.1
98.25237	0.7
110.09669	20.2
112.03954	2.8
114.05521	4.9
119.01898	0.8
122.07115	1.4
124.07583	2.8
127.12315	4.2
139.08653	2.7
140.07065	7.8
141.10280	1.3
142.08624	30.9
154.08664	0.7
157.09718	1.7
159.08466	1.4
159.11244	8.2
176.90363	0.7
182.09274	1.8
185.12881	0.8
195.38580	0.7
208.09483	0.8
210.16016	4.3
211.14392	9.0
228.17046	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	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43486	2.1
55.05504	30.7
56.96564	2.8
57.03431	2.2
57.07079	6.2
58.20929	1.7
63.28397	2.0
63.86353	1.7
67.05495	68.0
67.05829	4.1
69.07056	21.3
71.05000	6.4
79.05502	6.6
81.07045	56.6
83.08606	32.1
85.06573	5.6
91.05507	7.8
91.09112	1.9
93.07046	12.5
95.08598	100.0
97.06561	3.5
97.10165	21.6
99.08110	2.9
105.07027	3.6
107.08601	5.7
109.10142	53.1
111.08125	4.4
111.11736	3.6
112.57611	2.2
115.07608	2.3
119.08550	11.3
121.10161	4.7
123.08094	4.7
123.11720	4.8
129.09149	3.0
133.10132	14.3
135.11716	3.0
137.09639	6.2
147.11737	6.5
151.14871	7.6
175.14810	33.5
193.15852	15.6
211.17021	5.9
228.19707	9.9
228.23227	3.7
229.18091	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	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
56.96529	0.7
57.06732	1.8
57.07051	6.6
58.06582	1.9
60.08157	30.0
65.44220	0.4
71.08624	3.2
72.10314	0.7
75.97670	0.5
81.65763	0.4
83.96351	0.5
85.10151	1.2
91.59859	0.5
91.71671	0.5
97.86996	0.5
114.04459	0.7
136.55574	0.6
137.05937	0.6
157.50574	0.5
182.25960	0.6
228.26846	100.0
229.27277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
56.96565	2.8
57.03417	1.6
60.81174	1.4
67.05496	13.6
69.07061	10.8
69.53695	1.6
71.04977	5.7
78.72177	1.5
79.05434	1.7
81.07063	4.3
83.03693	1.4
93.07011	1.9
95.04964	5.2
95.08606	4.8
103.30667	1.7
103.91225	2.0
107.08598	2.4
109.10152	100.0
119.08604	4.8
123.11716	9.2
125.30952	1.8
127.11186	29.8
133.10097	3.8
137.09624	8.7
151.11121	2.4
155.10617	2.1
159.45317	1.5
161.09645	5.4
168.38844	1.7
173.11737	7.5
174.99498	1.7
179.10649	11.2
197.11745	6.9
204.06133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Leucylproline
Peak:m/z	Relative Intensity
55.05505	9.9
56.05033	5.2
57.24546	2.8
67.36461	2.3
83.08606	25.1
84.04492	95.8
85.02925	4.1
100.11244	100.0
130.04977	45.4
134.01033	3.0
138.93251	3.7
183.14963	11.6
187.64421	4.0
212.12802	42.3
229.15456	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
54.01536	0.6
58.06353	0.8
58.06595	8.4
59.07355	2.0
60.08161	10.5
68.05002	1.7
70.06583	49.0
70.37920	0.8
72.08155	1.8
73.45711	1.0
79.64477	0.6
84.04465	1.4
84.08112	1.9
85.89797	0.7
96.08123	1.9
112.37121	0.8
114.05503	4.4
114.09169	2.3
116.07080	1.3
124.07565	3.8
126.09176	0.8
142.08629	36.7
144.68771	0.8
150.48920	0.7
170.08205	1.3
179.51216	0.8
229.15453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85876	2.3
57.03428	13.9
67.05486	6.4
79.05480	5.1
91.05468	6.6
93.96970	2.9
95.08586	3.4
105.07016	6.2
117.07011	13.9
119.08610	4.8
128.06181	3.4
129.07014	29.3
131.08566	13.7
133.10170	3.1
141.06984	10.0
142.07785	10.0
143.08545	3.5
145.10132	27.8
155.08601	4.5
157.10126	100.0
157.11444	5.0
159.08118	3.9
159.11702	5.8
160.60727	3.1
169.10123	15.1
171.11694	5.1
173.13292	10.3
183.11703	8.6
185.13271	23.5
201.16296	3.7
211.14708	14.5
229.15866	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26232	2.4
51.61081	2.5
56.05020	7.6
56.96565	4.6
57.06022	2.6
61.43631	2.6
61.91130	2.9
66.25262	2.7
67.58825	2.6
69.05244	3.2
69.78350	3.1
72.40646	2.7
76.75160	3.4
83.45541	2.8
84.04498	43.5
84.08105	3.6
88.22878	3.1
97.73331	3.2
116.05606	6.3
119.01900	20.9
124.02422	5.0
128.00183	3.6
134.06689	3.8
134.98552	3.1
137.02992	4.7
139.07162	6.2
142.03487	38.2
143.03609	4.2
145.02850	4.5
146.01201	3.7
160.04553	29.2
165.05054	28.6
166.03542	16.6
166.05174	4.8
183.06161	12.8
184.04544	100.0
185.04562	3.6
185.09528	4.8
202.05576	29.1
203.98561	3.5
206.07753	11.1
207.06136	93.3
208.06366	8.2
211.05569	5.6
211.07414	4.0
212.03780	5.1
225.07188	61.2
230.04903	28.8
230.06631	5.6
248.06229	8.4
248.08629	5.3
253.06557	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0925
Annotation	CAERULOMYCINAMIDE
Peak:m/z	Relative Intensity
52.47264	0.7
53.03912	0.9
56.05029	1.0
56.96541	0.9
57.21383	0.7
60.08117	1.3
61.82746	0.8
65.10111	0.8
67.25005	0.8
68.05027	0.9
69.04520	2.5
70.06590	6.6
72.04520	0.9
72.08142	2.5
74.06054	0.8
76.58821	0.7
79.05453	1.1
80.05000	0.9
81.03391	2.8
84.04485	2.4
84.08136	6.1
86.06040	1.3
86.09676	2.4
91.05476	12.0
91.71291	2.0
94.04037	1.6
94.06535	1.4
95.04932	0.9
98.06011	1.2
106.06523	2.3
110.06035	1.2
112.07569	1.5
113.96397	2.5
114.05600	1.0
119.04916	4.2
129.10181	2.5
131.97447	1.1
134.05992	1.9
135.04399	1.0
137.05977	15.8
152.07088	1.2
154.99057	5.3
160.07576	1.1
162.05476	4.4
171.07855	1.3
183.61269	1.0
185.07028	1.2
189.14049	1.1
203.08096	1.4
213.06546	2.2
215.06960	1.4
230.09224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0957
Annotation	Ergothioneine
Peak:m/z	Relative Intensity
51.50190	0.8
53.45350	0.9
53.59917	1.1
55.78473	1.0
58.99582	1.2
60.08155	31.0
62.57180	1.0
62.71130	1.0
65.03383	1.0
66.18219	1.0
67.04252	3.3
68.05023	13.6
69.05803	14.9
69.70086	1.0
70.06598	3.3
72.01883	1.1
81.03407	1.4
83.06124	1.4
84.04477	5.8
86.00660	3.5
86.06068	1.6
94.05251	1.3
100.02209	9.2
100.66294	1.3
111.05666	1.0
113.31776	1.1
127.03258	100.0
130.05072	1.8
143.02766	2.6
171.02232	2.3
176.85390	1.3
177.85257	1.5
186.10582	28.7
187.25980	1.2
193.03247	1.4
229.15515	2.2
230.09641	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	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.5
56.05019	12.6
57.03426	8.6
60.08156	14.4
62.05077	4.5
66.17847	4.8
67.05505	10.6
67.49752	4.8
68.05026	15.9
69.03422	20.8
69.05809	8.5
70.06575	35.6
70.98927	4.9
71.04984	10.8
72.08149	17.1
76.03996	11.4
80.05009	14.2
81.03405	44.6
82.06572	11.8
82.62917	5.4
83.04981	9.1
84.04491	99.3
84.08138	52.7
85.02908	10.8
86.06068	39.7
87.04476	8.4
95.04984	8.9
96.04502	13.0
97.02888	22.0
98.06049	60.0
98.97582	9.3
99.04459	6.8
99.05532	6.0
109.02869	7.5
110.06024	22.4
112.07620	7.2
114.05536	15.1
124.07611	16.9
126.05553	8.3
127.03252	34.8
128.07019	7.2
129.10211	8.1
130.04985	28.8
138.05482	6.7
139.06110	5.3
140.07024	7.2
141.00034	6.2
142.08621	6.6
148.07553	7.6
151.02174	10.4
152.07106	11.5
166.08687	10.1
168.02402	17.8
169.03168	23.7
170.08252	8.5
171.02472	6.9
176.07091	6.6
182.08101	10.6
184.09705	23.0
186.10649	10.6
193.03183	11.7
194.08136	28.9
202.10661	6.4
211.07135	7.0
212.09203	46.2
230.08072	17.3
230.10115	100.0
230.13782	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	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71024	3.1
55.05493	6.1
55.10393	4.2
55.84777	4.0
56.96552	11.5
63.33149	3.6
67.05492	7.1
70.06589	5.9
82.06573	4.5
84.08133	53.3
84.91553	4.0
98.17389	3.8
99.73376	4.2
107.04937	6.9
111.56361	3.7
112.07566	7.6
122.06010	10.8
124.07546	9.0
126.09106	8.2
127.03268	7.7
142.07637	5.8
142.08612	31.8
152.07056	14.2
154.08615	8.0
170.08115	47.0
172.09703	6.7
177.10631	4.0
184.09612	6.3
212.09207	5.9
230.08116	5.6
230.10179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.6
56.96550	9.5
57.07060	7.3
59.44930	3.2
60.08150	4.3
67.05494	18.3
69.03396	5.7
69.07063	32.0
70.11294	3.2
72.08147	3.9
79.05463	4.8
81.03425	8.1
81.07061	21.1
83.08612	24.9
85.25908	3.9
86.06053	6.6
91.05473	8.5
93.07056	22.1
95.08591	11.8
96.08113	4.5
97.06474	4.2
97.10158	4.6
98.06091	5.4
107.08604	16.8
109.10131	5.3
111.08100	6.5
114.09146	3.9
121.10143	6.6
127.03227	6.6
133.24826	4.2
143.18895	3.9
147.04439	7.7
149.13283	18.2
166.08627	4.3
166.15948	22.4
167.14301	6.9
173.36711	5.2
184.16949	7.7
186.10564	5.7
199.15594	5.6
205.23602	5.0
212.16438	100.0
230.08202	8.2
230.10027	20.1
231.06377	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	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.07065	16.4
58.06560	2.6
58.61211	1.8
62.06077	11.3
66.44869	1.7
71.08619	8.6
96.17223	1.6
144.56496	2.0
180.17802	1.9
212.23714	6.8
223.43376	1.9
230.24756	100.0
231.61130	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	231.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72390	4.1
55.01858	6.3
56.40701	4.2
56.96555	21.8
58.16413	4.6
61.42815	4.0
62.06742	3.7
69.03427	13.7
69.07056	6.8
70.06563	13.9
72.08149	68.6
77.17150	5.3
79.88864	5.1
81.07092	5.9
81.57226	4.9
84.08160	7.3
85.02856	8.1
86.09695	100.0
90.05545	94.0
91.71107	5.6
95.04954	5.4
97.02886	9.7
98.97568	12.9
107.04955	7.7
116.98627	7.3
120.08080	8.7
124.59452	5.3
140.00224	7.8
181.02780	6.1
191.05069	6.3
231.07776	9.1
231.11292	7.7
242.03290	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	231.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39831	1.0
69.07055	1.1
72.08149	1.1
81.27100	1.1
86.09724	1.1
92.86327	1.3
104.04955	1.6
107.04990	1.0
132.04434	6.0
134.69576	1.1
143.06049	2.4
171.05510	100.0
185.07056	8.8
186.70673	1.4
213.06566	60.7
217.91277	1.4
231.07649	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	231.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57148	1.1
53.03937	1.4
55.05498	1.8
56.77508	1.3
56.96555	4.2
60.04516	1.5
60.80365	1.3
65.03959	1.5
69.07069	7.6
70.06573	3.8
72.08146	2.3
75.95021	1.5
76.69067	1.6
80.55644	1.4
81.07029	2.7
84.08128	4.5
86.09699	100.0
89.62968	1.6
114.09161	1.6
118.93202	1.6
128.10710	71.9
129.28288	1.5
156.10178	10.8
157.06422	1.8
165.73352	1.7
170.04536	1.5
208.28423	1.6
231.11365	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.72558	0.6
53.62209	0.5
53.95896	0.5
55.05504	9.6
57.05807	1.5
58.50312	0.5
69.03410	0.7
72.08147	100.0
83.59724	0.6
86.09702	4.0
95.04985	0.9
99.04463	0.8
113.28096	0.6
117.35495	0.6
121.06458	0.6
123.04326	0.7
132.10184	2.9
137.05975	0.8
154.66798	0.6
200.28372	0.7
231.11700	0.7
231.17073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	15.7
69.07048	19.6
75.16801	6.8
75.40390	5.4
79.05456	15.7
81.07043	57.9
83.08598	9.3
85.57921	7.4
91.05468	17.6
91.58447	7.0
93.07000	16.5
95.08601	39.7
105.07022	30.5
107.08582	31.2
109.10135	24.0
111.42904	8.4
113.09805	7.1
119.08578	23.7
121.10148	27.8
123.11710	9.2
133.10168	10.4
135.11722	22.0
147.11705	16.0
149.13313	14.3
161.13260	12.5
163.14844	22.0
175.14871	29.0
198.03690	7.8
231.21062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03102	3.4
55.31972	3.4
56.05021	12.2
56.96557	23.4
65.66219	3.7
69.03403	12.1
70.02953	4.3
70.06563	5.1
72.08135	17.9
78.77083	4.0
81.03416	40.9
84.04502	8.1
84.08139	5.8
85.02890	4.2
86.09679	8.1
91.05463	6.3
98.97556	6.5
100.07623	6.3
100.08257	3.5
101.30881	4.4
109.02875	6.9
114.05510	12.7
115.05451	7.0
118.06522	59.4
137.05992	7.9
139.53607	3.7
141.07022	32.1
146.06004	99.7
146.07063	7.1
147.04333	5.2
161.05949	7.4
162.05551	4.3
164.07059	100.0
169.06477	46.2
169.12747	5.2
170.01648	4.1
173.07231	4.9
177.05540	6.2
187.07593	14.7
188.07056	13.5
196.09642	23.3
197.05951	58.7
214.00337	5.6
214.10649	7.8
215.06996	54.8
232.09607	36.2
232.11810	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	232.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
56.96562	20.5
57.03416	4.3
57.07055	5.5
59.31041	1.3
65.41963	1.2
66.96387	1.3
67.05475	2.1
68.29843	1.4
69.07038	1.5
70.06587	20.8
71.08591	4.8
79.05477	1.6
81.07022	2.9
88.07619	24.1
91.05461	4.3
93.06992	3.9
97.06540	1.8
97.99181	2.4
102.09159	7.6
105.06987	3.4
106.08658	10.0
107.04369	1.9
107.04960	23.9
119.08593	3.8
120.08112	4.0
121.06513	3.5
145.10133	1.7
199.69920	1.6
214.12398	1.6
214.21603	7.0
232.22694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.5
78.95632	43.7
94.93005	100.0
123.92197	4.4
190.83931	4.2
190.91251	26.6
232.92288	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	11.8
56.96563	73.7
68.05045	9.4
70.06573	16.4
71.05008	12.5
72.72374	8.2
74.06066	10.3
76.33095	7.7
79.05518	9.3
82.61520	8.0
84.23634	8.5
86.09683	10.4
91.05475	9.5
92.89809	9.3
94.79848	9.8
107.04945	100.0
118.06523	12.1
136.07640	10.2
137.06035	10.1
147.06375	13.5
155.97479	12.8
160.07600	29.1
164.07094	19.3
165.07460	15.0
173.98528	14.7
197.00066	14.2
198.06372	10.4
204.06606	32.2
214.98750	13.6
216.06805	15.2
225.44685	10.3
233.09317	31.1
241.26796	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	233.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17768	0.2
60.07840	0.2
77.03879	0.4
79.05462	1.0
81.07043	1.2
91.05489	0.3
95.04961	2.2
107.04945	100.0
108.05230	0.4
109.06505	1.5
118.06507	0.4
121.06542	0.3
127.07559	1.7
141.78667	0.3
145.06483	0.3
170.24763	0.3
197.09674	0.6
233.11716	0.4
244.86189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56310	0.1
51.57150	0.1
53.03930	0.2
55.01874	0.2
56.96556	0.2
57.07079	0.1
58.06576	0.1
59.82630	0.1
67.05485	0.1
73.66005	0.1
77.03921	0.3
79.05493	0.7
81.03411	0.2
81.07054	1.0
95.04974	2.1
97.78340	0.1
98.63474	0.1
105.04511	0.3
107.04948	100.0
108.05304	0.4
109.06509	2.1
112.03923	0.1
113.10772	0.1
118.06551	0.3
121.06494	0.4
127.07558	2.5
145.06551	0.3
150.37350	0.1
157.06548	0.2
187.11189	0.5
197.09676	0.5
200.50951	0.1
233.09656	0.2
233.11790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07032	3.2
59.83160	2.8
60.41555	2.5
69.10877	3.1
79.05461	3.5
91.05476	60.1
92.39986	3.0
105.07018	11.0
107.04952	100.0
117.07011	5.1
121.35540	3.5
126.80543	3.1
131.08539	3.4
174.11092	3.3
178.07828	12.3
179.08559	4.6
191.08549	12.2
203.08601	4.0
204.09370	7.6
205.10152	12.7
218.10971	15.3
233.13271	32.9
233.15234	5.1
233.18919	5.7
241.45200	3.4
243.21962	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	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05488	4.4
56.05037	21.1
56.96558	17.8
58.06575	6.8
63.96079	2.5
70.06585	9.1
72.08151	26.4
73.45004	2.7
74.06074	100.0
84.04489	10.1
84.08125	8.2
86.09705	23.8
88.04042	3.0
97.99179	4.6
104.10720	3.0
107.04948	47.6
110.16054	3.0
129.10310	3.9
132.10223	15.9
134.08110	9.4
172.86227	3.3
187.08698	4.2
187.14478	5.5
214.98885	3.7
215.08328	3.3
233.09302	9.5
233.12831	4.3
233.14996	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
56.96563	6.6
57.07061	64.2
57.07321	6.8
60.15632	6.0
67.05502	9.6
67.18731	5.0
79.05511	19.0
79.54639	5.6
81.07047	100.0
85.06531	45.1
91.71645	8.6
93.07043	10.0
95.04958	16.4
101.36077	6.9
105.07056	28.2
107.04943	86.7
109.06539	24.2
115.50207	6.4
116.42116	6.6
131.08531	32.6
137.09648	16.5
145.10214	7.7
149.09680	25.3
171.04044	6.5
173.13225	7.6
233.15337	41.1
239.97427	6.8
248.97298	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.33775	3.5
56.96557	17.8
57.07067	4.4
67.05482	3.9
69.03426	5.6
79.05479	18.8
79.92729	3.7
81.07058	6.0
83.04952	4.5
90.27528	3.5
91.05462	5.4
93.07081	4.5
95.04974	7.5
107.04951	100.0
119.08621	7.9
131.08588	9.3
133.10114	7.3
145.10193	6.2
147.08022	6.5
175.11102	7.0
191.14330	19.9
194.60818	4.5
230.49413	4.6
232.09293	5.2
233.15373	32.6
250.27069	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.68964	0.9
56.96561	2.0
57.03434	1.8
57.07067	1.1
59.04982	0.9
61.25477	0.9
67.05495	2.7
69.03403	1.2
70.06590	2.6
71.57433	1.0
79.05486	4.2
81.07065	2.5
81.54385	1.0
82.61726	1.0
83.93633	1.0
85.89957	0.9
88.07629	3.3
91.05480	2.6
93.07034	2.1
95.04945	3.3
95.08646	1.2
105.07039	2.9
106.08640	1.6
107.04949	100.0
107.08583	1.3
109.06524	3.3
110.20570	0.9
119.08587	7.5
121.10166	2.2
127.07506	1.9
131.08578	3.3
133.10078	1.3
137.09579	1.5
144.21614	1.0
145.10161	3.5
147.08028	1.7
149.09648	1.3
161.13167	1.4
161.95972	1.4
173.13272	1.1
175.11275	1.3
215.14418	1.9
219.37282	1.2
232.22644	8.7
233.15311	5.8
233.23079	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
55.47054	3.3
56.96546	9.3
72.64014	3.7
73.02913	4.1
77.22513	4.3
79.05484	21.0
83.08616	6.8
95.04964	7.0
107.04944	100.0
109.06541	5.4
125.04398	4.3
125.05492	3.9
135.83440	4.6
136.75349	4.7
148.39314	5.1
191.14354	12.4
233.15331	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
56.96559	7.3
63.40724	3.2
69.03411	3.0
75.77650	3.8
79.05486	7.4
81.03429	3.5
91.71013	4.5
95.04966	5.3
101.91470	3.2
105.07018	3.2
107.04955	100.0
126.66598	3.5
126.83969	3.7
131.08557	5.5
154.58971	3.4
191.14343	6.1
211.48309	3.5
217.15738	3.3
233.08098	5.0
233.15329	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	233.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.3
57.07053	10.5
64.98557	3.1
67.05496	35.3
68.57944	3.9
69.07043	12.6
71.04999	5.7
77.62379	4.0
79.05484	46.7
81.07047	41.9
85.06550	7.3
88.93977	4.6
91.05463	27.0
93.07035	52.9
95.04971	9.2
95.08610	18.2
97.06522	11.0
105.07031	20.3
107.04946	100.0
107.08584	39.0
109.10155	15.0
111.08082	8.9
119.08584	17.6
121.10133	30.9
123.11719	7.7
131.08543	22.3
133.10133	20.7
135.11688	43.2
145.10107	18.8
147.11644	11.0
149.13231	29.7
159.11694	16.2
161.13205	4.9
173.13275	12.5
175.34245	4.3
187.14883	6.7
215.17874	55.7
215.19734	6.4
233.18983	77.4
250.16220	5.0
253.26740	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	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
55.05494	13.4
57.07070	10.6
67.05489	28.0
69.07057	7.9
71.05013	7.6
71.85429	6.5
79.05486	48.8
81.07050	42.2
83.08580	12.3
85.10180	6.1
91.05481	29.0
93.07040	50.4
95.04972	9.8
95.08607	32.3
96.50021	6.0
102.43390	6.2
105.07025	19.3
107.04951	47.4
107.08581	41.3
109.10161	15.1
111.08076	9.4
117.07021	7.6
119.08607	22.9
121.10159	34.3
128.98608	6.8
131.08571	43.7
133.10164	35.8
135.11690	58.3
145.10138	31.7
147.11682	20.4
149.13274	27.0
159.11703	26.6
162.81941	6.2
173.13252	20.0
187.14706	8.8
208.41760	6.6
215.17966	74.9
233.18997	100.0
235.56532	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol B
Peak:m/z	Relative Intensity
51.50965	2.7
56.43516	3.1
56.60451	2.6
67.05489	6.5
69.07059	5.1
71.08614	4.4
79.05495	5.1
91.05479	17.5
93.07036	4.8
95.04933	4.3
105.07062	4.0
107.04950	100.0
109.06525	6.1
119.04937	4.5
121.06495	10.1
155.70993	3.3
164.11949	7.6
177.12762	19.3
197.22263	3.6
205.10052	5.0
233.13315	6.5
233.19002	87.7
234.64885	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	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88184	2.1
51.32856	2.3
55.05513	8.3
56.37139	2.2
57.07083	4.7
60.50152	2.7
63.82095	2.6
67.05500	20.1
69.07059	6.7
79.05476	25.2
81.07051	26.2
85.06542	5.1
91.05506	12.5
93.07024	29.9
95.04981	5.4
95.08638	12.8
97.06548	5.7
105.07060	13.5
107.04946	100.0
107.08597	17.2
109.06573	4.8
117.07047	3.4
119.08605	9.2
121.10140	21.2
127.70673	3.2
131.08644	11.7
133.10170	9.0
135.11691	30.3
139.84134	3.6
140.01025	3.8
145.10152	9.3
147.11656	7.2
149.13321	13.1
153.58319	2.9
159.11787	9.0
161.13297	4.6
173.13295	10.5
215.17880	27.4
233.19014	47.2
249.25848	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	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03932	2.5
55.05496	11.9
57.03445	2.4
57.07061	12.6
62.09720	3.2
67.05494	49.1
69.07050	11.3
71.04973	3.7
75.29407	2.7
79.05483	52.2
81.07050	54.4
83.08621	6.6
85.06532	9.2
91.05472	30.8
93.07034	73.1
95.04930	9.7
95.08595	32.7
97.06509	11.5
99.08101	6.5
105.07018	28.1
107.04949	100.0
107.08585	38.6
109.06494	5.9
109.10165	10.5
111.08056	4.2
117.07009	10.4
117.80722	2.9
119.08581	21.1
121.10138	39.2
121.52193	2.8
123.11691	7.9
131.08542	25.5
133.10115	20.1
135.11685	56.5
137.09572	5.5
145.10103	22.4
147.11674	21.4
149.09561	5.3
149.13237	25.9
151.11194	4.2
159.11716	16.1
164.28600	3.4
166.38489	2.8
173.13257	15.5
187.14777	5.0
189.16422	4.8
215.17911	65.0
233.15373	7.4
233.18964	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	234.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34621	8.3
78.54067	7.1
83.48782	7.9
107.23598	7.4
118.55807	7.1
168.85153	9.2
204.54257	8.9
234.01961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	38.6
56.96550	39.9
58.63706	13.3
68.64403	12.9
69.03423	31.3
73.02908	23.9
74.06068	28.7
80.76696	13.8
81.03401	20.0
84.04485	17.1
85.02894	33.3
87.03211	38.5
90.05546	49.7
97.02887	66.9
97.05233	15.4
98.06060	29.2
102.05541	60.7
104.17915	18.8
107.04939	35.5
108.05296	16.4
111.04443	14.7
112.03976	41.1
122.06030	30.0
124.07564	25.6
129.93974	15.3
133.03441	16.3
143.05783	20.2
146.99628	27.6
152.00183	31.7
161.06918	27.4
170.01277	43.0
170.08070	32.0
173.08121	24.9
174.74916	17.3
185.35214	16.1
187.92708	17.7
188.09219	56.8
193.02847	87.6
201.16049	17.3
216.06929	18.2
216.08606	100.0
217.10735	20.8
234.05540	21.8
234.07640	31.7
234.09653	44.8
234.11546	26.2
235.16521	16.9
251.21249	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	234.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.2
55.05518	4.6
56.04807	4.5
56.05031	47.3
56.20514	4.1
56.96546	20.1
57.03421	13.3
57.50013	3.9
58.06585	9.4
59.03733	6.5
66.61287	5.1
69.03425	28.4
70.06606	5.3
73.02905	12.5
74.06068	25.3
80.04998	5.1
81.03389	8.2
84.04490	8.9
85.02898	18.0
86.06061	17.3
87.03194	24.1
90.05552	48.3
91.05464	7.0
96.04480	6.3
97.02876	62.7
98.06043	13.9
99.04443	8.5
101.26685	4.8
102.05547	47.6
107.04948	9.9
110.06045	7.5
112.03951	31.5
122.06028	14.7
124.07648	7.0
126.05527	6.0
127.03909	15.9
128.07080	8.8
128.98634	15.9
139.01790	5.5
140.07097	7.3
143.05780	33.4
144.06543	5.2
146.99646	13.8
152.00261	11.2
152.07002	8.2
155.07104	9.6
159.35954	5.3
161.06813	10.3
168.06525	13.9
170.01276	17.5
170.08127	34.9
188.09085	32.2
193.02811	29.4
210.63806	5.9
216.08656	100.0
217.10709	10.4
234.02165	7.1
234.07559	6.9
234.09557	55.2
234.11699	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	234.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02666	0.7
55.05500	1.6
56.96545	1.3
59.26364	0.8
66.70760	0.7
67.04128	0.7
70.06580	100.0
72.08126	0.9
83.04969	2.9
84.08152	1.4
85.52483	1.0
86.09704	1.3
91.05469	1.0
101.05995	1.3
107.04937	1.7
111.04443	5.1
129.05458	2.0
137.06058	0.9
144.02345	1.5
155.06996	5.3
162.03455	1.4
164.07027	2.0
173.08041	5.0
217.10728	9.6
219.35027	1.2
234.01930	1.6
234.07607	1.5
234.11198	9.6
234.13145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03377	1.5
54.96407	0.5
55.97878	0.5
56.05027	11.7
56.96570	1.3
57.07070	9.3
58.06355	0.8
58.06590	9.1
60.04498	2.4
63.10542	0.5
68.04996	1.1
69.07047	0.8
71.08620	6.8
74.05663	0.7
74.06071	13.2
86.06044	2.5
88.07619	41.3
93.71015	0.6
104.07080	1.6
107.04942	1.5
111.07796	0.6
118.08641	6.4
122.08126	8.2
186.18513	56.5
216.19551	1.8
217.10654	1.0
234.20621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15404	1.3
54.44728	1.1
55.01868	1.7
55.05488	1.6
56.05024	3.0
56.96555	3.1
57.07063	2.0
60.40158	1.3
61.01149	12.5
61.19284	1.2
69.03419	4.5
70.06575	1.9
81.03394	1.4
83.04957	3.2
84.04496	39.2
85.02924	1.8
87.02686	3.6
87.04415	1.2
89.04248	100.0
91.05482	2.4
94.37537	1.3
95.04984	1.9
96.04499	2.3
97.02892	6.8
98.06044	6.6
99.28735	1.3
105.07010	1.5
106.06891	25.9
111.04443	5.5
121.06562	1.5
124.07580	9.3
130.05031	4.4
139.03923	1.8
172.07863	9.1
174.44930	1.5
189.09108	1.8
189.30858	1.7
218.08443	17.0
235.05998	3.6
235.11317	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.30871	5.2
52.86253	4.6
56.96550	17.4
57.07063	14.7
59.64757	5.4
60.02206	5.1
67.05497	12.7
69.07063	6.0
79.05468	9.2
81.07044	13.6
91.05501	19.6
93.07019	11.8
93.90659	5.3
104.35728	5.9
105.07039	15.8
107.07926	5.8
107.08578	40.6
109.06480	11.0
109.10136	6.2
111.08064	22.0
119.08583	12.7
121.10170	7.7
123.11678	13.4
125.09634	31.9
129.12595	5.5
133.10150	18.0
147.11827	5.8
151.11172	100.0
159.11700	7.9
175.07483	8.3
179.10698	6.3
189.16350	8.2
214.40916	6.1
217.15846	19.8
235.03973	14.4
235.16937	30.5
236.09151	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	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.84985	4.1
55.05496	13.8
56.96547	13.6
57.07071	27.8
57.64342	3.8
63.51874	3.9
67.05497	83.4
69.07072	24.2
79.05476	16.2
81.07043	100.0
83.08611	10.2
85.06496	7.1
91.05455	23.6
93.07039	25.7
95.08591	87.4
97.06509	7.8
99.08038	6.3
105.07031	13.8
105.85914	4.2
107.08594	12.0
109.10154	19.6
110.16203	4.7
119.08570	16.4
121.10149	21.4
123.11697	17.6
133.10118	21.1
135.11662	14.4
137.13242	20.2
147.11684	10.2
151.14795	6.1
161.13239	16.2
168.28659	5.9
175.00565	4.9
175.14839	5.5
179.18839	4.9
185.78201	5.3
217.19508	30.8
235.16872	15.6
235.20572	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28880	4.7
80.77301	4.6
84.25463	4.8
85.28496	4.6
93.00118	6.2
114.12975	4.5
143.03560	7.0
146.03545	7.3
149.01120	100.0
162.04260	17.6
166.05252	7.5
176.05841	16.0
177.06598	12.7
192.08974	9.3
213.04378	6.0
236.01784	6.1
236.07982	84.9
236.14731	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	236.0916
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
51.61919	1.0
56.70475	1.4
62.57653	1.1
62.96096	1.0
69.02160	1.1
69.98667	1.0
76.31459	1.2
93.13965	1.2
106.06557	1.4
134.05954	3.8
135.04333	2.5
144.08028	2.3
147.84702	1.3
149.14807	1.3
162.05495	15.5
163.06139	1.6
169.76857	1.3
172.07553	2.0
189.07945	1.3
190.08566	14.2
205.47797	1.3
218.08107	100.0
224.80588	1.2
231.79196	1.6
236.09160	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0916
Annotation	Thalflavine
Peak:m/z	Relative Intensity
51.48234	1.4
56.70488	1.8
94.86860	1.4
97.26360	1.4
98.67085	1.5
135.04378	2.3
137.05991	3.1
144.08066	1.9
147.04388	3.1
161.05942	7.2
162.05502	16.4
163.06317	2.4
171.17017	1.6
172.07527	2.2
188.43898	1.6
190.08603	17.5
201.07635	1.7
218.08112	100.0
236.09154	96.1
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
50.84315	0.7
53.70770	0.6
56.05013	1.1
57.03163	0.9
57.03426	9.2
58.06319	1.7
58.06593	31.2
59.07108	0.9
59.07378	11.6
60.07907	0.7
60.08155	9.1
60.31780	0.6
70.82448	0.8
73.02885	2.4
75.04472	6.3
85.02921	1.8
86.06053	1.0
87.04463	4.5
91.71085	1.0
98.06036	1.4
103.03915	1.1
105.05521	1.1
106.92381	0.9
131.07053	2.4
142.36043	0.8
144.10161	1.8
149.01135	0.8
155.25365	0.8
159.91248	0.8
162.24120	0.8
200.09181	1.3
236.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.0
58.06593	28.7
58.55079	1.2
59.07132	1.4
59.07375	12.3
60.08154	8.5
71.49814	1.3
73.02911	1.9
74.03515	1.4
75.04465	6.3
85.02890	3.1
87.04456	5.3
91.71673	1.4
93.45831	1.3
103.03946	1.8
133.79146	1.3
144.10228	2.5
155.89682	1.5
156.19112	1.6
159.09126	1.5
236.14900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42073	2.8
56.96569	5.4
62.92173	2.7
69.07080	7.5
70.06587	7.5
74.56322	2.8
75.88128	3.0
84.08168	6.0
86.09718	4.5
88.03971	3.7
129.10225	3.1
132.08321	3.1
133.05130	5.1
150.07748	64.4
150.08842	3.9
161.86974	3.3
162.07751	21.0
179.38661	3.5
213.96878	3.8
218.08156	16.9
218.14001	6.1
236.09357	12.9
236.15060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1644
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.77229	3.3
55.05502	9.1
55.84630	4.2
56.96567	4.2
57.07056	17.3
60.39917	4.2
62.06231	4.0
79.05499	6.3
81.07059	13.2
83.08563	6.5
93.07018	14.5
95.97125	4.4
105.07026	5.3
108.67665	4.2
120.08102	18.4
132.15872	6.0
134.09680	18.3
135.10405	5.2
146.09624	5.6
147.06812	6.4
148.07593	9.2
149.12003	5.5
160.11246	6.0
161.12039	7.4
162.09167	18.8
163.09895	24.8
166.08612	21.9
176.14348	100.0
180.10196	6.1
183.63068	5.2
188.10829	6.0
190.16069	5.9
191.16623	24.4
204.13802	10.6
219.16237	10.9
236.09224	19.2
236.16489	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56995	1.7
56.96561	2.2
57.07058	1.9
58.20943	1.6
62.32381	1.4
81.07025	2.1
84.08173	1.7
91.05481	4.0
100.23866	1.9
103.05455	17.6
105.10295	2.0
113.91463	1.9
117.07022	11.9
117.45507	1.8
123.04455	4.1
125.20036	1.9
130.35635	1.8
131.04919	44.0
131.08583	2.1
131.67380	1.6
136.94662	1.8
137.06015	5.7
139.84888	2.5
145.06508	19.4
149.05974	100.0
159.08090	3.9
163.07533	34.2
177.09190	2.4
195.00613	2.9
201.12697	2.3
219.13808	42.8
220.01979	2.0
236.16443	49.6
236.18613	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	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.51679	1.4
56.11935	1.6
57.03433	2.6
67.05487	2.3
68.35639	1.7
69.03424	4.6
73.02881	1.6
74.02427	3.3
74.40415	2.1
78.58398	1.8
81.03406	4.9
81.07059	1.8
83.04959	2.1
83.58794	1.5
84.04508	1.8
85.02888	4.9
91.05473	4.1
92.78191	1.8
94.06604	2.3
95.04952	4.5
97.02906	3.1
98.77798	1.7
99.04453	3.6
99.36667	1.8
104.03762	2.0
106.33902	1.8
109.02856	2.0
111.04482	5.0
117.05740	2.0
118.06551	9.6
120.04471	2.7
123.04426	3.9
125.24210	1.7
127.03867	3.4
128.04973	5.1
130.06549	12.2
133.05261	2.6
135.08116	2.0
136.07585	5.6
141.93936	2.0
146.06006	100.0
147.06795	3.2
148.03986	5.5
148.07596	7.9
149.06001	2.1
153.05554	2.1
157.07619	7.1
158.01358	2.1
159.09319	2.1
163.07478	2.8
174.05522	5.5
191.08318	2.7
192.06564	25.5
203.08176	7.3
219.06528	3.5
220.05902	2.3
237.07524	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	237.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42245	4.7
53.92783	5.5
55.52543	4.3
56.96552	13.6
57.43698	4.6
58.42898	4.5
70.85266	4.4
75.86446	4.9
80.00257	5.0
84.04456	5.6
91.05456	6.1
129.06976	6.9
142.09969	5.6
150.32808	5.7
164.56956	5.6
192.06583	12.1
197.00114	7.2
201.13461	5.8
237.10954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1234
Annotation	3061-90-3
Peak:m/z	Relative Intensity
53.30732	1.0
55.01861	2.1
56.05019	2.7
56.96546	5.0
57.03426	2.4
58.53804	0.9
60.94098	1.1
64.31940	1.2
65.03927	2.1
67.05484	2.0
69.03416	4.5
71.04960	1.8
77.11415	1.3
79.05448	1.6
81.03403	3.8
83.04961	2.0
84.04494	38.8
84.08109	1.8
85.02883	5.0
86.09710	2.5
91.05469	100.0
91.71676	1.3
95.04955	2.9
97.02876	2.3
99.04462	3.3
104.51528	1.2
108.08112	23.8
109.02854	1.6
110.05997	1.2
111.04460	3.1
117.07016	1.5
118.06570	2.1
120.08119	3.7
123.04455	2.6
125.54729	1.2
127.03927	3.0
130.05019	3.5
130.06577	1.8
132.08049	1.6
133.06496	1.3
133.55438	1.3
135.04446	1.4
135.08066	1.2
137.05997	2.0
139.07549	2.0
145.06531	1.5
146.06006	5.3
147.06760	3.8
148.07516	5.2
163.07542	2.2
173.01186	1.2
177.05392	2.2
191.07056	3.8
191.11853	3.1
192.06552	27.5
218.97993	1.3
219.06560	4.7
220.09683	11.8
234.26387	1.3
237.07570	5.2
237.12543	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	237.1233
Annotation	N(gamma)-Acetyl-5-methoxykynurenamine
Peak:m/z	Relative Intensity
52.05822	1.7
53.32000	1.6
56.36614	1.7
57.02856	1.8
59.55462	1.8
66.52498	2.2
67.49317	2.0
67.67421	1.6
84.04491	3.2
85.50282	1.9
85.82540	2.0
91.05476	19.4
115.05441	4.1
119.04916	7.4
129.06958	6.3
129.64076	2.0
129.80771	1.9
133.06500	4.6
135.68134	2.0
137.05974	100.0
143.04948	2.7
157.06448	5.5
159.08017	3.8
161.05968	70.2
175.07542	21.8
178.08618	2.6
182.05220	2.5
185.05925	3.4
202.08591	7.3
203.07040	9.0
220.09682	88.0
237.12317	80.0
238.10707	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	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01862	10.0
56.96553	6.4
65.08111	2.6
67.05476	5.0
69.07044	9.2
71.04974	3.8
79.05493	16.8
81.03402	3.2
81.07043	12.6
85.02885	3.8
91.05479	24.7
93.07037	52.8
95.04967	7.0
95.08603	5.6
103.05402	2.8
105.07042	18.8
105.07623	2.6
107.04967	7.1
107.08584	31.4
109.06524	9.6
117.07020	22.5
118.06573	4.4
119.08533	15.4
121.06506	24.3
121.10154	4.4
123.08054	7.3
131.08582	11.9
133.10175	3.9
135.08046	39.5
135.11661	5.1
145.06467	6.5
145.10168	3.8
149.09630	11.6
149.13280	4.3
153.22459	3.4
157.10194	5.8
159.08066	3.9
159.11630	20.3
161.09624	8.1
163.07555	14.3
169.08565	5.1
173.13246	4.4
177.09088	7.8
177.12746	10.8
179.10695	5.7
181.08569	22.7
183.11740	8.3
191.14359	4.9
192.04988	3.8
192.06517	15.6
195.10260	7.9
201.12761	7.7
219.13704	20.7
235.39780	3.6
237.08078	4.1
237.14807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01855	10.0
55.05500	8.4
57.03429	2.3
67.05496	19.0
68.93967	2.6
69.03439	3.9
69.07059	45.5
70.26005	2.2
71.04977	7.1
73.75676	2.6
79.05492	22.2
81.07052	21.3
83.04969	7.7
89.11472	2.5
91.05474	32.2
93.06492	3.4
93.07040	45.4
95.04944	9.9
95.08588	13.0
97.06506	5.1
104.61687	2.7
105.07025	25.0
107.04948	12.3
107.08588	30.1
109.06491	9.8
109.10083	2.8
115.05458	3.7
117.07020	25.6
118.06516	2.8
118.32095	2.5
119.08591	20.8
121.06494	24.1
121.10130	4.5
123.08047	17.3
123.45812	2.6
125.06031	3.3
129.69710	2.3
131.08569	25.4
133.06490	4.1
133.10129	9.7
135.08047	36.9
135.11702	3.7
137.09564	2.8
143.08502	4.2
145.06499	9.7
145.10095	8.3
147.08046	5.5
147.54587	2.7
149.09555	12.8
149.13232	7.6
151.07527	20.8
155.08586	4.7
157.10086	7.6
159.08046	6.7
159.11684	31.3
161.09602	7.7
163.07515	19.2
168.09497	3.0
169.08673	4.9
173.13217	12.7
175.11180	3.9
177.09044	5.3
177.12733	13.4
179.10625	4.6
181.08595	22.7
183.11710	15.9
191.14249	12.4
195.10135	7.8
201.12749	19.3
219.13770	32.8
226.89101	2.8
237.14833	100.0
247.69537	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.05492	39.3
56.96548	19.4
63.58496	8.6
67.05484	22.7
69.07062	23.0
75.33204	8.9
79.05495	11.8
81.03421	11.7
81.07054	25.8
83.04990	62.8
83.08607	47.1
91.05497	12.1
93.07049	23.8
95.04962	11.2
95.08596	12.3
97.06573	9.0
105.07024	13.3
107.08587	33.7
107.39931	10.5
109.06487	12.7
109.10195	28.0
111.04435	32.1
113.09579	12.4
118.06536	17.4
120.07982	9.1
121.06541	34.1
121.10134	13.3
133.10164	16.1
135.08049	15.2
136.08789	24.8
137.29886	10.6
147.06775	15.1
148.07527	22.2
149.13203	17.8
177.12801	21.3
179.10686	50.9
192.06520	100.0
195.13841	33.5
197.00163	14.9
237.07713	15.0
237.14790	57.8
249.43810	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	237.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85822	5.9
55.05498	5.9
57.07073	10.4
67.05486	10.2
69.07033	5.6
70.95866	10.1
72.93803	10.4
77.26353	5.2
77.54515	4.8
79.05505	8.6
79.89897	5.0
80.45441	5.1
81.07040	12.5
83.08605	9.8
93.07031	10.1
95.08611	8.8
107.08622	8.4
108.78768	5.5
111.98474	25.6
129.99458	6.5
132.95827	22.6
150.96899	20.8
153.01131	18.3
154.99080	6.2
155.97377	33.1
173.98508	28.8
196.00475	13.1
197.00070	100.0
197.01717	8.2
234.43456	5.7
237.08777	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	238.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
56.96300	9.7
56.96556	100.0
60.00393	4.1
67.05489	6.3
68.05008	6.0
70.06582	6.4
81.03396	5.4
84.04484	9.6
84.08127	14.3
85.49092	4.6
86.09697	7.9
91.05477	8.2
94.06507	5.1
96.04519	4.5
97.99246	7.4
102.00484	5.2
103.69102	5.0
114.05527	12.1
116.40437	5.2
117.11409	4.7
118.06591	8.4
120.08140	5.2
122.06026	7.6
127.08660	8.6
132.95819	8.1
137.05931	12.7
142.05009	16.0
146.06027	19.1
147.06746	6.7
148.07617	14.2
150.96875	10.4
153.01048	7.3
153.02242	17.2
155.97441	15.1
160.07530	5.9
164.07037	12.2
169.01714	9.2
171.03268	36.5
173.98534	12.6
177.07796	6.1
178.08667	7.2
187.02734	6.9
189.04393	9.3
190.08667	13.8
192.03349	8.9
192.06494	40.5
192.10159	17.6
193.06799	8.9
194.04863	71.6
196.99986	40.9
212.05872	11.9
215.02321	22.3
220.02763	6.8
220.06104	6.4
220.09595	31.2
226.71559	6.1
233.03293	11.9
238.03893	72.5
238.07182	10.7
238.10672	57.9
253.03539	6.0
256.04904	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	238.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.1
55.05511	6.3
56.96560	54.6
57.22717	3.4
67.05484	3.1
68.05022	8.5
69.07050	3.5
70.06577	4.9
70.95854	15.7
72.93778	12.5
73.02906	14.5
79.05488	5.1
81.03410	4.6
84.04499	12.1
84.08134	9.1
87.04453	10.3
93.07063	3.6
96.04500	4.4
97.99195	5.7
105.05487	7.2
111.98466	22.7
112.11885	3.7
113.96466	4.2
114.05525	13.8
115.51079	3.8
120.08109	8.0
132.95851	17.4
142.04985	13.7
150.96953	19.1
153.01100	15.7
153.02269	10.1
155.97401	43.8
171.03287	23.0
173.00020	4.8
173.98457	27.7
189.04314	6.3
192.03409	5.5
192.06612	12.7
192.10214	4.5
194.04878	39.2
197.00072	100.0
207.04929	4.7
212.05902	7.6
215.02249	11.4
220.02835	5.4
233.03392	7.6
238.03822	46.5
238.10654	5.4
256.04892	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	238.1073
Annotation	Funebral
Peak:m/z	Relative Intensity
59.62436	1.5
70.57297	1.8
76.39093	1.8
91.05457	8.1
105.07011	3.2
115.05428	7.4
119.04955	2.0
125.33258	1.7
129.07001	7.2
131.08562	3.0
133.06506	4.2
137.05960	25.3
143.04921	7.2
145.06465	1.9
147.04411	4.9
150.62030	2.0
157.06512	11.3
160.63477	2.0
161.05963	100.0
162.06425	2.7
175.07529	27.4
177.09097	2.7
185.05946	5.1
191.07050	2.9
195.32585	1.9
202.08626	8.6
203.07036	19.6
220.09680	14.0
221.08073	19.9
238.10716	82.4
242.98631	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81297	0.9
56.96552	1.3
65.03928	3.6
68.05043	1.1
73.60558	0.9
84.04479	1.2
86.83285	1.0
91.05489	1.6
97.01256	1.3
108.28139	1.1
111.98486	2.6
114.05514	1.5
120.08113	2.0
121.02883	8.3
121.03734	1.4
132.95847	1.4
133.02846	13.6
136.78543	0.9
137.06000	3.0
142.04971	1.8
148.08423	1.0
149.02332	100.0
150.96924	2.1
153.01105	2.0
155.97495	2.8
161.06062	1.4
164.07190	1.3
164.65823	1.0
173.98494	1.1
176.07056	31.6
190.04974	5.9
192.06505	1.8
193.04935	8.8
197.00044	10.1
220.09705	9.3
221.11655	1.4
238.10698	2.1
239.08900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1073
Annotation	Funebral
Peak:m/z	Relative Intensity
56.96542	2.7
62.80924	1.3
66.37673	1.3
70.06577	3.9
70.95851	1.6
73.02899	2.0
84.04486	4.4
86.59143	1.4
87.25896	1.6
91.05471	2.6
91.71661	2.8
95.04931	3.3
107.04942	4.0
114.05534	4.0
119.08611	1.8
120.77135	1.6
121.06538	1.8
125.78689	1.8
126.56960	1.7
129.06964	2.1
129.39771	1.7
132.05746	1.7
137.05986	2.4
142.04993	5.1
147.08038	5.3
155.97435	2.9
158.88396	1.5
160.05150	3.6
161.05962	2.0
163.03809	2.7
164.07103	1.9
173.98404	2.1
175.07591	9.6
176.40805	2.0
177.05403	2.2
185.05972	2.9
191.07002	4.0
192.06587	2.9
192.10210	3.4
197.00052	5.0
199.52635	1.6
202.08626	8.1
203.07011	66.9
220.09665	100.0
238.07109	2.5
238.10709	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	238.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65295	4.2
57.07071	4.3
59.03198	7.6
61.01128	7.5
65.25134	3.4
69.10049	3.8
70.95874	15.6
71.07639	4.4
71.08627	3.9
72.93789	7.8
73.04762	12.1
75.02666	8.8
77.04254	12.0
86.04279	18.5
91.05799	20.9
91.71134	5.2
91.71594	5.2
93.03741	6.8
94.21530	4.8
99.04427	5.2
100.05820	34.9
102.03780	13.9
111.98505	19.0
113.96384	6.6
114.07364	55.2
116.05295	22.4
128.08994	5.0
129.99542	6.9
132.95871	14.8
133.10477	12.4
137.06007	5.0
146.06046	6.0
150.96967	17.0
153.01161	21.4
155.97386	41.8
156.12032	39.9
173.98566	20.8
179.42784	4.9
192.06505	8.7
197.00061	100.0
229.09969	4.7
238.10757	10.7
238.20007	15.0
258.23709	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	239.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90421	3.3
56.96551	8.9
57.07067	37.3
62.14131	3.3
67.05485	4.8
69.03421	4.5
70.06557	5.4
71.04983	7.3
81.03372	6.9
81.07058	4.2
84.04493	5.3
87.15455	3.6
89.06021	100.0
91.05464	8.1
93.06973	3.9
103.03245	3.2
105.07025	5.3
107.04954	5.6
109.06508	8.9
113.96371	4.3
123.04415	15.8
125.06044	7.0
130.08649	29.9
133.08600	42.3
137.05933	5.1
151.07520	5.5
151.09673	4.7
170.55115	4.1
179.07030	5.9
190.11969	3.8
193.08589	4.2
197.98463	6.1
198.00873	6.7
204.00238	4.1
214.09381	3.9
221.08070	10.3
239.01231	5.4
239.05289	4.4
239.08850	79.1
239.10933	7.7
239.14761	6.9
243.76410	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	239.1641
Annotation	5,7-Dihydroxy-14-nor-8-marasmanone
Peak:m/z	Relative Intensity
55.05499	9.1
55.46949	2.8
56.96552	9.4
57.07053	14.6
57.07302	2.6
67.05505	15.4
69.03414	3.1
69.07044	7.0
74.93130	5.9
79.05486	10.5
80.94835	2.9
81.07039	16.0
83.05009	3.4
83.08639	3.3
91.05481	16.5
93.07047	10.2
95.04931	5.6
95.08584	20.5
96.28227	3.2
105.07024	33.3
106.69020	3.1
107.08551	8.2
109.06488	6.3
109.10155	7.0
110.75850	2.9
119.08578	34.4
123.08052	18.0
123.11679	6.2
133.06467	7.7
133.10115	14.5
137.09592	5.5
147.08066	4.2
147.11670	7.4
151.07565	15.4
165.09164	6.9
175.14830	26.8
193.12241	3.9
193.15865	88.3
197.95970	3.5
198.18549	17.5
203.14377	5.6
221.15352	100.0
239.03410	5.3
239.08894	55.1
239.11230	4.7
239.14403	4.5
251.02245	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.56331	2.1
55.05501	5.1
56.96548	5.7
57.07063	21.3
67.05494	7.3
69.07053	8.4
71.04966	6.0
71.66403	2.9
74.93143	6.3
79.05488	5.2
80.94878	3.5
81.07034	9.8
83.08594	4.4
91.05441	5.2
93.07012	3.6
95.04974	3.5
95.08604	14.7
99.04446	11.4
105.07024	7.5
107.08590	6.2
109.06522	13.5
109.10177	7.3
113.06030	3.8
119.08593	9.8
121.63548	3.6
123.08078	22.7
123.11625	4.7
133.10205	4.1
142.70149	3.9
161.13229	4.8
179.14282	100.0
179.15819	5.2
193.15910	9.5
197.95982	4.3
198.00786	4.6
198.18529	30.8
210.87141	4.1
239.08868	29.5
239.16449	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.59383	3.1
53.26601	3.2
55.05492	15.2
56.96551	20.6
57.03421	5.8
57.07066	68.1
64.07947	3.6
67.05496	41.4
69.07069	20.2
71.04971	20.7
74.93162	8.7
78.52190	4.0
79.05473	13.8
80.94846	8.1
81.07041	53.7
83.04999	4.1
83.08608	9.5
85.06526	39.7
91.05463	13.6
93.07025	39.4
95.04958	4.8
95.08600	100.0
97.06503	16.5
97.10155	7.5
99.08121	9.2
105.07017	21.2
107.08585	41.7
109.06490	8.4
109.10130	28.9
111.08057	7.3
116.97220	4.4
119.08600	15.5
121.10138	71.4
123.11705	12.1
125.09573	5.9
131.97389	4.2
133.10117	18.4
139.11198	12.9
147.11702	24.4
161.13292	8.8
165.12813	4.9
170.24739	4.7
174.99144	5.2
177.16370	5.7
193.00145	6.5
197.96066	6.1
198.00771	15.4
198.18523	37.9
199.00179	4.7
203.17928	28.5
216.01746	6.1
221.11841	6.5
221.18953	15.3
223.74965	4.9
239.03520	9.3
239.08890	40.2
239.20183	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	239.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.2
56.96550	13.3
57.07067	100.0
67.05498	38.8
69.07059	22.3
71.08627	39.1
72.80009	4.4
74.93165	9.2
81.07050	38.7
81.67780	4.8
83.08611	22.3
85.10173	26.5
91.05495	8.2
93.50636	5.9
95.08596	63.7
97.10167	8.5
101.65346	5.2
109.06535	6.3
109.10161	12.2
113.49835	5.2
116.98602	5.3
146.16132	5.7
197.96059	6.2
198.00739	11.4
198.18553	52.3
199.00150	16.9
217.67444	5.0
226.63925	5.3
233.90181	5.5
234.39247	5.4
239.03391	14.7
239.08939	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	240.1018
Annotation	diarylpropionitrile
Peak:m/z	Relative Intensity
80.27813	1.7
80.60300	1.7
91.05495	11.5
95.04942	1.7
98.97566	2.3
107.04942	48.3
117.05740	4.1
118.06537	67.4
119.04968	2.6
119.46679	1.6
134.06004	4.3
140.00230	1.7
146.05997	100.0
195.08266	1.7
212.10735	2.7
222.09082	3.4
240.10205	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	240.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73174	2.7
55.05502	5.5
56.96579	3.7
57.07077	6.2
58.06596	60.3
60.04522	4.8
64.18269	2.7
65.03963	3.6
65.88719	3.3
66.59136	3.2
67.05518	3.6
69.03437	8.6
70.06601	3.0
79.05524	5.2
87.00832	3.5
91.05502	15.6
93.07050	32.4
95.04982	9.3
97.02946	6.6
98.97633	5.3
100.07639	8.0
105.20996	3.1
107.04974	5.9
107.08604	6.9
116.98689	4.5
119.42877	3.2
121.06502	63.9
135.08041	69.0
135.09056	4.2
139.03941	7.5
152.10750	3.3
158.01276	3.7
181.02901	4.8
181.08597	100.0
199.00171	6.0
240.12305	19.4
240.15984	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	240.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77320	2.0
56.96555	8.8
57.07067	3.1
67.10470	2.3
78.06203	2.4
91.05476	20.7
93.07025	6.0
95.04956	5.1
98.97597	10.8
103.05492	4.0
105.07019	5.7
106.06551	6.0
107.04947	59.2
107.05595	4.6
116.98657	8.7
117.05756	5.0
118.06538	86.3
119.04964	3.7
120.08118	6.8
121.06516	22.0
130.06580	3.8
131.07373	2.7
132.08119	11.9
133.08859	46.6
134.06055	9.0
134.99657	4.5
139.98773	3.3
140.00197	11.3
146.06006	100.0
146.09647	21.9
158.01251	7.0
181.02826	16.3
199.00177	7.9
199.03911	4.5
200.02238	4.0
212.10788	6.0
212.28062	3.2
219.46654	3.7
240.06799	3.2
240.10347	18.3
240.13828	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14038	1.3
56.46973	1.4
56.96553	3.7
57.07065	3.1
60.23882	1.3
67.05502	1.8
69.07059	1.8
79.05480	1.7
81.07037	2.0
91.05470	18.0
94.06578	2.5
95.04962	3.9
95.08627	1.7
98.97588	6.3
103.05480	2.6
106.06547	2.3
107.04949	56.0
116.98621	6.4
117.05748	4.4
118.06534	84.0
119.04939	5.0
121.06499	7.5
130.06465	2.0
131.07304	1.8
132.08075	6.8
133.08868	85.9
134.06017	7.6
134.81140	2.0
134.99698	4.7
139.98891	2.0
140.00200	7.3
140.07056	9.0
146.06003	100.0
146.09618	4.0
147.04436	2.4
156.03484	1.6
158.01260	7.4
181.02870	9.7
198.18527	1.8
199.00175	4.7
212.10748	3.7
222.09206	4.4
240.10274	25.3
240.13838	96.3
240.15875	6.3
241.04893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73077	0.7
56.96535	0.8
60.65501	0.8
65.03928	1.7
72.04499	2.0
78.27465	0.9
89.94257	0.8
91.05469	100.0
98.97577	1.8
106.06527	3.3
106.53960	0.8
120.08100	7.3
140.00197	1.7
165.07065	1.0
166.07755	1.7
181.02734	2.0
181.10107	7.7
199.00192	1.4
199.04054	1.1
199.46049	1.0
240.08727	2.3
240.13792	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	240.1382
Annotation	Diphenamid
Peak:m/z	Relative Intensity
57.07050	2.3
74.51064	1.8
91.05457	10.6
91.57887	1.8
92.80468	1.9
93.07026	5.0
103.05439	5.6
107.04942	25.7
109.65059	2.1
117.05759	2.2
118.06522	15.7
119.04945	15.6
120.08082	7.1
121.06487	24.0
130.06496	4.4
131.07295	5.4
132.08058	13.8
133.08853	57.1
134.09654	4.3
135.01675	1.9
139.00230	2.0
146.04417	1.9
146.09628	25.9
147.04382	15.1
165.09802	2.2
173.38818	2.1
240.13809	100.0
257.24896	2.1
264.98291	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	240.1593
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
55.01867	7.2
56.96556	2.0
57.07069	2.1
67.05488	3.9
68.05014	6.2
69.03419	1.5
69.05793	1.4
69.07052	18.8
69.78167	1.1
70.02917	2.6
70.06579	24.6
71.04614	1.9
71.04981	32.4
78.71675	1.3
79.05472	4.1
80.05024	1.2
81.07028	5.4
82.06561	2.8
83.85257	1.2
84.02115	2.9
86.06045	5.4
90.26398	1.1
91.05463	4.1
93.07030	2.3
94.06538	2.4
95.07305	2.2
96.04475	3.1
96.08121	28.6
97.05236	2.5
97.06527	3.0
98.06046	1.6
98.09676	10.0
98.97521	1.8
106.06531	7.7
107.04939	12.3
107.08617	2.6
108.08083	7.0
109.10175	2.7
116.98591	2.2
118.06535	21.0
119.04904	1.4
120.08128	1.7
122.06004	9.9
124.07581	80.8
124.11201	1.5
125.08369	5.4
134.05954	2.5
136.07602	2.1
140.07053	12.0
146.05995	28.9
150.12764	7.2
152.07036	3.4
152.10626	2.5
153.07835	12.3
163.06619	1.2
166.08559	1.5
176.14340	5.2
181.02777	1.7
194.15352	11.8
204.13805	8.0
222.14867	100.0
223.12009	1.6
240.10353	6.1
240.15938	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	241.0856
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
54.29398	4.6
56.96549	18.8
67.32786	7.1
68.99783	11.2
69.03408	7.3
81.03384	7.2
82.03982	6.1
84.08123	9.8
91.05457	16.3
95.04976	7.1
97.43511	6.4
98.97565	21.9
103.61343	6.3
107.04953	100.0
108.05289	16.7
116.98615	15.8
117.07076	8.4
119.04940	73.8
120.08102	11.4
128.06245	8.5
129.07031	7.9
131.04913	21.8
134.99663	8.9
135.04373	7.1
140.00185	17.1
141.07100	8.6
142.07861	6.7
144.05693	10.5
145.06502	19.8
147.04427	66.6
152.06223	12.2
153.06952	15.3
155.95348	6.5
157.06516	44.0
158.01266	21.4
165.07019	20.1
167.08566	19.6
169.06464	16.5
171.08076	29.0
173.09682	9.3
181.02892	25.5
181.06490	48.5
183.08047	11.4
185.09560	13.2
195.08023	43.8
198.06786	9.6
199.07562	28.2
211.07516	23.3
213.09053	24.9
218.03354	7.8
223.07518	44.5
224.06171	8.0
226.06383	6.8
241.08624	95.3
250.77380	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	241.0858
Annotation	2,2'-Dihydroxychalcone
Peak:m/z	Relative Intensity
59.74502	1.1
91.05475	18.0
91.71649	2.4
101.01022	1.3
101.08250	1.2
107.04264	2.9
107.04953	40.9
114.05486	1.5
119.04934	100.0
130.68050	1.3
135.04445	2.2
141.78081	1.5
147.04398	97.8
155.21365	1.4
159.36525	1.4
170.74615	1.4
212.91408	1.6
241.08543	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	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01852	4.4
55.42546	2.6
56.96550	13.5
57.07052	3.7
68.99763	8.7
69.03405	2.9
70.06590	6.4
73.97080	2.6
79.55632	2.9
86.71631	2.6
91.05480	9.0
98.97572	18.3
107.04951	100.0
108.05302	23.6
116.98593	17.2
119.04930	30.5
121.02821	3.2
127.03729	3.2
128.06212	10.5
131.04924	21.9
134.99663	14.5
140.00191	19.1
141.06944	5.3
143.08572	3.7
144.05777	4.5
145.06459	9.7
147.04391	24.0
152.06226	9.7
153.06978	6.4
157.06514	31.2
157.10013	4.3
158.01241	20.5
165.06982	11.0
166.08737	4.5
167.08575	11.0
169.06497	11.3
171.07971	17.5
173.09679	6.1
176.06223	4.9
177.06915	6.6
179.30717	3.5
181.02852	27.9
181.06459	30.5
182.03116	3.7
183.08035	5.1
185.09637	12.2
195.08018	25.3
197.05978	8.0
198.06781	5.2
199.07558	21.5
200.02362	5.6
201.62923	4.2
202.57619	3.7
206.04958	3.9
211.07541	13.2
213.09039	25.2
222.25288	3.6
223.07500	30.9
226.06271	6.0
241.08470	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.23496	0.6
51.79108	0.6
51.94228	0.6
53.01175	0.7
54.57403	0.7
55.53463	0.7
58.06593	24.9
60.15631	0.6
70.06582	2.3
72.08121	0.8
84.07664	1.3
84.08133	13.5
96.27105	1.0
98.09671	2.6
119.04899	1.0
126.91484	0.9
128.10762	4.5
144.10231	2.2
196.09641	5.2
241.15456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1698
Annotation	Borrerine
Peak:m/z	Relative Intensity
52.03696	1.3
53.27756	1.2
56.96540	5.2
58.01055	1.1
69.07056	1.5
70.06577	15.1
72.08144	3.8
80.35617	1.3
80.88051	1.5
82.06553	4.8
91.05447	6.4
91.71259	5.7
93.06997	1.9
97.99217	1.5
98.97568	13.7
99.09260	1.5
107.04968	10.7
116.98638	11.1
119.04919	16.9
121.10114	1.3
129.06982	2.3
134.99643	5.8
140.00174	13.1
143.08539	9.9
144.08047	5.2
147.04387	17.6
153.06853	2.1
155.08528	1.8
158.01215	13.4
170.09644	6.7
172.11151	7.7
181.02837	18.2
182.03075	1.6
194.81819	1.6
199.03973	2.2
200.02357	3.7
202.95699	1.6
212.14343	2.6
222.05402	2.0
222.12798	2.9
224.14310	3.9
231.90892	1.7
241.04974	4.9
241.08542	2.2
241.16963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91644	1.4
56.96562	2.1
70.06607	3.2
72.08146	3.0
82.06573	2.9
84.08137	2.5
86.09692	2.3
91.05513	3.3
91.71072	3.4
92.04957	1.8
94.06586	5.7
108.08143	8.2
110.07198	2.7
112.03823	1.9
118.01655	1.8
118.06580	5.0
119.04932	2.5
122.06048	2.9
130.27603	1.9
136.07562	20.3
136.08348	1.6
137.05974	2.4
147.04462	2.9
148.03886	11.3
164.07050	20.9
164.08162	2.0
174.05530	5.8
181.02818	3.5
192.06538	30.5
192.08051	2.9
196.09685	20.8
224.09157	100.0
242.10051	24.3
242.12224	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	242.1538
Annotation	Acutine
Peak:m/z	Relative Intensity
65.03934	2.1
74.06065	1.5
75.13321	0.4
76.16109	0.4
84.57000	0.4
91.05470	100.0
91.70947	0.9
105.07013	1.1
132.08101	1.0
134.09685	1.5
150.09131	4.6
153.58221	0.5
166.07790	1.5
181.10089	4.2
181.97044	0.5
202.66005	0.5
203.47881	0.5
239.10820	0.4
242.15375	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	242.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.8
56.05022	7.3
56.96556	5.3
67.05479	3.1
67.97080	3.8
70.06592	10.8
71.04973	34.7
71.08623	19.2
73.74355	3.5
85.06633	3.1
86.05421	3.6
86.06048	9.7
91.05493	12.0
93.62054	3.8
94.06593	4.0
96.08116	30.7
98.09673	25.0
98.97642	4.5
99.08123	6.8
104.82802	3.6
106.26686	4.2
108.08138	12.0
112.58125	4.1
119.04978	3.8
122.06062	12.4
126.12825	5.5
140.00269	4.8
140.07106	13.8
147.90244	4.0
148.04723	5.0
154.12393	4.2
155.18739	4.6
178.15985	10.9
181.02806	4.5
196.16974	12.4
196.84923	3.7
200.99611	3.5
206.15489	11.6
224.16406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0876
Annotation	Lumichrome
Peak:m/z	Relative Intensity
54.57248	0.8
57.07044	1.9
70.52558	1.1
72.94868	1.0
77.07883	1.0
82.17933	0.9
84.18819	1.2
87.76655	1.0
90.00805	1.0
91.05468	4.4
92.05802	1.1
95.04942	1.3
100.11227	2.6
103.05442	4.0
112.49196	1.1
114.19116	1.0
118.06506	1.2
130.06500	1.4
138.28304	1.2
138.49971	1.1
142.12173	1.7
145.07588	8.0
159.14890	2.7
170.07135	9.1
172.08685	48.1
185.59608	1.1
198.06615	15.5
200.08153	4.6
216.07663	32.2
218.09160	1.9
230.51006	1.3
239.09309	1.9
243.08746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1129
Annotation	Arenarine B
Peak:m/z	Relative Intensity
53.21893	0.5
53.85945	0.7
55.14750	0.6
73.70384	0.7
88.54076	0.8
93.85344	0.7
101.96851	0.9
144.07129	0.8
161.69154	0.7
215.08131	13.7
228.08971	1.0
243.11253	100.0
244.11534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1654
Annotation	Pro-Lys
Peak:m/z	Relative Intensity
59.52549	0.8
59.90484	0.8
70.06582	8.8
72.08142	100.0
75.01520	0.8
84.08129	1.5
89.63395	1.0
102.05546	2.2
103.96232	0.8
110.09676	7.2
118.41361	0.8
119.01900	2.3
130.05057	2.1
134.36993	0.9
134.38120	1.0
140.06979	0.9
144.28090	0.9
156.06604	1.5
158.08115	11.8
175.10791	2.4
184.04482	1.2
196.91364	1.1
202.43692	1.0
227.13899	4.2
244.16505	16.4
246.82205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1654
Annotation	Pro-Lys
Peak:m/z	Relative Intensity
58.06576	0.6
58.19304	0.6
60.54234	0.5
70.06580	8.3
72.08145	100.0
84.08121	1.4
94.38947	0.6
102.05546	3.0
110.09676	8.4
112.05057	1.1
114.09162	0.9
130.05009	0.9
140.07047	0.8
144.05408	0.6
156.06589	1.0
158.08110	11.0
175.10835	2.4
201.07185	0.7
227.13873	4.2
244.16534	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	245.0812
Annotation	Suberenone
Peak:m/z	Relative Intensity
53.86316	2.0
55.05503	2.7
56.96553	4.5
67.05488	2.5
69.03419	3.5
70.06569	2.2
76.68522	2.3
79.05486	3.1
80.04991	2.8
85.02885	2.7
86.09686	2.8
91.05474	8.0
93.07080	2.8
97.35934	2.2
102.29810	2.2
113.03487	24.1
113.95626	2.3
115.05427	9.4
117.07012	10.3
125.05986	2.8
128.06241	3.5
129.07033	3.4
135.04364	2.5
142.03287	4.1
145.06485	27.1
153.06989	9.5
171.08032	9.9
173.05956	26.0
181.06450	9.6
185.05962	3.2
199.07495	16.2
201.05449	100.0
203.07109	3.0
227.07031	17.1
245.07883	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	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.27086	0.4
56.96559	1.5
57.05822	0.6
65.86857	0.6
66.97826	0.6
69.03419	0.6
69.07058	12.4
69.66285	0.5
70.26414	0.6
74.83576	0.6
77.16628	0.6
80.05017	0.5
81.03439	0.7
81.27346	0.5
84.08121	1.8
86.09697	100.0
91.14150	0.5
95.04964	0.8
107.04929	3.4
110.06039	2.8
113.03487	4.1
121.32428	0.6
132.10236	1.8
138.05499	0.8
142.03288	0.8
152.07124	0.9
160.83797	0.7
245.10081	1.2
245.18613	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05499	3.9
56.54482	1.3
56.96550	3.9
64.80556	1.6
67.05498	1.5
69.07056	6.1
70.06588	1.7
70.32684	1.5
81.03410	2.9
83.90054	1.5
84.04468	1.8
84.08138	3.3
85.06511	2.0
86.09698	100.0
93.07048	1.9
98.97579	1.5
111.04476	1.9
113.03480	12.5
113.96364	2.0
116.98583	1.5
120.71775	1.6
123.04437	1.5
132.10229	3.7
142.03288	2.8
172.97752	3.2
199.18222	2.4
245.18544	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.69033	0.5
53.58139	0.6
54.38850	0.6
56.96554	1.4
57.03406	0.6
57.98421	0.6
63.95068	0.5
70.06562	1.5
73.02911	0.7
84.08125	1.1
84.10586	0.6
84.44044	0.7
86.09698	100.0
97.02883	0.8
107.04962	1.4
113.03493	3.9
117.15617	0.7
123.04479	1.1
132.10210	3.3
135.04419	1.8
142.03200	1.1
172.97810	1.1
197.01343	0.9
199.18092	1.4
245.12958	2.2
245.18669	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	246.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	100.0
57.07053	23.6
61.38212	18.9
63.07928	18.4
63.47986	17.7
77.03730	22.9
81.33712	19.9
96.59870	19.6
116.82257	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	246.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	17.1
65.23368	11.6
70.06583	50.6
72.08144	16.0
80.57283	11.8
84.08131	32.6
91.05462	23.0
95.04956	11.6
98.06042	11.3
112.07587	31.4
119.69380	11.1
119.86327	10.3
120.08079	28.6
123.06741	13.0
137.05968	39.9
146.18306	10.9
157.07631	45.2
160.07562	16.5
170.08405	21.5
171.09190	70.4
172.09927	28.9
173.35503	11.9
183.09187	35.6
184.51012	11.5
199.08640	98.9
210.07533	17.0
211.08676	14.5
217.09668	82.2
228.08647	12.5
228.11310	15.3
229.09673	72.6
246.07510	15.4
246.12427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.3
62.99080	2.1
64.81041	2.3
67.05488	4.4
74.46143	2.4
81.07058	3.8
87.91889	2.5
91.05477	14.1
95.18176	3.0
109.10145	4.7
119.08589	28.7
121.06509	3.3
137.05968	14.8
137.09581	3.9
147.08043	92.8
165.09096	100.0
193.08583	29.0
211.09636	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	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03771	1.2
57.07066	9.7
65.93000	1.1
68.05595	1.2
70.06226	1.7
70.06583	17.9
71.08607	2.8
75.51836	1.1
88.07621	23.2
95.17440	1.1
101.84229	1.1
102.09172	4.7
106.08659	12.7
109.40874	1.1
112.17188	1.2
116.63145	1.1
122.26075	1.2
127.16338	1.2
149.83701	1.4
228.23265	8.6
246.24258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06797	0.5
57.07065	9.3
58.06571	1.1
62.06068	0.6
70.06582	18.2
71.08625	2.3
85.10154	1.7
87.21336	0.4
88.07619	23.6
94.70128	0.4
102.09168	6.2
106.08659	11.3
107.14008	0.4
116.34966	0.3
137.04988	0.4
160.72203	0.4
168.95572	0.4
202.21646	0.9
216.98351	0.4
228.23215	7.0
228.25291	0.3
246.24254	100.0
247.24632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05261	4.8
56.05023	7.8
56.96561	46.2
65.24515	6.4
69.07055	10.6
70.02937	6.0
70.06578	27.0
70.98118	10.1
71.80127	4.7
72.08147	13.4
74.02453	7.2
84.04491	10.3
84.08132	16.4
86.09689	100.0
88.03980	36.5
88.99151	6.7
91.05470	8.8
97.99175	15.3
108.74921	6.2
110.02398	12.5
112.07593	6.3
116.07117	11.8
131.04926	6.1
132.10219	23.7
133.10455	5.8
137.06027	9.3
141.10226	17.2
144.73360	6.2
145.06476	6.8
146.99704	9.4
158.01346	6.9
161.71799	6.5
166.08664	19.1
170.01237	13.0
187.10716	6.7
188.02354	16.9
188.08224	6.2
201.12364	32.1
211.03943	26.3
212.09296	10.3
228.01790	14.6
229.11842	7.0
233.65242	6.1
269.04453	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	2,3',4,5'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
50.83972	1.3
55.01880	1.4
58.14738	1.3
64.36706	1.3
65.03920	2.1
67.05505	1.5
69.03425	2.9
73.02918	1.9
81.03423	2.1
81.07047	14.3
85.02893	2.2
86.09690	7.0
87.10034	2.6
91.05474	35.0
92.50041	1.5
95.04971	2.2
97.02878	2.3
107.04955	4.7
109.06519	14.5
111.99981	1.4
117.07018	1.6
119.04934	12.1
120.08068	1.8
123.04414	15.9
124.04760	9.2
131.53651	1.5
135.04398	1.7
137.05972	100.0
154.08687	1.8
201.00710	2.2
206.01302	3.5
224.02379	4.1
247.03903	6.7
247.09912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73005	2.4
53.75005	2.4
56.05023	3.4
56.96550	6.4
57.07080	2.4
61.01123	3.5
68.07575	2.5
68.24380	2.3
69.03423	4.0
69.07047	4.1
70.06570	11.3
72.08144	5.2
81.04514	2.5
84.08125	20.6
86.09702	47.4
88.03986	24.6
91.70956	3.1
95.39338	2.4
96.04506	2.6
98.06094	3.2
104.05375	2.6
106.06545	3.3
110.02397	4.7
113.10761	4.1
116.07082	9.8
122.07133	3.5
132.10182	22.5
137.06024	4.1
141.10229	4.2
160.08740	9.1
161.07112	7.9
164.07005	5.8
166.08638	5.3
174.10251	22.4
176.10558	3.6
178.09839	3.6
187.10872	4.4
197.59857	3.0
201.12401	12.9
202.09680	21.6
219.12360	6.9
229.11937	4.4
247.11899	100.0
247.14230	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	247.1288
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
55.62648	4.8
56.96553	19.1
62.31963	5.2
66.60513	5.9
69.07035	14.0
70.06574	24.8
72.08133	8.2
79.65620	5.6
84.04477	6.4
84.08157	44.0
86.09704	100.0
88.03988	48.8
89.97142	6.2
90.05537	6.8
91.05452	10.5
97.02876	5.8
104.05350	9.9
104.15068	6.2
113.64096	5.6
131.11528	5.8
132.10254	35.6
132.94669	7.2
138.45729	7.3
139.58031	6.5
141.10237	18.0
164.07030	12.1
166.08566	8.2
181.02686	7.2
200.02345	13.2
201.12320	23.6
212.09245	8.7
216.45792	6.6
227.41577	8.0
229.11823	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	247.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.7
56.05027	50.1
56.82545	2.3
56.96553	9.0
58.06590	16.4
58.88803	1.7
59.04968	2.2
60.04504	2.1
61.28592	2.0
69.03422	2.4
69.07066	2.8
70.02941	2.1
70.06593	11.1
71.01336	2.8
72.04524	2.3
72.08147	60.0
73.02911	19.4
74.06065	16.1
75.04465	2.5
84.04496	74.1
84.08130	24.2
85.02911	3.6
86.09699	23.0
88.03986	4.8
88.07617	3.8
90.03776	35.7
96.04505	2.7
98.97634	3.2
102.05531	20.6
103.03956	6.5
105.05524	3.1
106.75235	2.3
110.06054	3.8
111.09187	2.5
116.07114	3.4
118.03232	24.2
118.08647	5.4
121.00402	2.2
128.03461	7.3
129.10210	12.7
130.05011	22.7
130.08636	3.2
131.03471	2.9
133.04977	10.4
135.02138	2.3
156.04765	9.9
160.06071	4.7
172.06125	3.0
176.09187	7.8
186.07639	8.3
188.05568	5.8
190.07222	3.3
204.08658	100.0
226.11862	2.8
230.04744	5.0
247.03778	3.2
247.07443	10.6
247.10718	4.2
247.12628	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	247.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	11.4
56.96552	12.9
65.03915	5.0
66.75314	3.4
67.05473	5.0
69.03424	7.5
74.06062	18.9
79.05487	3.8
81.03401	7.5
84.04507	8.8
84.08128	4.8
85.02892	11.5
86.09700	100.0
91.05460	5.3
95.04947	10.0
97.02876	8.7
107.04966	5.7
116.07079	18.0
118.12278	5.3
121.06596	4.0
123.04453	30.8
127.03934	10.7
127.79308	4.3
129.60312	3.8
134.08127	49.3
144.06589	8.4
151.03902	7.0
180.81923	4.3
201.00584	7.5
206.01189	6.8
206.08133	5.7
221.50563	4.9
224.02264	9.1
229.15291	6.2
247.03912	10.9
247.16534	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.94217	1.5
55.01863	2.1
55.05303	1.3
55.05501	11.6
56.36428	1.6
57.03438	12.4
57.03663	2.0
57.07059	1.8
66.43063	1.5
67.05497	19.2
69.07051	6.5
70.06564	2.4
71.04985	3.8
73.13126	1.5
79.05161	1.6
79.05496	18.8
81.07040	16.5
83.04989	5.2
83.08601	2.4
85.06544	4.6
91.05470	46.0
93.07039	17.2
93.52731	1.8
95.08600	18.2
99.40479	2.0
100.17857	2.1
101.05991	2.7
105.07020	42.3
106.08667	2.3
107.08595	8.0
109.06539	2.7
109.10155	2.0
114.07673	1.9
117.07008	21.8
119.08575	58.0
121.10152	3.2
123.08059	2.0
129.07014	15.2
131.08562	31.0
133.10144	13.5
135.08034	4.4
141.06999	7.7
142.07780	2.8
143.08556	7.3
145.08997	2.7
145.10127	41.3
147.08018	2.5
147.11693	16.6
149.09615	3.5
155.08591	5.0
157.10132	24.0
159.08051	3.5
159.11684	13.4
161.09616	2.3
163.11169	4.7
169.10120	8.5
171.11725	3.6
173.09560	2.8
173.13229	14.2
175.11186	26.6
183.11687	8.9
185.13243	18.5
187.11121	3.7
187.14743	12.0
201.12794	2.3
201.16374	6.9
211.14798	22.7
229.15877	32.7
245.07742	2.3
246.24126	4.9
247.16914	100.0
247.24557	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05512	9.1
56.96555	15.9
57.07053	11.2
67.05488	23.8
69.07064	19.1
71.04953	6.1
79.05485	23.7
81.07042	23.6
84.04481	9.9
91.05488	35.6
93.07032	25.0
95.04957	10.8
97.06508	12.4
105.07043	25.4
107.08594	17.0
109.06506	8.9
117.07040	10.3
119.08585	17.1
121.06474	8.6
121.10149	9.9
127.11359	7.8
131.08540	37.3
135.08022	8.6
137.06030	9.0
145.10143	28.7
147.11673	8.2
149.09631	28.9
159.11819	9.3
161.09648	11.9
163.07535	8.8
179.10680	7.9
187.14873	10.9
219.13565	8.9
229.15790	14.1
247.16884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.47012	3.6
55.05499	8.9
56.96540	8.5
57.07058	8.1
67.05486	18.4
69.07043	10.4
71.04976	5.0
76.01793	4.3
79.05472	12.6
81.07040	14.1
83.04958	4.8
91.05455	24.5
93.07034	19.4
94.20963	4.4
95.04978	4.7
95.08615	7.1
102.47170	5.6
105.07003	33.1
107.08596	15.5
109.06506	7.8
111.13693	5.4
117.07021	7.0
119.08578	20.2
121.10149	7.1
123.08056	5.8
131.08592	24.7
133.10133	11.9
134.98120	4.4
135.08083	5.8
143.08582	7.2
145.10109	29.3
149.09618	16.3
159.08086	6.8
159.11707	10.0
161.09514	5.9
163.11130	13.7
163.12555	4.8
166.84216	4.5
169.10091	6.1
173.09671	8.7
187.14883	9.2
191.10664	5.5
229.15846	14.9
247.16879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05497	12.2
56.96557	13.5
64.36646	6.8
67.05493	26.4
69.07039	13.5
70.41640	6.6
79.05480	21.1
81.07047	20.1
84.08102	8.1
91.05482	49.9
91.71686	9.2
93.07048	14.0
95.04963	10.7
95.08613	18.4
105.07018	59.8
109.10181	10.0
110.10522	16.8
117.06980	24.8
119.08593	36.2
129.07031	11.6
131.08556	35.1
133.10153	32.2
141.06987	9.3
145.10135	44.1
147.11696	14.8
156.07224	8.1
173.13208	9.1
180.11168	7.4
180.69974	7.6
185.13275	17.7
187.14842	10.4
211.14745	20.0
229.15976	25.9
247.16916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05489	15.9
56.96567	14.5
62.04542	7.9
62.05817	7.3
67.05485	19.8
69.07044	10.7
78.14732	8.5
79.05457	11.6
80.29699	9.9
81.07055	25.1
88.60334	7.4
91.05476	38.8
93.07019	17.9
95.08606	23.4
105.07045	54.3
107.08595	9.7
115.05379	8.6
117.07078	19.4
119.08563	48.6
121.06554	11.5
121.98066	10.1
129.07021	12.4
131.08560	26.2
133.10164	21.1
145.06433	11.2
145.10104	43.7
147.11679	16.2
157.10138	14.2
175.11159	11.0
185.13310	16.4
209.57176	9.1
211.14841	13.9
229.15897	11.8
247.16893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50434	3.1
56.05024	7.2
56.96552	7.1
58.35270	3.6
60.04512	8.8
61.40755	3.1
67.05495	4.1
67.35384	3.4
68.05033	4.4
70.06579	23.8
71.57709	3.5
71.65997	3.3
72.04495	4.3
72.08151	12.3
74.05537	3.9
74.06052	3.6
81.03416	19.9
84.04504	4.0
84.08119	8.3
86.09659	5.6
91.05521	4.7
96.04462	4.7
98.06055	8.4
100.06950	4.8
100.07609	100.0
103.03937	7.5
112.07545	5.8
120.08068	6.5
137.06006	6.2
140.07115	4.7
140.73730	3.7
152.07024	6.2
170.52084	5.7
202.10904	4.3
212.09248	6.7
221.05466	4.3
230.10240	13.3
242.48302	4.8
248.11263	25.6
258.89914	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	248.1129
Annotation	Valinopine
Peak:m/z	Relative Intensity
53.77566	3.5
56.05005	3.5
56.96557	5.3
69.07056	38.8
70.06583	11.7
74.43327	3.9
79.92868	3.7
84.08123	7.0
86.09698	100.0
87.00419	3.8
91.05477	17.0
98.02406	23.6
98.98146	4.0
110.02400	17.5
115.61886	5.1
116.03474	24.9
116.30314	4.6
119.04948	5.4
121.06508	6.2
130.28618	4.1
134.04463	10.7
135.56462	4.1
137.05974	38.2
138.06281	8.6
166.08621	16.1
181.91287	4.5
184.09657	24.5
192.43449	5.5
202.10736	52.9
230.10269	5.1
248.09082	7.3
257.71094	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	248.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.03416	10.6
57.07066	4.0
58.99576	5.9
61.01142	6.3
62.99047	2.3
63.53448	2.1
67.05493	31.2
69.07038	5.8
71.05012	2.5
71.08619	7.6
72.41101	2.1
76.02222	19.8
77.00619	4.2
79.23703	2.1
81.03403	2.5
81.07042	4.5
83.08630	4.4
89.00621	18.8
97.10175	6.0
99.08123	2.7
105.00078	5.9
107.08671	3.1
109.10143	22.2
122.02715	61.3
127.11178	38.4
135.61226	2.5
159.08382	100.0
176.75955	2.8
214.96989	2.7
218.41554	2.7
248.09135	5.9
248.13167	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14603	45.7
54.77722	46.4
55.85299	49.4
70.07654	55.5
72.10045	57.7
79.50066	59.8
94.93022	84.9
101.43221	52.8
249.03775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
56.96550	0.9
57.07059	0.8
67.05492	0.8
70.06551	0.8
76.61826	0.6
77.03896	1.0
79.05477	0.6
81.03421	0.7
81.07038	3.4
86.09699	2.3
91.05484	0.9
95.04955	1.9
95.74153	0.5
105.03389	1.4
107.03576	0.6
109.06505	3.7
120.10123	0.6
121.06486	1.6
121.34445	0.6
123.04422	100.0
127.07561	5.3
137.05977	1.1
162.09129	0.7
169.46655	0.6
210.52269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36276	3.8
56.96546	5.2
75.82605	4.4
77.91962	3.9
81.03455	4.6
90.68812	5.8
107.21521	6.2
135.03693	5.1
204.27068	4.9
249.07378	5.9
249.14529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
52.82456	1.3
55.01860	12.0
55.02016	1.1
55.05495	2.5
56.02976	1.3
57.07058	2.4
67.05489	6.0
69.03429	2.6
70.06566	4.8
71.05006	1.7
71.06892	3.3
79.05480	11.7
81.07049	53.5
83.04958	4.1
83.08601	2.5
85.02881	2.3
88.07630	4.4
89.07929	2.3
91.05470	8.5
91.71655	3.1
93.07026	4.9
95.08598	7.5
105.07034	4.0
107.08572	16.1
109.06508	17.3
109.10174	2.4
111.04432	7.0
112.75551	2.2
119.08566	4.8
123.89134	2.1
125.05983	4.9
135.08043	3.3
137.05974	100.0
149.09573	2.6
151.07587	4.4
161.09586	2.5
175.14822	3.3
175.32239	1.9
185.13290	3.8
203.14507	3.9
213.12836	4.4
219.55325	1.8
231.13855	3.2
248.24846	18.8
249.14948	7.0
249.25156	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
54.18926	23.7
56.96558	50.9
63.44949	20.3
67.05500	27.9
69.03419	90.3
71.44148	22.9
72.34577	21.1
74.37678	21.6
78.84923	25.7
81.07040	57.2
83.04959	44.3
91.05473	64.4
91.71005	59.5
93.07050	75.9
95.04963	38.6
105.07014	27.6
107.08552	25.9
119.08564	62.7
121.06496	28.1
124.17612	24.6
133.10156	24.2
137.55522	25.1
138.52011	25.3
147.08069	100.0
196.64015	26.6
230.42459	28.8
248.24846	37.5
249.12260	24.5
249.14941	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
55.01859	14.1
55.05497	7.1
56.96529	3.1
57.07062	2.3
67.05473	7.6
69.03408	3.8
79.05489	12.8
81.07045	41.6
83.04963	2.9
91.05476	6.6
93.07036	6.3
95.04961	3.1
95.08575	7.1
105.07005	5.4
107.04958	3.1
107.08587	15.0
109.06496	15.5
109.10145	3.2
111.04428	12.6
119.08559	5.6
125.05986	4.4
131.08652	3.0
134.05930	3.0
135.08063	4.0
137.05969	100.0
143.08501	2.7
147.07999	2.9
151.07533	4.0
161.05881	2.7
161.09552	3.1
175.14813	3.0
185.13266	6.6
203.14294	5.6
213.12825	6.3
221.15308	3.6
231.13737	3.5
231.46941	2.3
249.12502	2.4
249.14876	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	249.1486
Annotation	Hypnophilin
Peak:m/z	Relative Intensity
50.27114	5.6
55.05492	11.8
67.05489	13.0
69.07053	20.6
79.05516	7.8
81.07046	23.1
91.05469	25.1
93.07034	11.4
95.08604	27.3
105.07037	16.6
109.06494	13.7
113.02399	8.6
121.10146	28.4
123.04441	7.8
123.08042	15.2
127.63455	7.2
133.06503	11.3
135.08058	7.3
137.05969	9.5
137.13326	8.7
147.08064	13.0
162.06766	10.4
167.56898	7.8
175.07588	17.3
179.07013	53.1
228.72183	8.1
231.13808	100.0
237.30244	7.6
249.14828	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	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
55.05511	29.5
65.23724	14.2
67.05506	31.9
68.96487	14.0
69.03426	42.1
69.07074	55.2
72.60017	12.5
74.09680	13.9
77.35371	13.0
79.05495	31.5
81.07064	25.1
83.05006	37.7
83.08626	17.6
85.06557	54.3
91.05500	38.3
93.07053	32.4
95.08624	54.9
105.07063	56.9
107.08630	39.9
109.10184	27.1
113.08200	16.1
119.08601	100.0
121.06522	23.3
121.10220	48.2
129.07153	16.4
133.10190	49.0
137.09570	92.2
147.08102	41.3
147.11748	60.5
163.11221	19.4
175.11188	30.8
175.14833	17.2
203.14322	18.6
249.18623	48.0
269.19104	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	249.1848
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
55.05493	35.0
55.83518	10.9
56.96554	19.2
57.07086	14.4
58.18783	10.4
67.05493	51.1
69.07059	15.9
79.05463	85.5
81.07030	58.5
87.60865	12.7
91.05472	59.0
93.07027	100.0
95.04954	26.7
95.08591	46.6
98.81847	16.2
102.21037	12.8
102.82300	13.1
105.07023	52.5
105.82253	14.0
107.08586	56.6
109.10172	22.9
119.08553	25.3
121.10146	32.7
133.10126	42.4
135.11670	45.7
147.11705	28.9
249.18509	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.41164	3.3
53.00291	5.9
53.03926	4.9
55.05503	23.7
55.44963	3.8
56.96556	5.6
63.97641	3.2
67.05499	33.3
69.07056	29.6
79.05074	6.8
79.05483	63.1
80.12634	3.7
81.07047	34.8
83.04992	4.2
83.08609	13.0
85.06531	12.9
91.05470	37.3
93.07040	100.0
95.03531	3.7
95.04965	15.4
95.08595	33.8
99.43801	3.9
105.07010	33.3
107.08583	51.3
107.13396	3.8
109.06482	5.1
109.10165	7.3
119.08574	21.0
121.10143	44.6
122.61716	3.9
131.08568	6.3
133.10150	25.3
135.11687	28.6
145.10062	7.5
147.07996	6.6
147.11688	19.3
149.09663	5.1
149.13251	13.4
170.44739	4.5
171.11732	5.3
189.16486	5.2
249.18486	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	250.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16747	9.9
53.65163	8.1
56.96548	48.3
60.64793	10.9
65.22423	9.6
75.52711	8.7
78.81262	9.2
86.09642	13.1
107.04949	100.0
121.06530	14.1
138.42651	10.8
148.60385	11.3
164.07205	14.3
167.00073	14.6
176.75111	11.7
178.08633	16.8
183.03333	23.4
185.01234	16.1
191.07057	13.0
195.25412	11.2
201.04292	34.9
203.78622	13.2
206.04950	26.5
208.02832	14.9
212.77205	11.1
224.05980	34.0
245.03384	15.3
247.07594	18.4
268.04761	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	250.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	44.2
61.20156	7.2
65.64362	5.6
65.64814	5.8
86.09708	7.6
91.71036	13.6
95.04945	9.4
107.04945	100.0
109.06522	8.2
110.36311	7.7
137.06018	11.3
140.89914	7.3
165.02219	10.1
167.00101	12.7
170.18472	8.2
183.03355	13.2
185.01289	12.3
201.04318	19.2
206.04907	27.9
208.02832	13.5
222.11259	10.5
224.06018	19.6
247.07556	21.2
250.03909	12.9
250.10696	20.8
258.74515	10.9
267.16940	9.2
268.04947	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	250.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63482	0.5
56.96530	0.8
57.03413	0.6
62.88471	0.5
67.01841	1.7
70.06578	1.1
71.30749	0.6
72.72728	0.6
77.69646	0.5
88.16602	0.6
94.04040	0.6
98.98466	1.3
105.88593	0.6
110.06087	0.7
119.03537	0.9
121.06466	1.2
123.07930	2.5
130.05028	1.0
133.01390	1.7
136.06180	100.0
137.04549	1.1
144.24907	0.6
156.06615	0.6
161.00899	3.3
199.84375	0.6
205.51172	0.6
206.11794	1.0
209.33397	0.6
250.09193	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	250.1073
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
55.01840	2.3
56.05013	3.9
56.96527	3.5
59.53187	2.5
60.04515	3.9
68.04995	4.6
69.03401	6.5
70.06574	11.7
71.04987	5.1
71.39601	2.7
72.04504	5.5
72.08146	3.3
74.00693	2.9
74.06079	3.4
77.06626	2.6
78.03665	2.7
81.03394	7.5
83.04948	6.3
84.04475	23.1
85.02884	4.9
86.06049	13.4
86.09680	3.0
88.07595	8.3
91.05477	7.8
94.06559	3.2
96.04474	8.6
97.02873	9.2
98.06016	3.6
100.07600	22.1
103.05471	5.7
105.07020	4.7
111.04436	8.7
114.05501	15.6
115.05434	5.4
121.06489	4.6
122.02698	3.1
122.07201	6.0
127.03967	4.0
130.05016	7.0
131.04947	4.2
133.06447	5.3
134.05962	5.0
136.07625	3.8
137.05981	17.0
141.99977	3.5
143.04924	3.5
145.06378	4.4
149.05988	6.9
150.07776	24.0
151.07521	12.2
160.07594	4.1
161.05998	8.0
162.09131	4.3
177.07910	5.7
178.08640	6.6
190.08665	8.7
204.10136	6.8
208.09682	4.0
214.10759	7.5
222.11192	17.7
232.09673	17.5
232.11841	23.3
250.10690	100.0
250.13000	15.8
258.38123	4.5
270.83102	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	250.1074
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
51.23589	0.4
52.09499	0.5
56.96558	0.5
59.88277	0.4
63.38435	0.5
78.54044	0.5
79.05482	3.7
83.17560	0.5
86.09713	0.8
95.04946	1.4
98.98451	1.2
100.03886	0.5
103.05470	3.3
105.07022	100.0
122.09654	1.0
130.06538	1.0
146.09641	2.0
158.09666	1.0
165.65266	0.6
186.09126	52.4
204.10205	2.1
232.09666	13.2
250.10754	6.5
257.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1801
Annotation	Nupharidine
Peak:m/z	Relative Intensity
51.98315	6.5
53.21966	6.1
56.96532	10.9
57.07064	51.7
62.56454	6.4
63.82225	5.9
76.29256	6.9
88.07651	9.0
98.98434	20.9
107.04944	76.2
110.41779	7.0
126.52727	8.4
147.08009	8.7
163.11212	23.9
194.11713	100.0
241.02086	9.0
250.18007	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	251.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.7
56.96545	3.0
66.68943	1.2
67.05489	1.1
70.06607	1.7
77.44015	1.3
81.07041	1.6
84.04494	20.1
84.08120	3.0
84.94604	1.2
86.09686	4.9
86.39922	1.2
98.98474	11.6
102.65831	1.1
105.07026	57.8
106.07359	4.9
107.04964	1.6
109.07559	1.4
110.07135	2.7
112.59204	1.3
122.09666	21.5
130.04984	2.2
135.06656	13.3
137.06001	1.5
137.07855	1.4
146.09650	3.4
152.04010	1.4
179.05109	4.4
180.76779	1.6
187.09680	5.0
187.81093	1.6
187.97704	1.4
198.76408	1.5
205.13316	2.0
210.06947	6.8
220.07790	21.6
233.08479	3.0
234.11205	10.0
251.09593	100.0
251.13852	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	251.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30308	0.8
70.06554	1.2
72.08128	0.9
76.22775	0.8
81.07072	0.7
84.04501	0.9
84.08118	2.5
85.01120	1.0
86.09674	2.8
98.98447	4.7
99.02654	2.7
107.04936	5.7
107.50159	0.9
109.06555	0.8
120.08105	1.7
129.10268	1.4
165.04805	1.5
179.05130	11.5
183.05916	5.0
192.05943	6.9
210.06947	39.4
219.06990	1.1
220.07741	18.0
234.07126	1.1
251.09595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99391	1.3
67.05503	2.0
67.46137	1.4
69.03403	2.0
69.07058	1.8
70.06559	3.1
77.03906	2.1
79.05473	2.4
83.06102	8.3
84.04507	15.5
84.08128	6.3
85.02882	2.5
86.09698	5.6
89.03840	1.5
91.05469	1.9
93.07026	2.0
94.06544	2.4
95.04963	10.3
98.98450	17.5
101.07153	3.9
105.03381	100.0
105.38334	1.8
116.19448	1.7
120.08099	2.8
121.06504	3.7
122.06017	12.3
129.06581	8.0
129.10196	2.6
130.05006	2.3
137.05891	1.9
137.79379	1.6
137.80504	2.2
140.00157	2.3
162.83759	1.6
169.51741	1.9
234.07585	2.6
251.09225	2.6
252.08757	2.0
254.07983	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1389
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.40865	0.4
54.27119	0.5
56.05022	1.7
67.20099	0.5
79.05486	1.5
82.16116	0.6
84.04494	34.2
91.70966	0.7
91.92798	0.6
94.75400	0.5
95.04903	0.7
101.44173	0.6
103.05459	1.4
105.07023	100.0
122.09658	34.6
130.04997	4.2
146.09618	3.3
150.92076	0.6
163.24594	0.6
167.10590	0.5
168.97496	0.6
172.57867	0.6
205.13361	4.9
234.11227	21.0
236.19807	0.6
251.13887	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	251.1429
Annotation	(R)-5-Deoxyindenestrol
Peak:m/z	Relative Intensity
52.27223	1.2
53.39560	1.1
58.73814	1.6
59.75410	1.4
61.53329	1.2
62.76495	1.3
63.88967	1.4
68.40680	1.4
74.99490	1.4
79.05470	1.6
82.50530	1.8
91.05472	24.8
95.04980	1.7
98.98486	2.0
103.05490	5.4
105.07027	100.0
111.15867	1.4
117.07014	6.9
129.07025	8.9
131.04921	26.7
131.08539	9.0
133.06444	2.3
145.06456	17.6
145.10103	7.4
146.07257	32.1
147.08112	3.2
155.08511	3.6
173.09636	3.1
191.08574	2.3
205.10054	1.9
218.10878	2.8
231.95779	1.5
233.13235	9.9
251.14279	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	251.143
Annotation	(R)-4'-Deoxyindenestrol
Peak:m/z	Relative Intensity
53.28795	1.9
53.75357	2.0
56.96553	2.4
57.07069	2.6
61.53066	1.6
61.97293	1.6
63.27259	2.1
66.67809	1.9
73.80020	1.7
75.63538	2.0
79.05491	2.7
81.07011	2.5
91.05461	29.0
95.17148	2.1
97.17488	1.7
97.94455	1.9
98.98454	9.6
103.05450	6.0
105.07024	100.0
117.07001	8.2
129.06978	8.5
131.04910	21.3
131.08580	5.2
141.25186	2.1
145.06488	17.1
145.10089	3.5
146.07256	29.0
173.09601	3.7
204.09418	4.1
205.10124	4.6
218.10974	2.5
233.13242	9.3
251.14311	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	251.1641
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
55.01861	4.5
55.05489	4.2
56.71604	1.8
56.96544	5.7
60.22544	1.6
67.05481	8.2
69.03393	3.0
70.30933	1.8
71.05018	2.6
71.93995	1.9
75.34072	2.5
76.26894	1.9
79.05476	14.8
81.07066	14.9
83.04943	3.3
88.93459	2.4
91.05462	16.9
93.07041	28.8
95.04947	7.4
95.08572	6.8
96.33317	2.2
98.98459	17.3
105.07020	21.0
107.04945	6.9
107.08588	28.8
109.06487	5.3
114.58939	2.7
117.07027	12.2
119.08575	7.8
121.06494	10.8
121.10115	10.2
123.08083	2.6
131.08563	25.3
133.10126	7.6
135.08049	16.6
137.09619	4.8
140.01151	2.8
145.10112	5.6
147.08104	2.5
147.11696	4.5
149.09601	47.4
155.08475	3.6
159.08054	4.4
159.11780	2.5
163.11183	8.0
171.11746	4.4
175.11128	3.0
177.09024	12.0
187.14841	2.4
191.10696	5.3
193.12296	2.5
195.10147	10.8
196.01137	2.7
197.13094	2.8
209.11682	5.4
215.14333	9.2
233.15314	13.4
251.16389	100.0
255.10808	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sch 725434
Peak:m/z	Relative Intensity
51.62903	4.2
53.96541	4.2
55.05489	6.3
55.70854	3.9
56.96546	10.8
57.06803	6.4
57.07067	100.0
63.30690	3.7
77.34367	3.9
81.07049	9.4
91.05451	8.1
95.08622	6.3
98.98481	30.3
117.18293	5.0
127.85792	5.0
139.03920	17.7
146.75146	4.6
192.26103	5.0
195.10139	35.6
251.16327	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sch 725434
Peak:m/z	Relative Intensity
54.73414	1.6
55.05503	2.4
56.96551	3.4
57.07071	15.8
67.05499	4.5
69.07052	5.0
79.05482	3.0
81.07036	3.8
83.08620	2.2
91.05479	3.8
93.07030	4.9
95.08580	4.6
95.76048	2.0
98.98477	10.0
105.07015	6.4
107.04948	5.2
107.08570	11.4
108.05264	3.2
111.86040	1.5
119.08556	6.0
121.10143	17.9
122.10898	1.9
123.08015	2.8
131.08543	3.8
133.10107	3.1
135.08034	3.1
135.11694	2.8
138.09244	1.7
145.10069	3.9
146.34042	1.9
149.09628	3.9
153.09114	2.3
158.10875	2.5
163.14786	7.8
173.13277	3.1
177.09116	2.5
191.14252	13.1
194.11755	5.3
195.10228	2.9
195.12085	7.8
209.15292	4.9
213.96387	2.0
251.16377	100.0
262.10214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.54022	9.2
56.96552	34.5
57.07060	12.8
62.62831	10.1
71.04979	32.6
74.57359	11.5
85.06536	13.5
85.47886	9.7
91.05464	15.7
95.08562	14.6
98.98441	100.0
105.07014	15.7
119.08562	21.8
120.20443	13.3
121.10122	17.0
131.08560	22.3
137.09631	25.5
145.10123	13.2
147.08064	43.6
163.11264	13.0
163.51340	13.5
233.15395	24.7
251.12598	36.5
251.16328	26.5
256.70374	13.6
265.83221	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	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.46375	15.4
53.42753	14.3
54.12430	14.5
55.05502	45.4
56.96555	21.1
57.07077	62.2
61.17090	15.7
67.05512	30.8
69.07076	55.2
71.08634	27.2
81.07071	60.8
83.08661	19.6
93.07037	45.5
95.08619	60.5
98.98457	100.0
105.07058	27.2
105.55163	19.0
109.10146	24.6
114.69468	20.2
121.10140	26.6
125.06049	29.6
144.28847	18.9
147.89122	17.5
213.39473	20.1
225.26067	19.6
251.20079	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
50.16198	0.9
55.05495	5.0
56.96552	1.3
57.07057	1.4
65.03942	2.9
67.05495	100.0
69.07063	7.3
71.04967	1.6
79.05484	8.9
81.07047	78.8
83.04967	2.2
83.08623	4.0
91.05474	5.5
93.07042	14.4
95.04964	1.5
95.08595	58.1
97.10179	1.2
98.98452	5.0
105.07026	3.2
107.08578	8.8
109.10149	36.7
110.86531	1.1
111.08018	1.2
117.07028	1.6
119.08585	3.0
121.10155	8.0
123.11691	19.3
131.08572	3.2
133.10114	3.6
135.11679	7.6
137.13249	4.8
145.10147	2.1
147.11678	2.2
149.09583	2.6
149.13257	3.6
159.11670	2.1
163.11183	1.7
173.13200	2.0
177.12642	2.2
181.12286	1.5
191.18004	1.3
193.69432	1.2
195.13751	2.6
202.14655	1.4
209.15311	1.3
215.17993	3.5
233.19044	3.1
251.20020	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	252.123
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
50.47633	0.7
56.96553	1.4
57.03423	1.7
59.04993	0.7
67.03014	0.8
69.43143	0.7
79.05460	0.9
80.50186	0.7
85.02896	31.2
88.93424	0.8
91.37109	0.8
103.05469	2.1
105.07024	100.0
122.09660	48.6
131.03410	1.1
145.57272	0.8
146.09631	3.4
188.10692	3.4
206.11754	29.4
245.85530	1.0
252.12294	8.9
253.02313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1383
Annotation	rheadan
Peak:m/z	Relative Intensity
56.96550	3.6
64.95885	0.5
65.03928	2.3
81.07076	0.5
84.04453	0.6
91.05470	100.0
97.99155	1.3
98.98457	1.7
104.04973	1.0
127.95918	0.5
132.08067	0.9
133.23994	0.6
144.08054	1.6
160.06432	0.7
160.07503	3.5
166.07758	0.7
168.49892	0.6
181.10062	1.6
205.98694	0.9
252.13795	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	253.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	5.5
56.96566	4.9
57.07085	3.1
58.06605	3.0
60.04522	3.1
61.01151	3.5
61.50853	1.6
67.05498	2.6
69.03442	2.9
69.07061	17.2
70.02981	2.0
70.06594	8.7
72.08144	3.7
84.04530	3.1
84.08138	63.5
85.08488	3.3
86.09700	100.0
87.05610	1.9
87.10057	5.4
90.53220	1.8
91.05485	2.7
91.71224	2.0
97.02948	1.9
98.98468	10.2
104.05331	3.6
107.04963	2.0
110.07184	3.0
111.09216	2.1
112.07637	7.8
118.56068	1.8
120.08155	8.1
120.45545	1.7
121.05152	3.6
129.10234	30.6
137.06067	3.0
139.08739	3.8
146.09688	6.0
158.06731	2.3
159.51089	2.1
166.08586	11.5
175.08675	2.9
183.11154	2.2
184.10928	2.8
190.08704	2.6
192.10175	10.1
194.35652	2.0
209.09232	9.9
212.07822	4.5
218.08112	3.2
226.11960	5.3
235.10838	10.2
236.09354	7.0
243.14587	2.9
253.12175	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	253.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48038	2.7
56.07731	3.2
56.96550	8.4
57.06800	4.7
57.07065	54.7
57.22689	2.8
65.79477	3.0
67.05484	6.7
67.56911	3.1
69.03443	4.7
69.07048	4.7
71.04967	4.0
78.91630	3.1
81.03400	8.7
81.07049	4.3
82.22937	3.6
95.04953	17.4
96.87852	3.5
97.02887	38.7
97.72118	3.4
98.98463	15.1
99.04424	8.5
105.07018	5.1
109.10165	3.6
122.10235	3.7
123.04436	15.6
134.06017	3.8
137.09642	4.5
141.05446	51.6
151.11226	11.3
162.05530	5.4
163.06343	4.4
166.12709	4.0
179.10626	20.9
188.07100	5.5
197.11696	100.0
206.08017	4.5
253.17902	24.3
254.10239	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	253.1798
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
55.05494	3.6
56.96536	5.2
57.06799	5.5
57.07069	100.0
58.49809	2.6
67.05484	5.1
69.03426	4.5
69.07079	4.5
79.64854	3.2
79.72115	3.5
81.07048	4.3
83.08614	6.9
91.05473	6.2
95.04973	18.6
95.08633	8.2
98.98460	14.9
111.08097	3.6
113.06021	7.2
137.09579	3.6
140.17911	3.7
175.89717	3.2
179.10661	8.8
195.13705	3.9
197.11726	88.3
244.11490	3.6
253.17970	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	253.2162
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.05505	49.6
56.96550	12.0
57.07067	55.0
67.05493	31.2
69.07056	100.0
71.08620	20.9
73.06535	10.6
79.05472	14.7
81.07043	85.1
83.04959	7.4
83.08621	56.2
85.06554	12.3
85.10165	9.5
91.05496	11.0
93.07016	17.4
95.08598	95.3
97.06519	17.5
97.10157	27.1
98.98441	33.5
105.03385	19.2
105.07024	25.8
107.08578	30.4
109.06545	7.6
109.10179	40.5
111.08073	8.9
111.11729	20.4
112.21008	6.2
115.07562	17.1
119.08553	34.1
121.10152	19.7
123.08105	10.0
123.11697	25.5
125.09690	10.0
129.09160	7.4
133.10147	23.6
135.11707	12.5
137.09607	7.8
137.13295	23.1
139.11189	7.5
140.01093	8.3
141.09132	7.8
147.11699	21.1
151.11188	15.7
161.13239	32.8
165.12764	18.5
177.16510	7.7
179.14322	25.2
183.13745	11.0
193.19585	40.9
197.15341	14.4
217.19574	23.3
235.20537	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	254.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41507	31.5
53.61547	26.8
56.48043	27.2
71.03912	27.6
74.06091	33.0
81.03432	38.7
91.71677	51.5
104.85983	39.5
106.75525	30.9
112.62956	30.1
120.00261	30.6
123.05563	100.0
135.31360	30.9
164.07042	72.5
166.70700	32.8
254.07867	56.4
254.10332	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	9.7
62.52123	2.8
69.04180	3.6
69.37752	3.3
71.01341	12.9
75.04472	21.8
87.04476	9.6
91.71111	3.9
103.03960	25.2
131.03416	6.0
159.02881	68.0
159.04106	5.2
175.96556	4.1
187.02487	4.8
216.91544	4.4
219.04991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1018
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
55.05499	4.2
56.05022	1.9
57.03411	3.0
61.02921	3.8
62.31253	1.5
64.98212	1.5
65.03921	1.7
67.05489	4.2
68.04998	2.1
69.03400	5.2
70.06590	3.2
71.04981	4.1
72.08145	3.5
73.01137	2.7
74.00652	2.3
74.06049	4.6
79.05457	2.5
80.05004	8.3
80.27777	1.8
81.03407	54.6
82.06576	4.3
82.62330	1.9
83.04976	15.9
84.04485	1.8
84.08144	2.3
85.02890	1.8
87.04419	2.3
88.03976	3.0
91.05476	5.8
93.06979	2.0
94.06535	10.6
94.61004	1.7
95.04973	4.8
96.04516	2.5
97.02876	6.8
97.06522	2.0
98.06013	2.2
99.04459	2.0
100.24148	1.7
103.05489	3.7
106.06599	3.5
108.04474	12.4
108.08063	2.3
109.02866	4.4
110.06047	9.3
110.07197	2.1
111.04428	11.9
115.03923	2.5
115.05430	11.9
115.07574	1.8
118.06533	6.2
119.04936	2.3
120.01138	3.4
120.04434	2.7
120.08087	5.5
122.06008	10.9
122.09677	2.6
123.04478	2.0
126.09164	3.1
127.03936	3.2
129.92155	1.7
130.06500	2.1
131.04912	5.5
132.08102	5.3
133.05273	1.9
133.06450	2.6
134.06009	8.1
136.03995	2.0
136.07555	5.4
137.04985	1.8
137.05905	8.3
138.05505	5.3
138.09151	3.3
140.07059	2.9
143.04901	16.2
144.08092	2.8
145.06471	1.9
146.05997	11.5
147.04675	3.8
148.07605	9.8
149.05946	5.0
152.07021	3.6
159.85896	2.0
160.07565	9.2
161.05966	12.2
162.05525	7.3
162.09091	12.1
163.06245	6.8
164.07050	33.0
166.08653	4.0
172.07564	6.8
176.07022	11.6
176.10690	3.5
178.08627	20.5
180.10217	2.7
188.07008	16.3
188.36528	1.9
190.08612	8.6
191.06978	1.9
194.08173	6.8
200.07057	3.3
206.08102	14.9
208.09663	6.7
210.07455	1.8
212.09146	2.3
218.08124	13.7
219.06746	4.2
236.09177	19.6
236.12897	4.5
254.10242	100.0
254.13875	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	254.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
56.05022	8.2
56.96548	15.9
57.03427	3.4
60.52520	3.0
61.02892	3.6
63.01789	3.6
64.99108	2.7
66.95277	3.2
69.07042	10.8
70.06583	31.9
71.01346	52.6
71.04984	3.7
72.08143	15.5
75.04469	10.6
81.03418	11.2
83.04965	3.6
84.04478	5.5
84.08138	28.2
85.02852	4.1
86.09700	31.3
87.09992	8.0
91.05471	12.7
95.04929	5.4
96.04406	4.0
97.02830	3.9
97.61415	3.0
98.06046	14.1
101.02348	5.5
103.03938	22.6
103.05436	4.4
106.45454	3.5
113.02379	3.5
116.03455	3.9
117.01818	3.6
119.04945	9.7
120.08091	11.1
121.06491	13.8
123.04418	7.7
125.07116	10.6
127.03941	5.9
128.07088	7.4
129.10213	18.5
131.03404	44.7
133.05026	6.4
135.06787	9.7
137.05984	20.0
141.01675	4.3
143.03479	4.7
145.01355	6.2
145.04947	18.0
147.04411	5.1
148.07570	20.1
157.04929	24.4
159.02875	100.0
161.06020	4.1
162.05495	4.2
162.09090	4.7
164.07022	10.5
165.05447	7.1
166.08655	9.3
167.08865	4.2
167.11798	10.0
172.07584	3.7
173.06013	4.4
176.07098	13.2
184.10876	3.7
190.08621	5.3
191.05490	12.9
193.10641	4.5
194.08138	29.4
194.12868	6.4
195.11298	56.5
206.08116	12.9
208.09721	28.4
218.08115	22.3
219.05000	60.5
236.09244	25.6
237.05989	11.8
254.10280	37.6
254.16139	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	254.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95338	6.4
56.96548	6.6
66.31609	6.4
67.79203	5.1
69.74859	6.0
83.44025	5.2
91.05470	10.0
91.71236	24.0
93.07034	12.8
104.04982	7.9
106.06573	11.1
107.04955	11.2
108.08072	6.0
117.05765	7.4
118.06548	6.6
119.07318	24.3
121.06514	59.5
123.52603	5.7
132.08060	35.4
146.09633	11.3
148.97461	7.5
160.11182	9.7
226.12245	100.0
238.60606	10.7
246.65353	7.6
254.15462	50.4
272.57321	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	254.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21030	11.5
56.96547	17.1
68.29247	15.2
115.95114	16.2
123.05537	100.0
143.14459	14.7
255.06238	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.96537	2.2
57.03432	3.5
59.04997	0.7
60.05634	0.9
65.90772	0.6
69.03421	1.9
71.01346	0.9
72.22717	0.7
73.02888	2.5
74.51389	0.6
76.69396	0.7
78.03433	1.3
80.05001	3.4
85.02902	3.7
86.09708	0.8
91.04906	0.7
96.04435	1.4
97.02882	1.9
106.02911	6.5
106.22794	0.8
108.63915	0.7
115.03928	1.3
123.05542	100.0
133.04933	2.5
146.96454	0.7
153.39130	0.9
255.06155	1.3
260.62427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64668	0.3
55.01862	2.3
55.40407	0.3
56.96550	1.3
57.03426	3.3
59.04962	0.3
61.02912	0.9
62.96912	0.3
63.58549	0.2
69.03427	2.1
71.01326	0.9
73.02894	2.1
78.03428	1.0
80.05002	3.3
85.02885	3.5
96.04464	1.4
97.02870	1.4
103.03961	0.4
106.02907	7.8
110.07172	0.5
115.03959	1.7
123.05540	100.0
133.04930	2.2
145.04971	0.5
150.71010	0.4
268.75128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Isovaleroyloxylinalool
Peak:m/z	Relative Intensity
51.83526	2.8
55.05497	6.8
56.02883	2.9
56.96546	11.0
57.07070	34.7
66.51903	2.8
67.53132	2.9
69.07050	8.0
76.84901	3.2
79.05471	3.6
81.07003	3.1
83.08617	19.3
83.32738	3.7
93.07027	9.9
95.08606	14.3
98.98443	3.8
107.08595	14.7
109.10142	15.1
115.73389	4.4
120.08089	7.7
120.17341	3.5
121.06507	6.3
121.10137	10.8
125.32745	3.8
135.11697	12.8
153.12747	6.1
181.12224	100.0
192.88953	4.4
237.18498	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	256.1331
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
51.55601	0.6
56.96527	1.0
57.07049	1.2
59.09943	0.6
65.03928	1.4
68.91766	0.8
70.06606	1.0
79.53084	0.7
86.09737	1.0
91.05470	100.0
105.07027	3.5
115.05433	3.8
120.08103	0.9
123.04416	8.7
129.06998	9.8
132.95770	1.1
137.05965	1.1
143.04913	4.4
143.68408	0.9
148.05191	1.0
150.96899	1.3
155.97375	1.6
161.05957	11.0
164.07069	2.8
164.93929	1.0
165.07007	1.6
178.07697	4.4
193.10114	3.8
196.37740	1.1
203.08536	2.1
214.98779	2.0
221.09602	3.3
239.10643	21.1
239.12965	1.7
256.13318	33.1
256.26440	1.0
276.31976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1331
Annotation	1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone
Peak:m/z	Relative Intensity
52.85730	1.2
54.16443	1.3
54.37028	1.3
56.96551	2.5
57.07051	2.7
60.96705	1.4
61.59754	1.2
64.53339	1.3
67.02834	1.5
70.25911	1.4
79.05504	2.0
91.05473	13.4
92.05817	2.0
93.07041	16.8
94.07369	2.6
95.04953	6.6
103.05463	13.4
104.05787	5.7
104.51533	1.4
105.06972	1.6
106.06544	4.4
107.04941	38.7
107.07348	5.3
108.05289	4.3
115.05429	2.7
117.07000	7.9
118.06553	4.7
119.07351	7.3
120.08102	43.0
121.06496	100.0
121.08426	37.3
121.09328	2.3
122.06831	27.2
130.06531	3.5
132.08083	5.6
133.08798	3.3
143.07301	2.6
144.08080	47.7
150.96828	2.6
155.97458	2.8
162.09128	6.5
182.09555	1.8
195.35913	1.8
196.99974	3.2
210.09096	1.9
210.24268	1.6
214.12215	9.4
214.98734	6.0
215.12582	35.2
238.08702	4.8
238.12210	1.8
256.09473	2.8
256.10406	2.4
256.13309	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	256.2633
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.07052	8.2
66.16992	2.3
71.08599	3.6
72.04485	3.3
76.59354	2.4
87.21391	2.2
91.71647	5.2
102.09141	5.3
116.10708	7.7
165.19377	2.6
184.46469	2.5
256.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2999
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
56.96552	0.6
57.07075	9.2
57.92881	0.6
58.06580	2.7
60.08159	31.2
68.12703	0.7
71.08626	3.5
80.96310	0.6
83.64378	0.7
85.03757	0.5
85.10154	1.7
85.40693	0.6
86.43630	0.8
100.57347	0.6
101.37311	0.6
102.36897	0.6
144.02341	0.8
145.07286	0.6
163.23523	0.7
192.60583	0.8
217.49066	0.7
225.81026	0.7
252.60703	0.9
256.29968	100.0
264.75369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
53.79921	1.9
55.01871	2.2
55.94359	2.3
70.37595	2.2
75.81667	2.4
85.91372	2.5
137.70988	2.9
141.06999	4.0
152.06149	3.3
153.07039	10.0
155.08560	8.5
165.06979	40.0
166.08054	2.8
167.08591	5.5
177.07059	2.9
183.04407	3.1
183.08002	17.8
193.06543	9.0
195.08032	10.3
211.07545	33.9
213.09070	8.1
222.96649	3.1
239.07013	100.0
257.08093	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	257.0808
Annotation	2',3,4-Trihydroxychalcone
Peak:m/z	Relative Intensity
56.96567	2.6
67.05510	2.0
70.06601	1.6
72.69521	1.4
76.39668	1.3
76.57074	1.4
78.96545	1.2
79.05482	2.5
80.42921	1.1
83.04971	1.5
86.09701	2.9
95.04987	5.2
102.97059	1.4
107.04946	67.7
119.05006	1.8
120.96603	1.3
121.00768	1.4
123.04410	1.9
130.86803	1.4
135.04408	58.6
151.03966	4.1
162.03435	1.7
163.03888	100.0
165.07033	1.9
177.01569	1.4
183.08031	2.1
197.06148	1.7
197.91014	1.7
229.08652	1.8
239.07132	5.5
247.99457	1.7
256.13974	1.7
257.08035	27.1
257.12152	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	257.0808
Annotation	Thespesenone
Peak:m/z	Relative Intensity
56.05045	5.6
56.96568	10.7
61.98371	5.4
68.99802	17.0
70.06613	27.1
72.08175	22.9
72.59196	6.0
81.03405	5.6
83.06107	12.2
84.04515	12.6
84.08164	16.1
86.09692	6.0
89.93285	6.0
91.05493	11.1
91.32412	5.7
110.07143	9.8
119.05003	14.2
123.04497	21.4
127.47308	6.1
136.07674	9.7
145.06442	8.2
147.04471	31.1
155.05042	6.5
156.07729	10.2
165.07053	12.9
173.05965	100.0
193.06595	14.2
211.07632	21.0
226.26830	7.4
239.07109	10.6
257.08060	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07228	4.7
54.91930	5.0
60.05631	11.8
62.04330	4.6
70.06575	100.0
76.45754	4.8
83.14635	5.3
84.83495	4.5
97.07645	24.6
108.96740	5.2
118.04578	7.4
141.06125	7.4
155.06659	5.7
162.50053	5.8
169.09319	7.4
171.10878	15.9
173.07680	12.5
187.37384	5.8
189.11932	11.9
194.12555	8.7
196.04279	6.1
196.09290	8.3
197.07680	75.7
198.05995	9.4
210.11865	8.8
212.13493	26.2
215.08679	38.6
238.10164	98.7
239.09933	65.0
253.81908	5.7
257.10989	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	257.1132
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
53.03919	1.4
55.01860	1.8
55.56866	1.3
56.05021	4.8
56.96547	4.4
57.03417	4.0
60.17100	1.1
60.17465	1.5
61.02925	2.7
62.57619	1.2
65.03922	4.4
67.04227	1.5
67.05493	15.6
68.05045	1.8
69.03423	4.5
70.06567	5.3
71.04980	1.6
73.02898	2.0
80.05003	6.8
81.03393	6.3
82.06570	17.8
83.04974	6.5
84.04494	77.6
84.08127	5.9
85.02869	3.8
86.09692	2.5
87.04436	1.7
91.05487	2.1
93.03391	5.5
93.07059	1.5
95.04942	3.4
97.02908	2.9
99.04463	2.2
108.04478	22.5
109.06493	1.6
110.06033	100.0
111.04419	4.2
116.07094	2.7
116.98604	2.6
121.06495	2.8
122.06046	2.9
125.06229	2.2
125.07108	13.1
127.03957	2.5
129.10188	3.4
130.05006	17.0
136.58398	1.5
148.07559	2.5
149.02333	2.6
151.07552	1.9
159.95491	1.4
176.06999	2.8
179.07060	2.5
193.09828	1.7
202.86945	1.6
219.01512	1.6
222.07584	15.6
239.10316	12.5
240.08644	7.5
256.12082	1.6
256.15601	1.6
257.11313	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	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
60.46104	0.4
60.62664	0.5
84.08119	1.0
85.07609	0.5
91.19415	0.4
96.09901	0.5
105.47650	0.5
139.35065	0.5
141.05753	0.5
173.05966	0.9
188.07149	0.8
200.57526	0.5
216.10287	0.8
229.09711	17.9
242.10646	0.8
257.12833	100.0
258.13116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.136
Annotation	Decarbamoylsaxitoxin
Peak:m/z	Relative Intensity
53.30437	1.9
53.87378	2.5
54.10591	1.9
54.53201	1.9
56.96537	5.1
63.70645	2.8
64.82742	2.1
67.09492	2.3
70.06568	4.7
72.08120	3.7
81.92846	2.7
81.93431	3.0
86.09688	7.7
162.03360	4.2
210.89091	2.9
226.00220	3.2
257.13553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.31127	5.4
59.07956	4.5
67.05485	12.1
67.81798	5.0
71.04969	8.8
72.23474	5.8
79.05437	6.1
80.74017	4.8
81.07036	8.5
86.81727	5.7
91.05475	20.9
93.07009	30.8
95.08603	14.1
105.07016	38.3
107.08586	23.5
109.10155	12.1
114.58765	6.0
119.08599	29.4
121.10143	100.0
123.08092	9.0
129.07013	5.6
131.08568	15.4
133.10103	12.5
135.08029	33.7
137.09610	9.7
139.01819	8.7
143.08583	13.3
144.02364	14.5
145.10164	10.7
147.11646	9.6
157.10121	14.3
159.11713	11.8
162.03438	10.7
163.11151	7.6
169.10129	13.5
173.13289	18.4
197.13144	6.8
199.14803	28.9
211.64037	6.4
211.87558	6.9
213.16525	8.4
216.12404	11.5
239.18059	8.2
257.19019	77.0
257.26669	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.79994	2.5
55.05488	4.3
61.00247	2.9
63.36163	3.0
67.05489	12.2
69.07053	6.7
71.05001	5.5
71.17811	3.3
79.05486	11.9
81.07035	11.1
83.08633	4.8
84.53995	3.5
91.05466	11.4
93.07030	23.8
95.04978	10.2
95.08588	17.4
97.06521	5.9
101.97504	3.6
105.07022	32.1
107.08591	23.9
109.06520	12.2
109.10143	13.4
111.08074	4.9
115.05404	3.7
117.07039	7.0
119.08548	25.0
121.10131	100.0
127.25630	3.3
131.08560	13.5
133.10100	13.0
135.08012	26.4
135.11717	4.7
137.09627	7.7
142.07805	6.7
143.08594	14.6
144.08020	3.6
145.10138	15.4
147.11685	6.1
149.09593	5.1
157.10097	25.0
159.11707	18.5
169.10080	12.0
171.11662	7.3
173.13232	17.1
183.11734	12.4
197.13254	9.0
199.14778	31.2
201.12785	7.0
213.16385	10.9
215.18057	5.7
239.17967	12.0
257.18970	91.8
257.21573	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	258.1099
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
60.08152	9.9
62.41908	0.8
67.31676	1.0
70.06555	1.4
71.07347	2.9
86.09695	21.7
93.33543	0.9
94.74506	0.9
96.38626	0.9
98.98451	2.9
104.10732	100.0
107.14037	0.8
124.99988	19.8
125.33858	1.0
140.10770	1.8
184.07367	7.7
187.73251	1.0
230.13939	3.3
258.10947	13.9
258.13361	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	258.1125
Annotation	Tolmetin
Peak:m/z	Relative Intensity
50.93702	1.1
51.11789	1.4
56.96548	2.2
61.43883	1.3
91.05474	6.8
95.04978	2.6
97.23458	1.5
105.12704	1.5
106.06570	1.8
107.04946	43.8
117.05716	1.8
118.06533	60.2
119.05020	2.0
134.06009	6.2
146.05998	100.0
152.60036	1.6
194.09538	1.9
212.10698	5.5
222.09117	3.4
240.10181	58.4
240.12541	3.4
272.64609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1125
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
50.63046	2.5
53.78926	2.9
56.02815	2.5
71.07502	2.5
91.05495	10.5
95.75318	3.1
104.52872	3.0
107.04951	39.4
118.06538	54.8
118.07303	4.7
124.66388	3.6
134.06078	6.2
142.32314	3.5
143.43623	2.9
146.05998	100.0
179.05185	2.9
197.91219	3.6
240.10136	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1489
Annotation	Isoelaeocarpine
Peak:m/z	Relative Intensity
55.05473	5.5
56.05038	4.4
56.96556	7.3
59.56890	5.2
66.74480	5.0
68.50676	4.8
69.07069	9.5
70.06596	7.1
72.08147	6.0
73.80666	5.0
79.05489	9.6
79.67975	5.0
81.03421	6.0
83.04967	6.1
84.04501	5.9
84.99899	5.3
85.02894	9.3
86.06058	5.5
86.09711	10.4
91.05492	17.2
93.07036	13.8
95.04954	9.6
97.02887	10.6
103.05444	14.8
104.10722	28.4
106.06558	12.6
107.04935	51.2
117.05743	6.7
118.06538	16.9
119.02016	5.7
120.06009	5.1
120.08099	25.1
121.06511	88.6
122.03691	5.6
122.76871	5.7
125.00004	6.5
131.07274	7.0
132.08128	13.7
133.08873	36.5
139.32611	6.4
146.06026	9.7
146.09625	38.7
148.47308	7.3
164.10732	15.9
165.05002	7.6
171.06287	11.2
210.58623	6.0
240.13872	46.8
258.14938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.5
56.96544	2.0
63.17014	0.9
63.71852	1.0
64.03674	0.9
69.03403	1.3
70.06581	29.3
72.08144	100.0
74.15164	1.2
84.04505	2.7
84.08118	8.6
85.02884	2.6
86.09706	1.4
87.29976	1.0
88.07623	1.8
97.02888	1.3
98.62469	1.0
103.97888	1.1
104.10719	2.1
110.09669	15.3
112.05099	2.3
116.07087	6.7
126.06627	4.1
127.12302	2.9
140.07066	2.0
141.10184	2.0
142.05017	1.2
144.06674	1.9
170.08005	1.3
172.09666	22.6
175.72604	1.1
183.04285	1.2
189.12404	2.2
215.14046	1.2
241.15433	5.3
258.18076	16.0
259.04233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76877	1.0
57.07064	6.3
58.24764	1.0
70.06548	1.7
70.76692	0.9
71.08616	2.7
72.07749	1.6
72.08144	31.4
80.58482	1.0
90.09184	25.0
93.07047	1.1
116.58461	1.0
171.23369	1.1
183.39052	1.1
214.25436	1.1
258.27887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17848	0.8
54.37759	0.8
57.06810	1.4
57.07068	17.3
58.06579	4.3
62.06082	10.3
68.83853	0.9
71.08630	8.7
72.47295	0.9
76.88290	0.9
81.04445	0.9
81.21502	0.9
85.10140	3.3
86.16280	1.0
106.07018	1.0
112.44239	1.0
112.50034	1.0
121.06479	1.0
129.24854	1.0
240.26782	5.7
258.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93302	1.8
65.59573	1.8
66.64317	2.0
67.04234	2.7
70.06602	9.3
72.08159	9.9
74.00679	7.1
74.99684	2.3
76.47160	2.2
84.04507	7.1
84.08135	27.4
85.08494	3.9
86.09705	6.2
97.31348	2.9
100.02199	100.0
111.12910	2.4
112.66235	2.3
120.25626	2.3
120.64607	2.0
129.06606	3.6
129.09329	2.8
129.10280	10.4
130.10661	3.9
131.73160	2.5
142.21530	2.2
146.02696	87.6
147.51302	2.5
199.02203	7.8
213.06841	13.4
241.03253	4.9
257.20538	2.8
259.04352	53.1
259.07513	22.5
259.13116	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34391	4.3
51.86356	3.7
58.77698	3.5
71.58782	4.3
73.50467	4.2
91.71585	5.0
91.76756	4.8
161.01790	5.3
218.17212	5.7
254.83411	5.5
259.04236	100.0
263.19177	5.1
276.64911	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63629	0.9
56.96551	1.5
67.04230	1.9
67.05468	1.3
68.83104	1.0
70.06578	2.9
72.08141	2.3
73.01141	1.7
74.00657	8.0
75.46464	1.1
84.04495	4.5
84.08148	10.6
85.08470	2.8
86.09727	2.0
100.02197	100.0
107.04955	1.2
118.03242	4.0
129.06627	2.8
129.10242	6.7
130.10608	2.2
131.01910	1.9
131.65688	1.1
146.02701	89.2
147.17615	1.3
149.05211	1.4
199.02208	1.6
213.06905	14.9
259.04269	17.2
259.07495	22.9
259.12964	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43453	2.3
56.96549	6.3
58.62866	2.1
86.09698	100.0
107.04951	4.0
107.43318	2.4
107.52773	2.6
146.11755	25.0
150.60654	2.4
164.31581	2.5
199.17831	3.1
204.21896	2.7
218.97766	3.8
259.20132	4.6
273.84225	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05495	14.7
63.67670	8.3
67.05501	15.2
69.07065	58.2
69.25233	6.9
71.04976	40.9
79.05460	10.3
81.07032	27.4
83.08624	12.1
85.06537	21.4
91.05476	14.8
93.07021	21.9
95.08603	18.5
97.06532	10.7
105.07026	37.7
107.08586	29.8
109.10117	11.5
111.08091	30.8
119.08555	66.7
121.10152	20.3
123.11704	25.8
130.54030	7.3
131.08572	23.9
133.10135	25.1
135.08060	26.5
143.08620	11.4
145.10132	38.5
147.11681	29.8
157.10118	19.8
159.11668	44.4
161.13202	56.7
171.11751	15.5
175.14810	100.0
185.13257	17.9
201.16409	30.3
241.19508	17.1
259.20544	68.5
272.21484	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05488	17.8
67.38107	10.9
69.07048	43.5
71.04971	33.9
81.07020	20.9
83.04931	12.3
83.08639	16.1
84.07314	13.7
85.06537	16.8
91.05476	17.3
91.71108	12.2
93.07058	14.8
93.21472	12.2
95.08583	21.5
105.07029	30.7
107.08587	20.8
119.08568	54.3
123.11662	23.9
133.10123	46.0
133.11108	16.0
135.08029	17.3
145.10088	36.8
151.20474	17.2
152.65042	12.2
152.70833	13.9
159.11710	28.7
161.13188	36.6
174.91885	15.8
175.14790	100.0
185.13409	20.7
201.16389	26.9
226.30244	14.9
259.20557	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	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
54.09458	3.0
55.05512	15.6
59.22298	3.7
59.45829	3.3
67.05511	15.7
69.07058	50.0
71.04981	35.9
76.20499	4.4
79.05489	10.6
81.07035	34.5
83.04996	7.0
83.08619	11.0
85.06533	30.5
89.46229	4.7
91.05484	22.6
93.06577	4.9
93.07024	27.1
95.04992	10.4
95.08599	27.0
97.06569	5.4
105.07021	42.9
107.08582	30.3
109.06542	12.6
109.10184	19.6
111.08069	22.7
117.07040	11.3
119.08579	78.8
119.09365	6.5
121.10191	16.9
123.10980	5.7
123.11658	25.7
128.06279	7.8
131.08615	14.3
133.10123	43.3
135.08107	20.0
135.11778	4.8
142.07777	5.9
143.08595	8.6
145.10081	38.3
147.11752	20.6
157.10202	8.9
158.50961	5.1
159.11659	37.5
161.13234	45.1
171.11734	14.2
173.13281	11.1
175.14810	100.0
177.12717	5.6
177.16492	5.2
185.13304	12.9
189.12816	4.9
189.16461	5.3
201.16380	25.9
203.14362	10.4
238.34715	5.0
241.19678	14.5
259.20544	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.95252	4.5
52.35592	4.8
55.01861	5.7
55.05498	20.3
55.33199	5.9
56.96547	11.7
61.83398	4.5
66.82310	4.8
67.05501	72.7
68.60126	4.8
69.07056	20.9
71.92894	4.2
79.05479	44.2
81.07050	66.9
83.08607	8.5
91.05477	76.6
91.28602	4.8
93.07043	47.5
95.04980	10.7
95.08599	53.8
98.06306	4.8
105.07014	62.8
107.04945	13.4
107.08591	24.9
109.06504	7.7
109.10156	14.9
111.01138	4.9
115.05495	6.7
117.07024	24.3
117.89376	5.6
119.08546	37.2
121.10140	21.3
123.08044	5.6
129.07045	14.1
131.08539	21.2
133.10118	61.0
135.11690	12.7
143.08583	10.9
145.10124	14.1
147.11676	17.9
149.09656	7.2
157.10156	10.3
159.11682	15.4
161.13242	14.9
171.11673	17.6
185.13133	6.3
199.14859	8.3
218.97548	7.6
241.19508	19.0
259.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
55.05471	43.0
56.96549	47.5
67.05495	34.1
79.05474	62.5
81.07027	32.4
91.05465	91.0
95.08585	57.9
103.34647	28.9
105.07045	82.1
109.10146	49.4
119.08540	60.4
133.10152	64.9
170.55421	37.1
173.01167	41.9
218.97577	50.4
221.48935	37.3
236.98822	40.9
258.28113	41.9
259.20615	100.0
274.62122	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78531	2.0
56.04811	1.8
56.05037	17.4
56.96565	34.4
57.06823	2.0
57.07071	16.0
71.08629	3.0
74.06069	41.1
85.10141	2.8
88.07621	87.4
91.05419	2.6
97.99153	2.7
102.05534	5.2
107.04945	3.6
120.05267	2.8
120.06557	6.4
122.60629	2.7
130.78978	2.6
147.04411	3.0
154.93140	2.9
162.53305	2.5
172.94292	11.5
177.94749	3.6
190.95357	11.5
195.95813	15.2
213.96901	19.1
214.21635	38.4
218.97331	26.4
219.97386	2.7
236.98393	15.1
242.21060	7.4
260.00113	30.0
260.22180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55854	0.8
55.64643	1.2
56.96553	6.8
57.06841	1.0
57.07068	11.7
70.06582	19.3
71.08617	2.3
75.92149	1.0
77.36298	0.9
86.03734	1.2
88.07626	19.7
91.70996	2.4
95.44169	1.1
102.09173	5.5
105.69807	1.0
106.08651	10.9
116.26620	1.2
134.20370	1.1
148.41827	1.2
154.93123	1.5
172.94266	2.6
190.95268	3.7
195.95877	4.6
213.96909	4.4
218.97539	3.8
222.09300	1.3
236.98604	3.4
242.24808	6.7
260.00177	3.1
260.25821	100.0
278.78442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.8
57.07047	0.6
60.57762	0.4
61.88222	0.4
67.05489	0.8
70.06572	1.3
72.08131	0.5
79.05473	0.5
81.07053	0.5
86.09676	0.9
91.05452	1.2
93.06938	0.6
95.04951	0.5
107.04938	5.9
107.11928	0.5
114.77435	0.4
119.04941	0.8
120.08073	0.7
137.05956	2.6
147.04442	0.7
149.04697	1.4
162.05530	0.5
164.07047	100.0
165.07387	0.6
261.12592	2.1
266.92920	0.5
267.30307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	8.5
58.62690	2.7
70.06579	8.8
72.08138	9.0
81.62228	3.7
84.04503	13.8
84.08133	10.2
86.09700	32.7
91.05446	6.7
92.40034	3.7
115.19654	3.2
116.16792	3.4
120.08160	6.5
129.10291	4.6
132.10252	4.9
135.90788	3.4
137.05928	5.2
156.00526	4.0
158.81313	3.4
198.32304	4.5
225.85944	4.4
244.71701	4.2
261.13034	100.0
261.15784	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	261.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.9
56.96552	22.5
57.07064	9.4
59.32468	9.1
71.46057	10.2
73.75018	9.1
84.04498	100.0
84.08125	14.0
86.09708	14.6
95.59876	10.6
97.10163	17.7
98.97585	17.4
109.02876	10.2
114.12791	90.3
130.04980	15.0
132.13834	69.5
142.04994	11.4
178.94507	11.2
214.03926	12.6
226.14444	13.8
242.03400	15.9
244.15556	18.4
261.09549	13.9
261.13028	15.7
261.18134	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	17.3
57.07072	4.3
65.03944	3.8
67.05495	52.8
69.07048	16.9
69.62695	3.1
79.05489	44.8
81.07045	54.3
83.08612	6.8
85.06559	3.8
91.05480	33.7
93.07032	72.8
93.07566	6.3
95.04939	5.9
95.08595	46.4
97.06516	6.9
99.08057	3.5
105.07018	23.7
107.08583	55.4
109.10132	18.2
111.08091	3.7
117.07027	6.4
119.08576	19.1
121.10131	46.4
123.11669	5.7
131.08571	16.0
133.10127	9.6
135.11674	38.1
137.09621	4.6
141.77870	3.5
145.10139	13.3
147.11691	12.7
149.13277	28.8
153.12962	3.8
159.11703	9.0
161.13268	12.7
163.14790	30.7
173.13248	11.9
175.14790	5.1
176.71513	4.0
177.16423	5.7
187.14711	7.3
197.60457	3.7
201.16309	5.2
216.13593	4.4
243.21071	41.2
261.22083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05490	12.6
57.07079	6.4
67.05495	58.2
69.07063	13.6
71.04950	4.5
72.34027	3.3
79.05477	43.7
81.07049	62.3
83.08604	6.0
86.39823	3.6
91.05476	29.3
93.06477	7.3
93.07037	88.3
95.04954	8.0
95.08593	44.1
97.06512	4.3
97.10155	6.5
99.08073	4.2
105.07023	22.6
107.08595	50.2
109.06503	5.9
109.10161	19.9
111.08067	5.8
117.07043	6.7
119.08574	14.2
121.10129	44.1
123.11674	6.7
125.23042	3.4
131.08586	20.2
133.10101	16.1
135.11700	31.3
139.01108	3.5
145.10126	13.1
145.35339	3.7
147.11705	13.7
149.13231	25.9
159.11732	11.4
161.13254	15.9
163.14810	28.4
165.12779	3.8
173.13286	11.5
174.39896	3.3
175.14725	5.6
177.16393	10.5
184.35509	4.0
185.47336	4.3
187.14873	8.0
187.89847	3.4
201.16292	4.6
215.18066	4.1
220.09676	4.3
243.21045	46.6
261.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.31718	3.6
54.08282	2.8
54.76434	3.3
55.05499	12.3
57.07069	7.9
58.96727	2.9
64.41926	3.3
65.67934	3.0
67.05498	48.9
69.07049	11.5
71.68116	3.6
79.05482	43.1
81.07047	56.4
83.08612	10.0
85.06528	6.4
91.05486	25.2
93.07034	73.4
95.04964	3.7
95.08604	40.4
97.06528	4.6
97.10183	4.5
105.07037	22.9
107.08585	46.3
109.10136	19.1
117.07037	4.5
119.08573	14.2
121.10135	50.6
123.11707	4.4
125.96798	4.0
131.08545	14.2
133.10135	15.3
135.11694	31.1
145.10141	18.6
147.11703	13.4
149.13248	29.8
159.11726	7.4
161.13234	14.3
163.14806	27.9
173.13277	11.0
177.16301	7.5
187.14804	8.4
201.77669	3.3
205.14137	10.3
215.18011	4.6
236.90948	4.1
243.21060	44.4
244.61374	4.1
261.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71317	8.4
55.05489	32.6
56.96555	12.8
62.88916	9.0
63.27793	10.5
67.05495	76.2
69.07070	10.5
79.05490	56.7
81.07041	62.0
91.05463	39.5
93.07030	77.2
95.08607	48.2
103.32095	10.9
105.06992	27.9
107.08606	33.4
109.10144	21.1
117.45099	13.5
119.08577	14.2
121.10146	57.5
131.08589	24.7
133.10153	17.4
135.11668	31.0
145.10182	25.1
147.11681	17.6
149.13245	41.2
163.14815	20.0
173.13306	13.6
176.78549	13.0
177.16379	17.7
243.21086	47.7
261.22037	100.0
271.42068	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	261.2577
Annotation	3Z,6Z,9Z,18-Nonadecatetraene
Peak:m/z	Relative Intensity
54.89050	3.3
55.05499	10.4
57.07060	11.8
59.95943	3.4
67.05490	18.0
69.07066	21.1
69.45722	3.2
69.76071	3.4
71.08615	5.9
77.69242	3.5
79.05478	9.3
80.10889	3.9
81.07045	100.0
82.31314	3.5
83.08610	14.0
88.69456	3.2
91.05466	6.7
93.07037	27.6
95.08598	50.0
97.10139	4.4
107.08585	26.1
109.10149	42.0
111.60700	3.9
121.10152	17.7
123.11686	13.2
135.11713	17.6
137.13235	7.1
142.88838	4.0
149.13261	36.2
164.77158	4.3
220.09782	8.0
261.25723	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	262.1073
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
54.31480	3.1
56.96552	8.7
61.55842	3.3
65.03940	6.7
68.05015	8.1
69.03427	8.7
70.06577	5.5
73.02911	4.1
80.04623	3.4
80.05005	23.6
81.03407	9.0
81.07066	4.7
82.06567	5.2
83.04979	8.1
84.04475	9.0
84.08102	4.7
85.02884	6.9
91.05464	46.5
94.04178	6.1
94.06551	11.5
95.04952	16.8
97.02875	8.0
98.97584	6.7
99.04443	6.6
103.05459	10.7
105.64151	3.7
106.06552	8.1
107.04955	5.4
109.06493	6.0
111.04434	8.6
119.04955	18.8
123.04423	18.3
130.62230	3.4
131.04910	13.9
135.04402	6.3
137.05975	85.8
143.01894	7.3
149.05968	7.2
161.03044	4.3
162.05507	23.4
175.15610	4.0
183.06676	4.3
184.04471	8.9
188.07109	5.1
196.04639	4.5
198.09102	6.5
200.07108	4.2
201.07762	4.5
208.04459	4.1
214.08665	6.2
216.10188	55.0
234.11235	8.8
244.09659	100.0
244.11826	5.6
262.10620	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	262.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	3.1
55.05489	3.4
56.96557	9.3
57.03413	4.2
62.46924	3.6
65.03937	8.0
66.13503	3.7
68.05022	3.8
70.06581	5.6
80.05009	22.0
82.06566	6.4
83.04992	5.3
84.04535	4.9
84.10868	3.6
85.02909	5.6
86.09703	4.8
90.84406	4.1
91.05469	51.8
94.06548	11.3
95.04976	9.0
97.02881	8.9
98.97593	7.2
103.05471	8.3
105.14442	4.3
108.04459	4.6
111.04407	5.4
119.04939	18.0
121.06538	6.1
123.04438	15.9
124.07643	4.2
125.02348	5.0
127.03856	4.2
131.04939	13.0
134.06015	4.4
137.05975	98.9
137.06953	7.9
149.05986	4.4
153.06995	5.3
161.02922	4.7
162.05533	13.7
165.45732	4.8
170.09616	6.8
172.07649	4.7
188.07077	8.0
198.09164	8.1
198.30684	4.1
200.07095	7.3
204.10280	6.6
216.10179	51.5
227.07144	5.2
233.03038	5.2
244.09674	100.0
244.11832	8.0
262.10587	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	262.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38564	1.6
55.05492	3.1
56.05018	3.9
56.96557	4.4
57.03412	1.7
60.59379	1.5
61.48587	1.6
67.05176	1.7
67.05491	11.0
69.07051	5.9
69.72191	1.5
70.06572	3.4
71.20425	1.7
72.08138	1.9
79.05491	3.1
81.07042	9.7
84.04507	2.5
91.05472	8.4
93.07030	6.9
95.04938	3.0
95.08593	6.7
97.02974	2.2
104.99239	2.1
107.08596	5.2
109.10177	2.2
119.04878	2.9
121.06453	1.6
137.06013	6.6
154.15921	15.5
162.05479	4.8
170.15387	100.0
177.38602	2.0
200.16495	2.6
216.10229	5.3
216.15930	94.4
244.09731	6.9
262.10675	8.6
262.13538	3.4
262.16434	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
51.37191	0.4
57.02254	1.7
57.07069	7.5
58.06588	2.4
68.00388	0.4
69.35443	0.4
70.06581	24.0
71.08298	0.5
71.08627	5.8
72.08118	0.5
84.54215	0.4
86.09666	0.5
88.07620	33.6
102.09174	20.5
104.91019	0.6
108.80890	0.4
132.10207	0.9
146.11729	0.9
155.20300	0.6
156.17442	2.0
194.89917	0.5
200.20078	57.6
244.22668	4.3
262.23743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
50.92073	0.5
52.89107	0.6
56.05027	14.0
56.44937	0.5
56.96561	1.2
57.07070	8.6
58.06591	8.9
58.62220	0.6
59.10228	0.8
60.04507	2.8
62.06701	0.5
63.75031	0.6
65.86642	0.7
71.08616	2.4
74.06072	13.8
75.69350	0.5
79.92656	0.6
80.28171	0.6
85.10161	1.7
86.06072	1.4
88.07619	44.6
90.48689	0.8
104.07096	1.4
104.99246	1.1
118.08651	6.6
121.25583	0.7
122.08137	7.8
130.30794	1.0
139.75209	0.7
195.48134	0.8
214.21634	47.3
225.46185	0.8
244.22682	2.0
262.23737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03768	0.7
55.05523	0.7
57.07065	8.1
67.33441	0.8
70.06583	22.8
71.08617	4.0
72.37615	0.9
84.08128	1.2
84.29995	0.9
88.07620	17.6
91.71581	1.2
98.97601	1.0
100.79275	0.9
102.09150	1.5
102.98189	0.9
103.28418	1.1
104.99271	1.6
106.08652	2.2
114.09157	6.5
118.08658	3.5
132.10199	24.3
150.11250	20.9
156.14772	1.0
186.18422	1.9
200.20026	1.3
218.21109	6.4
262.23740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28172	4.3
54.38791	3.7
56.96545	8.1
58.50796	4.3
61.35027	4.4
67.05465	5.8
73.02969	4.4
91.05444	6.1
93.28646	4.3
97.02872	9.2
101.00885	11.4
103.95619	4.6
104.99272	18.9
119.01919	27.3
124.02452	9.2
131.01901	10.9
142.03493	27.8
143.01889	31.3
147.15524	4.6
149.03055	5.0
154.03516	12.2
155.01909	12.3
161.02945	40.4
165.05103	13.3
173.02872	12.8
184.04555	100.0
184.06133	9.8
196.04544	25.6
203.04016	11.8
214.05598	20.7
222.00618	9.3
233.05098	5.4
241.85477	5.7
263.03540	7.8
263.06149	23.5
263.10168	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06787	2.4
76.56222	2.7
98.10120	2.9
100.61946	2.9
101.00881	9.1
112.89627	4.7
119.01908	31.6
124.02481	11.3
131.01878	16.9
137.02965	3.7
142.03511	22.4
143.01854	27.0
154.03493	11.3
155.01949	7.8
157.03456	4.5
160.04550	4.1
161.02954	38.7
165.05148	14.2
173.02890	15.8
177.05173	7.4
184.04538	100.0
185.02931	4.3
191.04037	8.1
196.04526	27.6
203.04019	13.2
208.04521	4.7
214.05573	20.8
225.07228	3.4
226.05637	5.9
233.40216	3.0
240.65588	3.0
244.06593	6.1
247.92830	2.9
263.06058	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52925	0.6
56.00655	0.7
56.76768	0.7
56.96538	1.7
69.52957	0.9
73.99841	0.8
80.58610	0.9
81.00900	0.9
86.06048	0.9
108.35944	0.8
115.02162	10.9
133.09706	1.1
147.06792	1.1
147.07898	5.6
149.08238	3.5
173.08180	2.3
191.05125	2.5
199.09799	6.1
222.06902	3.0
231.06993	2.8
232.07759	16.0
233.08577	1.5
242.46175	1.1
245.08548	1.6
263.09595	100.0
284.72940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
57.12614	2.6
66.14046	3.1
70.06585	49.0
75.98289	2.4
80.05130	3.1
84.08143	9.3
91.05492	2.8
99.98044	3.2
103.05463	8.0
107.04958	6.0
116.07083	84.9
116.07854	4.7
120.08096	100.0
122.92977	3.5
122.94511	3.2
130.06537	8.5
148.07561	4.3
157.07640	17.3
158.06001	5.3
165.07214	3.8
165.76363	3.1
175.08708	9.9
184.04538	6.4
215.64568	3.8
248.51762	3.1
263.13846	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3-Methoxy-14-calamenoic acid
Peak:m/z	Relative Intensity
52.25734	2.9
55.01868	12.8
55.05485	3.9
56.81715	3.7
57.96146	3.2
67.05489	7.1
69.03423	3.9
71.04970	5.7
81.07056	7.2
89.27035	4.1
91.05468	38.6
93.07040	10.7
95.04977	4.5
95.08606	7.7
104.99297	13.4
105.07013	46.9
107.08577	7.8
108.85094	3.7
117.07036	14.9
119.08571	41.7
121.06570	3.7
128.06189	8.2
129.07022	21.1
131.08611	12.5
133.06548	9.0
133.10138	12.1
134.28409	4.2
135.08029	7.5
143.08559	13.5
145.06517	11.9
145.10165	8.1
147.08038	85.5
150.73695	4.2
159.08000	5.7
160.84001	5.7
161.09601	54.4
175.11136	5.2
185.13329	5.8
189.09045	19.7
199.14972	5.5
203.14355	11.5
207.10175	9.8
217.15903	9.4
238.94872	4.2
263.16354	100.0
282.07874	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24511	10.0
53.68114	8.5
55.05514	12.7
56.56986	8.2
56.96577	11.5
60.00093	9.7
61.04851	8.6
68.37604	9.1
81.07058	31.9
83.04989	22.2
85.06528	12.1
91.05500	20.0
93.07044	16.4
95.08640	13.9
98.97612	19.0
104.99267	100.0
105.07055	41.4
107.08602	18.8
109.06551	11.7
114.26643	11.0
119.08627	36.4
121.10221	12.1
133.10175	39.9
135.11673	11.9
137.09628	61.8
139.55795	12.2
140.00218	17.6
158.01260	18.6
161.03070	12.2
161.09633	25.4
181.02904	31.4
184.04637	16.9
203.14290	20.9
222.00565	50.0
223.03859	12.5
240.01819	13.6
245.15456	15.1
263.03622	15.3
263.16556	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
54.56655	2.6
55.05508	11.6
57.07075	11.1
58.28386	2.6
60.17411	3.3
63.68319	2.6
66.51962	2.9
67.05492	92.8
67.05821	6.2
68.17767	2.9
69.07066	19.6
71.08622	4.2
79.05487	17.4
81.07044	100.0
83.08617	15.0
83.79062	3.0
91.05504	15.6
93.07016	19.4
95.08594	84.9
97.06543	6.2
97.10213	3.2
104.99279	5.5
105.07056	12.3
107.08628	11.2
109.10137	35.4
119.08598	12.0
121.10202	14.4
123.11697	16.1
133.10167	11.4
135.11716	6.7
137.13251	4.6
147.11702	7.4
149.13289	8.1
151.14835	4.2
161.13298	10.6
163.14876	4.0
165.16454	7.0
203.95517	3.4
206.46942	4.5
222.00607	5.6
245.22626	23.7
263.23657	51.5
264.64435	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	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	6.1
55.05494	15.5
56.70369	4.3
56.96553	9.3
57.07057	9.7
67.05495	80.9
69.07062	15.1
72.24123	4.7
79.05494	11.5
81.06598	10.3
81.07046	100.0
81.91936	5.3
83.08627	14.8
91.05481	22.8
93.07028	30.7
94.41213	5.7
95.08592	72.7
97.06516	8.8
97.10162	9.8
105.07030	11.6
107.08615	14.3
109.10160	30.3
118.55083	5.6
119.08577	15.2
121.10130	15.5
123.11726	15.8
133.10149	9.6
147.11626	8.8
148.06508	6.1
161.13245	8.6
163.14789	7.5
215.09547	6.1
222.00583	8.8
245.22687	11.6
263.23718	48.0
268.74722	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.20945	7.3
55.05496	37.8
56.25313	7.3
57.07054	33.7
59.63522	7.0
64.31650	8.2
67.05492	18.6
68.62420	7.5
68.68460	10.1
69.07059	53.7
69.17737	7.8
71.08633	25.2
73.49134	10.8
79.05444	10.7
81.07048	46.8
83.04968	21.7
83.08623	46.6
86.40545	9.1
86.67764	8.7
91.05467	16.8
93.07037	38.1
95.08583	45.8
97.06538	32.0
97.10115	12.5
105.07039	27.5
107.08596	22.0
109.06499	72.2
109.10161	29.8
119.08605	14.5
121.10175	12.6
123.08044	53.7
126.99091	9.9
133.10141	43.4
135.11674	13.9
137.09605	11.2
151.11133	20.1
153.85678	11.9
161.13210	11.2
175.14847	15.8
189.16386	27.0
193.19547	15.6
218.55434	9.6
245.22691	21.1
263.23624	100.0
277.05170	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	265.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09573	1.3
53.67806	1.4
54.16180	1.8
67.05487	5.9
69.07044	1.7
70.06592	9.6
72.08143	3.4
80.04990	2.2
81.04536	13.7
84.04489	10.5
84.08119	3.7
85.46323	1.9
86.09696	13.7
91.05479	2.2
94.06572	15.5
95.08522	2.2
106.06560	3.3
110.07178	2.3
113.16885	1.8
115.19350	1.8
116.07111	2.3
120.08093	7.3
122.06068	6.4
122.07142	71.9
123.04427	2.0
127.15952	2.1
144.04781	22.3
150.05502	100.0
168.06548	3.5
173.07050	3.0
219.07558	4.2
265.06311	10.1
265.11224	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	265.1115
Annotation	Thiamine
Peak:m/z	Relative Intensity
55.63320	0.8
61.31012	0.9
69.04492	0.9
80.05022	1.6
81.04533	16.5
93.93168	0.9
113.02963	1.3
122.07145	100.0
144.04771	29.0
230.82664	1.1
265.11322	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40539	8.5
53.34204	7.8
56.96552	10.7
58.08820	6.8
59.40759	7.4
67.58884	7.9
73.04474	7.3
74.81972	7.9
81.04509	17.2
81.07043	8.6
85.11572	8.3
89.89507	10.0
94.97507	8.4
95.04947	8.4
105.07013	11.3
106.50663	7.4
107.08611	12.9
112.99902	7.4
121.10082	8.7
122.07149	100.0
144.04808	33.4
159.10413	28.7
186.23930	10.9
225.97993	10.6
247.63171	8.5
265.11902	19.7
266.15323	22.6
286.78714	10.7
289.01712	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.59760	9.4
54.31420	10.3
55.05514	17.6
56.96570	33.6
57.30869	10.4
63.74009	11.4
65.02741	10.5
67.05502	43.9
67.90230	9.3
69.03442	48.7
69.07043	11.3
70.06596	19.3
72.48737	11.9
74.62234	10.9
77.51615	9.5
79.05504	22.8
81.04562	22.2
81.07066	20.2
83.04977	21.5
86.09725	24.6
91.05493	56.1
93.07032	72.5
95.04956	60.2
95.08642	23.8
99.04459	13.9
101.25410	11.4
105.07035	75.1
106.35794	11.7
107.04960	26.7
107.08608	25.0
109.02886	11.6
109.06559	48.9
111.04477	42.7
113.06079	16.7
117.07033	29.5
119.08557	100.0
121.06556	48.4
122.07115	70.5
123.08070	24.1
126.83413	12.8
128.87991	12.5
129.07065	24.5
131.08643	42.9
133.10162	25.5
135.08064	72.6
137.09697	12.6
138.50612	14.0
139.07590	14.8
141.49837	13.8
143.08568	30.4
144.04860	22.7
145.06549	14.9
145.10176	46.5
147.08119	39.4
147.11688	21.7
149.09677	25.5
157.10155	21.7
158.07321	23.6
159.08171	37.4
159.11751	38.4
160.91966	13.5
161.09660	35.3
165.09152	31.4
171.11713	19.9
172.08847	19.1
173.09703	15.1
175.07530	70.3
175.11206	27.3
183.11797	20.3
187.11229	49.3
189.12746	26.2
189.18288	13.2
193.08618	19.7
199.11259	18.3
201.09419	22.8
201.12883	34.0
203.10667	38.1
217.12314	15.3
226.41635	13.1
229.12357	44.3
247.09679	14.8
247.13321	50.4
265.14639	91.2
265.17880	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
52.66717	1.2
55.05509	12.9
56.96558	3.3
70.06582	3.4
72.08147	100.0
76.73300	1.6
80.78546	1.3
84.08131	5.5
85.06542	1.8
86.09703	4.7
86.33614	1.3
88.63921	1.7
91.05492	1.8
95.04971	1.5
101.04877	1.4
105.07040	2.3
120.08096	11.0
122.07149	6.1
144.04744	1.7
166.08577	7.9
191.06940	1.9
265.11020	2.1
265.12524	1.4
265.15347	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	265.1546
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
56.96553	1.3
60.32400	1.0
67.05499	1.4
70.06583	2.6
72.08149	5.1
81.04515	2.5
84.08134	2.4
86.09705	3.5
91.05470	1.8
91.71697	1.0
93.07028	1.9
95.04994	1.7
103.05487	5.2
105.13530	1.0
109.06477	1.0
118.08683	1.3
120.08103	100.0
122.07167	6.0
144.04733	2.3
168.85057	1.0
187.07574	1.2
187.50365	1.0
219.14961	1.7
247.09657	1.2
265.11063	3.1
265.15485	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	265.1797
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03934	7.3
55.01857	10.9
55.05256	6.3
55.05504	77.9
56.96544	6.0
58.16899	5.6
60.36666	5.1
67.05489	28.6
69.07050	29.3
75.26171	6.2
79.05476	41.0
81.07050	20.2
83.08605	100.0
91.05466	44.3
93.07034	72.9
95.04948	14.6
95.08577	8.9
100.18158	6.2
105.07001	14.6
107.04998	5.8
107.08592	41.9
109.10180	12.7
111.08092	18.4
114.22119	5.6
117.07029	26.8
119.08595	22.6
120.72711	7.3
121.06513	11.3
121.10163	11.2
122.07152	40.8
127.11050	7.1
131.08527	14.9
133.10075	12.0
133.95900	5.9
135.08032	9.7
137.09602	9.7
139.11089	9.4
144.04805	11.9
145.10139	9.4
147.11613	6.2
149.09604	17.3
163.11188	15.5
201.16362	15.3
219.17412	32.7
230.85219	8.5
247.17012	14.1
250.04872	6.3
264.97510	9.2
265.17999	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	265.1797
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
50.17192	6.7
52.37599	7.1
54.94558	6.6
55.01865	11.8
55.05510	18.1
59.68541	6.8
60.71417	7.0
64.21638	6.5
67.05515	35.0
69.03420	8.2
69.07076	25.2
71.04984	8.3
79.05502	29.0
81.04541	15.1
81.07040	100.0
81.94879	7.5
83.05008	12.2
83.08593	9.2
86.26914	8.0
90.06407	8.0
91.05499	24.6
93.07063	35.9
95.04987	12.4
95.08640	29.8
97.06555	16.3
105.07059	18.1
107.04996	13.0
107.08611	22.0
109.06550	21.2
109.10188	15.6
117.07072	10.0
119.08587	16.4
121.10191	12.5
122.07146	66.9
122.95670	8.8
123.08092	17.5
128.18732	8.6
133.10091	9.0
135.08109	14.5
135.11749	13.2
137.09666	11.7
144.04843	21.4
149.09647	17.7
170.08734	8.6
188.56653	9.4
197.38480	9.3
247.17070	25.2
261.54333	10.4
265.17917	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	265.1798
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
55.01861	4.6
55.05503	11.1
57.07050	6.5
61.51692	3.7
62.16083	4.0
67.05505	50.2
69.07065	47.9
71.04988	8.9
79.05499	30.3
81.07041	53.5
81.33939	4.1
83.04971	11.2
83.08632	5.0
89.67159	4.5
91.05492	22.9
93.07050	33.6
95.04967	18.2
95.08597	29.6
97.06517	6.4
105.07031	33.2
107.04951	11.2
107.08591	20.6
109.06523	11.4
109.10165	11.4
111.08121	5.9
116.69813	4.8
117.07020	13.4
119.08582	22.7
121.06525	5.2
121.10152	16.2
123.08097	10.1
129.07088	6.9
131.08559	21.4
133.10149	21.7
135.08003	7.5
135.11674	11.5
137.09644	5.5
140.71300	4.6
145.10052	25.8
147.11687	9.9
149.09599	27.9
151.11176	15.4
155.08331	5.0
155.94315	5.0
159.11713	10.2
161.09673	5.1
161.13277	5.6
163.11162	43.6
173.09665	8.4
173.13261	4.6
179.10703	7.4
187.14871	7.1
191.10654	10.1
201.16325	11.2
209.11760	6.2
219.17412	26.9
223.09529	5.2
229.15901	16.0
240.28044	6.2
246.35345	5.3
247.16896	43.8
265.17969	100.0
276.97214	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	265.1798
Annotation	Nardosinanol G
Peak:m/z	Relative Intensity
55.05502	13.8
57.03429	50.8
57.07067	6.2
59.03833	4.4
59.51475	3.6
67.05492	44.4
69.07060	15.2
71.04978	9.9
79.05489	54.5
81.07050	41.6
85.06529	10.1
91.05470	90.3
93.07034	78.9
95.04967	12.7
95.08612	20.2
97.06499	7.2
105.07021	92.0
105.93819	5.3
107.08578	21.4
109.06529	8.9
113.06039	6.1
117.07010	23.6
119.08574	52.5
121.10145	10.3
122.07175	8.2
123.12456	4.7
129.07004	30.6
131.08563	89.1
133.10126	88.9
135.11707	9.3
143.77748	4.8
145.10118	67.1
147.11667	53.2
149.09595	23.3
154.49677	5.6
157.10127	92.9
159.08128	6.6
159.11679	6.2
163.11198	12.5
169.10155	9.7
171.11664	10.0
173.13237	42.7
175.11194	100.0
183.11658	7.3
185.13347	8.5
191.14337	20.0
193.12221	58.9
201.16310	11.8
211.14847	15.9
219.17490	5.3
229.15839	73.8
247.16908	95.4
265.17899	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	265.1797
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03929	1.8
55.01861	2.2
55.05489	2.3
56.96547	1.5
57.03421	1.4
60.71097	1.2
67.05496	16.0
69.03413	1.7
69.07059	5.7
71.04966	4.9
79.05486	13.8
81.03379	2.0
81.07047	22.3
83.04962	5.5
91.05465	15.1
93.07028	24.8
95.04947	6.8
95.08578	6.3
95.43684	1.1
97.06509	5.1
99.04417	1.5
105.07017	18.9
107.04945	3.4
107.08590	16.0
108.93072	1.0
109.06493	10.1
109.10122	2.8
110.07265	3.2
117.07001	10.1
119.08595	10.3
121.06509	8.0
121.10143	12.5
122.07144	2.7
123.08073	4.1
129.07010	2.8
130.07774	1.1
131.08557	16.9
133.10114	6.4
135.08029	3.4
135.11691	7.9
137.09567	1.1
143.08492	2.8
145.06456	1.1
145.10115	23.1
147.08022	4.4
147.11655	4.0
149.09604	26.4
155.08467	2.0
159.08116	1.6
159.10405	2.2
159.11641	4.7
159.30305	1.2
161.09624	2.2
161.13234	2.1
163.11151	13.2
169.10103	2.3
173.09631	3.9
177.12729	2.9
187.11177	4.8
187.14825	1.6
189.12787	2.8
191.10623	7.1
201.16241	2.4
205.12234	3.5
205.15778	1.4
207.13644	2.9
209.11760	6.6
211.14886	2.1
219.17436	2.3
223.13324	1.8
229.15828	7.7
247.16925	20.0
265.10410	3.8
265.17963	100.0
266.15189	1.5
270.77676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
54.51796	4.3
54.91986	4.2
55.05519	4.5
58.63694	4.9
65.97211	5.1
66.54845	5.0
67.05494	71.5
69.07041	5.0
79.05481	15.8
81.06599	9.0
81.07056	100.0
82.07298	5.0
85.06541	5.2
91.05472	7.3
93.07042	17.6
95.08598	58.1
105.07056	7.9
107.08584	11.0
109.10158	33.0
111.77448	6.5
121.10204	7.8
122.07138	33.7
123.11696	24.5
131.08484	8.6
135.11731	15.4
137.13275	10.7
144.04794	10.7
146.97295	5.8
148.13890	5.3
148.99582	5.7
149.09601	6.4
163.11099	8.4
215.17877	14.2
255.29961	6.6
263.25952	6.4
265.21686	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	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03947	6.2
55.01878	8.4
55.05504	24.1
56.96549	4.5
57.07066	34.5
59.04985	3.9
67.05494	79.9
67.05829	5.0
69.07059	66.5
69.07413	4.5
71.04993	7.8
75.22609	3.6
79.05488	29.6
81.03387	4.8
81.04546	9.4
81.07047	92.3
81.07475	6.7
83.04990	12.8
83.08632	13.0
85.00168	4.8
85.06559	7.2
86.30322	4.1
91.05467	33.9
93.07034	66.3
95.04985	18.8
95.08599	46.1
97.06557	17.1
105.07017	22.7
107.04996	15.0
107.08614	30.3
109.06518	26.6
109.10133	25.6
110.95490	4.7
117.07037	9.1
119.07887	4.0
119.08636	20.2
121.06565	7.2
121.10131	26.4
122.07147	49.6
123.08142	5.8
123.11722	8.8
131.08615	17.8
133.10159	18.2
135.08040	6.6
135.11760	11.1
144.04839	13.8
145.10214	19.7
147.11787	13.8
149.09691	12.2
149.13326	8.4
151.11224	19.4
159.11742	11.0
163.11214	18.9
173.13304	7.3
191.14394	5.6
247.17004	5.4
247.20586	21.1
265.18109	45.1
265.21735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1174
Annotation	2,3-Bis(p-methoxyphenyl)acrylonitrile
Peak:m/z	Relative Intensity
50.47028	1.3
52.94672	1.4
56.05035	1.8
56.96561	4.2
65.52871	1.4
84.04484	19.5
91.05467	3.3
98.01699	1.5
102.05527	4.2
103.92879	1.8
105.05808	2.1
107.04939	15.5
121.06516	4.7
129.05743	4.5
130.04997	2.7
130.06490	8.2
131.07333	2.2
132.10640	1.8
143.62964	2.0
144.08009	3.5
151.74931	1.9
157.05252	13.3
158.01286	2.8
158.06032	9.0
159.06781	93.3
160.07582	10.8
172.07559	100.0
195.42979	1.8
196.41536	2.0
227.03448	1.9
239.02896	1.7
248.52623	1.9
266.11725	94.6
280.13824	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.154
Annotation	Siamenol
Peak:m/z	Relative Intensity
50.35272	0.8
50.60390	1.7
58.18565	0.8
60.61838	0.8
67.52664	0.9
68.42365	1.0
75.53936	0.9
76.99395	0.9
104.54877	1.1
107.05082	1.0
107.78569	1.0
130.06500	1.8
159.10416	90.5
175.95160	1.2
184.00191	1.2
266.15366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1539
Annotation	Siamenol
Peak:m/z	Relative Intensity
50.60384	1.7
50.68958	0.9
56.57961	0.9
57.92184	0.8
62.37791	1.0
88.69768	1.1
90.86258	1.2
93.04031	1.1
99.90595	1.1
130.06516	2.5
145.68831	1.2
158.09698	1.7
159.06828	2.9
159.10425	100.0
172.07564	2.6
184.00212	1.1
195.23622	1.2
206.85637	1.4
217.62560	1.2
242.94698	1.2
266.15378	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07423	2.1
53.00854	2.2
55.05484	4.3
57.68509	2.4
67.05478	2.3
69.07057	3.3
83.08629	2.6
86.37165	2.9
91.71068	5.3
92.70610	3.1
100.11252	8.1
136.06189	9.5
209.07883	13.1
222.25615	3.2
267.11996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1201
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
53.38896	2.8
58.89195	3.2
59.73014	2.7
63.14946	3.0
67.05483	3.9
69.03419	3.6
89.89510	3.3
105.12710	3.3
118.88348	3.3
126.19395	3.4
136.06184	13.1
188.72728	3.8
222.63074	4.3
267.12000	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	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01863	10.6
55.05501	9.7
57.03424	17.5
61.02929	13.3
61.20543	1.7
66.67097	1.7
67.05498	3.0
67.73221	1.9
69.03420	81.4
71.04974	4.6
73.02908	2.9
74.21658	2.0
79.05485	9.3
81.03407	8.9
81.07048	33.7
81.28296	1.8
83.04969	22.5
83.08564	2.0
85.02905	18.1
91.03967	7.2
91.05472	23.4
93.07039	69.3
95.04952	8.8
95.08600	5.7
99.04478	5.0
101.06019	3.9
103.03938	2.3
105.07042	11.4
107.08606	10.1
109.06535	10.4
109.10169	3.7
111.04433	20.6
111.44318	1.9
113.05964	1.9
119.01954	2.3
119.08572	3.8
121.06496	86.6
121.10235	2.6
124.33051	2.6
125.05971	4.4
129.05481	9.6
132.10954	2.2
133.10164	2.8
135.08060	4.4
137.05974	100.0
147.06497	6.8
151.07532	3.4
161.09546	2.9
165.08983	2.7
175.14749	3.7
175.47635	2.0
178.09837	2.3
185.13283	4.5
203.14270	5.5
213.12675	2.8
221.15413	2.6
226.12209	3.0
231.13757	3.2
249.14803	19.8
267.15903	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	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.05027	2.2
57.38406	0.7
61.77405	0.8
67.20451	0.8
74.06072	5.3
77.41572	0.9
82.79871	1.0
84.04494	29.4
91.05487	3.5
93.07055	6.5
95.04887	0.9
97.02840	1.0
97.59849	0.9
103.05464	4.0
120.08121	2.2
121.06499	100.0
122.06874	1.2
130.04996	11.2
130.08159	0.9
135.11639	1.0
136.06194	2.6
138.09120	17.3
155.84618	1.0
166.08659	2.0
221.12889	4.1
250.10770	8.9
262.90967	1.0
267.13391	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	267.1341
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
51.56446	0.6
56.05022	2.0
64.89517	0.8
65.10810	0.8
84.04499	28.3
85.02916	1.4
86.09699	1.1
91.05482	2.5
93.07028	6.6
95.04960	1.3
102.05521	1.3
103.05466	5.0
119.57458	0.9
121.06499	100.0
130.04991	15.4
136.06209	2.1
138.09134	28.6
152.48955	0.9
204.10233	2.2
227.98486	0.9
231.10191	0.9
250.10686	11.1
267.13361	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	267.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.9
69.07034	2.0
77.43919	1.7
79.05484	3.4
81.07021	2.4
85.88483	1.9
91.05470	22.5
91.71045	2.1
95.04948	2.3
103.05447	7.6
105.03406	3.4
105.07024	100.0
106.03078	1.7
113.16566	1.7
131.04910	12.1
136.06180	5.4
143.08565	3.3
145.06483	7.1
149.05977	8.8
174.63074	1.8
193.06526	2.2
215.08611	6.6
216.09229	8.3
221.09631	5.8
231.11674	12.0
249.12669	4.2
267.13782	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.9
69.07034	2.0
77.43919	1.7
79.05484	3.4
81.07021	2.4
85.88483	1.9
91.05470	22.5
91.71045	2.1
95.04948	2.3
103.05447	7.6
105.03406	3.4
105.07024	100.0
106.03078	1.7
113.16566	1.7
131.04910	12.1
136.06180	5.4
143.08565	3.3
145.06483	7.1
149.05977	8.8
174.63074	1.8
193.06526	2.2
215.08611	6.6
216.09229	8.3
221.09631	5.8
231.11674	12.0
249.12669	4.2
267.13782	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	[4]-Isogingerol
Peak:m/z	Relative Intensity
53.94430	0.6
54.39305	0.7
55.01868	6.0
55.05503	3.3
59.88118	0.7
67.05489	3.0
69.07043	1.2
71.04961	0.7
78.90769	0.7
79.05489	8.1
81.07046	33.2
83.04959	1.7
83.08621	0.9
85.52147	0.8
91.05473	3.6
93.07044	2.0
95.04976	1.6
95.08590	3.5
105.06982	2.3
107.08581	11.2
109.06514	12.5
109.10159	2.3
111.04431	9.7
119.08590	3.9
123.08083	1.3
125.06031	4.4
133.10146	2.0
135.08055	2.7
136.06197	2.8
137.05968	100.0
139.07625	0.9
143.08549	1.5
147.08022	1.9
147.11691	1.4
149.09608	1.5
150.08784	1.0
151.07545	3.2
161.09595	1.8
165.09065	1.5
175.14803	2.8
185.13341	4.7
193.15854	1.2
203.14287	4.0
213.12758	3.5
221.15359	2.7
231.13806	2.5
249.14815	19.8
267.15866	20.7
267.18539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29097	1.3
55.95887	1.4
56.96550	2.1
57.03411	1.5
68.77586	1.5
69.03399	1.6
69.07047	13.1
70.06568	2.5
72.08145	1.5
86.09692	100.0
91.05479	4.4
107.04950	1.6
119.04951	2.5
123.04370	1.9
128.71719	1.8
136.06186	9.2
137.05971	45.0
154.08604	24.1
169.38538	1.8
204.76500	1.7
207.26457	2.9
267.16983	12.5
281.10342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58138	0.8
52.59579	0.7
57.07062	3.0
80.89280	1.0
81.07028	1.3
86.79765	1.0
87.15004	0.8
90.24258	0.8
92.83797	0.9
98.98460	100.0
109.10204	0.9
116.99525	1.6
136.06203	3.6
140.01071	11.8
155.04688	6.9
173.49847	0.9
194.70934	0.9
211.10895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00376	0.9
56.96541	1.2
57.07051	1.9
57.18996	0.8
61.71945	1.1
64.63721	1.2
66.33501	0.9
67.05492	1.3
69.07057	1.4
81.07020	1.5
91.71008	1.2
95.08594	1.2
98.98456	100.0
106.92745	1.2
116.99511	1.2
119.08585	1.3
136.06189	6.5
140.01050	12.3
140.02042	1.6
155.04649	5.7
211.11122	1.3
213.68443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01995	5.9
53.30239	5.8
54.54372	5.3
55.01858	10.8
55.05503	69.2
55.11256	4.7
55.56469	5.0
58.10762	5.8
60.27336	5.4
62.33601	6.0
67.05483	26.9
69.07046	20.5
79.05495	13.6
81.03379	7.2
81.07047	15.8
81.81269	6.4
83.08605	100.0
91.05466	40.0
93.07037	31.9
95.04958	10.3
95.08589	27.1
99.04412	7.2
105.07135	10.0
106.58571	7.4
109.10179	10.1
111.08089	28.7
116.70081	7.5
119.08537	40.8
121.10135	25.4
123.08022	10.7
133.10104	7.6
136.06177	28.5
137.09610	18.2
139.11211	12.7
139.80614	7.3
185.97598	6.8
249.18462	16.7
285.32767	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	267.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74789	4.4
51.09938	4.0
53.98267	4.7
55.05510	35.0
57.03449	4.5
57.07068	33.1
67.05498	38.0
69.07058	55.4
71.04984	8.5
71.08628	19.0
71.64949	5.0
79.05450	6.4
81.07040	82.7
83.08613	45.8
85.10162	11.2
91.37526	5.3
93.07024	8.0
95.08601	100.0
97.10139	33.5
109.10168	60.9
111.11739	15.8
123.11710	35.0
134.09695	10.9
136.06187	27.0
136.60229	5.3
137.13274	7.1
138.47137	5.8
138.48221	5.7
175.78799	5.4
190.65044	7.3
226.15912	78.2
250.33899	6.6
267.21201	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2683
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
51.93715	3.2
55.05301	2.7
55.05510	33.9
57.07074	32.8
58.22318	2.4
59.45618	2.6
67.05493	44.1
67.36378	2.8
69.07061	57.1
71.04984	10.4
71.08615	17.8
81.07050	86.3
81.97127	3.1
83.08611	54.1
85.06561	3.7
85.10160	5.0
88.14722	3.2
90.47429	3.1
95.08603	100.0
97.10163	39.8
109.10157	77.7
111.11704	17.9
111.36400	3.2
114.61563	3.6
123.11693	53.2
125.13264	4.3
136.06184	23.2
137.13297	11.7
151.14789	4.6
154.59399	4.5
158.31502	3.4
198.77606	4.3
244.72310	4.0
249.25630	6.2
267.26773	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	268.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04468	1.2
56.21960	1.2
56.96554	17.5
57.03430	1.3
69.82367	1.3
70.06578	2.7
72.08137	2.2
78.40556	1.5
80.28649	1.3
84.08096	2.3
86.09680	1.7
89.35007	1.4
96.68240	1.5
97.22116	1.4
97.99155	1.8
107.04945	10.8
119.03523	2.5
120.08107	1.7
131.77240	1.8
134.74612	1.7
136.06180	100.0
137.05943	1.8
146.00684	1.8
165.02223	4.0
167.00125	7.4
183.03270	14.3
185.01213	6.8
190.01749	2.2
201.04321	18.9
206.04895	15.7
208.02852	7.4
219.05406	3.4
224.05907	14.4
227.02060	2.2
245.03256	10.6
247.07486	11.5
250.03777	9.1
263.04358	2.1
268.04959	19.1
268.10461	5.1
280.92157	2.1
286.05948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34579	2.2
56.96303	2.2
56.96563	30.9
60.48109	1.9
62.76588	1.7
70.06573	3.0
81.03391	3.2
84.08155	2.3
86.09695	1.7
95.00272	2.1
95.04958	2.1
99.97853	2.1
107.04949	100.0
107.05680	5.0
120.08111	2.9
134.05905	2.4
136.06183	99.2
165.02254	6.5
167.00175	5.8
172.69028	1.9
172.78958	1.9
183.03282	23.0
185.01260	11.8
190.01758	3.9
201.04326	22.2
206.04868	20.7
208.02782	14.4
209.01170	4.0
219.05351	3.1
224.05925	25.7
225.04323	2.7
227.02272	7.0
229.50169	2.4
245.03363	12.8
247.07533	20.4
250.03899	11.0
263.04456	3.6
268.04916	24.0
268.10468	2.3
268.11798	3.0
273.05429	4.2
286.05991	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.81137	0.4
53.00357	0.4
55.01851	0.5
55.11076	0.4
57.03417	0.9
58.63503	0.5
59.25324	0.4
61.53811	0.5
71.01353	0.5
71.63534	0.4
75.88557	0.5
76.93211	0.5
107.10452	0.5
115.03944	0.5
136.06183	100.0
190.50581	0.6
268.10327	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	268.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03452	1.9
59.06101	1.2
67.27410	0.6
69.03426	0.7
69.26040	0.6
72.08139	3.1
74.36132	0.6
78.82784	0.9
80.04990	0.9
81.04534	28.3
82.04232	0.9
82.04847	3.2
82.05268	0.8
83.06071	2.0
84.04491	14.2
86.06042	1.3
87.87837	0.6
88.07632	2.1
94.62298	0.8
103.21177	0.8
103.78064	0.6
109.60793	0.7
110.07130	4.5
122.07146	100.0
123.06821	3.1
123.07499	28.6
124.08739	0.9
129.06598	15.6
130.04988	10.4
136.06187	2.5
139.09785	16.4
139.10864	0.9
144.04929	0.8
146.04323	8.9
147.04692	6.3
147.07646	2.3
169.09705	0.8
180.05199	0.8
185.03021	0.9
197.09204	8.8
203.03941	0.8
205.10844	3.8
208.04523	1.0
215.03920	0.7
223.11961	1.1
238.05495	0.9
250.12971	7.5
251.11496	2.0
268.06503	1.7
268.14017	26.8
268.16595	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	268.1694
Annotation	Haplacutine E
Peak:m/z	Relative Intensity
55.05507	1.6
66.55973	1.6
70.06572	1.6
81.75333	1.4
84.13354	1.4
91.05482	4.1
91.71346	8.9
93.07030	3.4
103.05470	1.8
105.91796	1.5
106.06539	2.4
107.04958	3.7
119.07294	2.1
120.08080	2.9
121.06488	17.1
132.08070	7.7
133.08865	2.5
136.06180	100.0
146.09619	3.8
148.11169	3.4
150.81039	1.5
160.11218	11.4
160.48431	1.6
161.11978	18.8
164.70049	1.6
168.90735	1.6
174.12744	5.5
175.42363	1.8
176.19408	1.8
219.37300	2.0
226.12271	7.7
240.30261	1.7
268.10364	2.8
268.16937	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	268.1696
Annotation	Haplacutine E
Peak:m/z	Relative Intensity
57.48032	1.6
70.06569	2.0
74.50681	2.2
90.34882	2.2
91.05457	6.7
93.07037	13.6
93.61227	2.0
95.04949	3.0
103.05444	4.1
104.66137	1.9
104.99360	1.8
105.04543	1.9
105.07017	2.4
106.06547	6.8
107.04952	26.7
107.07343	2.8
113.07307	1.8
118.06510	3.8
120.08088	3.7
121.06503	48.9
132.08066	7.8
136.05141	3.1
136.06181	58.4
144.08067	8.2
146.09668	18.5
148.11214	5.8
159.10374	5.9
160.11229	4.3
161.11975	21.6
174.12796	20.9
183.77773	2.0
255.07349	2.2
268.16937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72030	0.5
51.99483	0.5
52.76250	0.5
53.66686	0.5
56.47839	0.6
70.06583	100.0
70.11899	0.6
75.96706	0.6
88.23407	0.6
90.09840	0.6
136.06183	26.2
208.02199	0.6
252.82895	0.7
268.19058	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	269.0444
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
53.99330	1.4
55.01856	3.7
56.96544	1.7
59.94755	1.2
69.98507	1.7
77.00134	1.5
88.64585	1.6
91.68171	1.6
95.08576	1.8
104.65960	1.5
104.99281	2.1
111.04383	2.3
115.05435	4.1
121.02857	58.3
128.06190	2.9
128.35104	1.6
129.06982	5.2
136.06178	9.5
137.06544	3.1
139.05435	8.0
139.71660	1.7
141.06947	6.0
152.71332	1.7
157.06493	20.0
168.05647	1.8
169.06487	5.0
185.06000	9.8
187.54431	1.9
192.06633	1.7
195.04541	2.2
197.06104	2.3
199.03931	2.8
213.05438	100.0
223.03880	17.4
241.04924	17.8
251.03294	4.0
269.04410	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0919
Annotation	5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOIN
Peak:m/z	Relative Intensity
56.95478	0.9
56.96544	1.4
58.82122	0.9
59.81715	1.0
65.51774	0.9
69.26473	0.8
70.06558	1.2
70.43970	1.0
71.01321	0.8
71.38240	0.8
72.09657	1.0
84.04452	1.4
86.09705	1.6
96.65546	0.9
97.47780	1.0
107.04932	1.8
120.08077	1.5
136.06166	5.8
137.06500	4.2
145.92560	1.1
153.01094	1.0
157.37924	1.3
203.64056	1.0
223.08545	1.9
224.07152	1.1
226.07350	1.5
241.09737	3.5
254.06882	10.7
268.04587	1.2
269.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1648
Annotation	Daimuron
Peak:m/z	Relative Intensity
56.96562	0.8
60.75867	0.5
64.19118	0.7
65.03928	2.1
65.32285	0.6
67.05499	0.8
69.07081	0.8
72.04505	19.8
72.22103	0.6
78.38159	0.6
81.07024	1.2
88.77119	0.6
91.05470	100.0
91.62150	0.6
94.56120	0.6
95.08597	0.8
98.96983	0.7
101.07127	3.0
104.99242	1.3
105.06985	0.9
107.08573	1.2
108.08112	0.7
109.10158	0.7
111.37458	0.6
112.72851	0.6
115.61297	0.6
132.08122	1.2
134.09625	0.8
136.06213	1.2
136.11214	8.6
137.06577	1.0
166.07745	1.5
177.10278	1.4
181.10107	3.8
269.16449	4.8
269.22742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.7
56.96549	10.5
57.03419	23.3
67.05489	75.7
68.27129	8.6
69.07062	33.3
79.05479	31.7
79.76475	9.3
81.07047	100.0
81.68018	8.3
81.74957	9.7
83.08612	16.1
91.05468	30.9
93.07034	57.4
95.08600	37.0
97.06546	13.7
98.55486	9.5
104.99265	23.8
105.07024	12.6
107.08575	32.3
109.10132	12.7
111.08086	11.1
112.14920	8.6
117.06979	12.0
121.10204	16.1
133.10129	11.4
136.06186	30.2
137.06508	28.2
149.13266	27.6
159.11710	19.2
177.12737	17.4
195.13773	9.8
262.14670	10.4
269.17438	41.3
284.85043	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	269.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
57.07064	7.3
57.87773	4.3
59.48133	3.6
61.22822	3.6
63.86195	4.3
67.05499	8.6
69.07056	19.2
71.08616	6.5
75.46843	4.6
77.00623	6.5
81.07046	17.4
83.08591	8.0
84.26045	4.1
84.38293	4.2
85.06498	4.6
89.46735	5.0
91.05468	6.3
93.07038	9.9
95.08615	23.5
104.99265	11.4
105.07028	11.8
107.08596	12.0
109.10159	18.4
121.10146	10.6
123.11707	16.4
128.20229	5.6
149.13251	17.9
149.87886	5.3
176.38098	5.6
199.14729	5.7
243.52258	5.1
269.19324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	52.8
57.07079	31.2
58.35908	24.6
67.05511	91.3
69.07074	60.2
79.05511	28.5
81.07062	100.0
82.24219	24.2
83.08617	50.3
91.05490	36.9
93.07031	35.0
95.08636	72.4
95.15253	22.7
97.10165	44.1
107.08646	41.5
123.11719	35.0
136.06236	58.3
255.73590	34.2
269.21219	62.0
270.09628	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2839
Annotation	Phytone
Peak:m/z	Relative Intensity
50.84437	3.8
55.05501	54.2
57.07071	54.3
59.45690	3.6
67.05499	6.2
69.07064	100.0
71.08625	49.1
81.07044	7.8
82.27280	3.9
83.08617	73.4
85.10170	23.4
95.08578	5.5
97.10159	46.0
104.99257	34.9
109.10167	5.1
111.11737	23.6
128.14494	5.0
133.10117	4.9
136.06242	6.9
137.06528	7.0
140.18929	4.5
254.58084	5.3
269.22797	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	270.1122
Annotation	alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid
Peak:m/z	Relative Intensity
60.15129	1.8
63.48558	1.6
65.68795	2.0
67.11782	1.7
70.29649	1.6
78.54305	1.9
91.05460	13.2
95.17883	1.8
99.06082	2.0
101.18629	2.4
103.05450	10.3
107.04945	66.2
121.06503	9.3
130.06522	37.1
141.06998	4.8
154.07800	3.4
155.31868	2.3
167.08469	2.6
169.10130	2.7
171.09102	2.8
178.07793	6.1
179.08499	12.9
182.07262	4.1
185.73103	2.3
196.08899	5.4
197.09613	3.2
206.09636	10.6
222.09221	3.3
224.10677	100.0
270.11191	13.4
289.91299	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	270.2791
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.55595	0.5
53.70539	0.6
55.05503	0.8
57.06833	0.7
57.07068	7.4
58.02942	3.8
66.25175	0.6
67.05475	0.6
67.91836	0.6
69.07034	1.5
71.04957	1.0
71.08608	3.1
79.74120	0.8
85.10159	1.2
88.07625	5.5
102.09165	12.5
116.10732	4.4
130.12260	0.9
135.72040	0.7
144.13869	1.1
153.01894	1.1
157.35042	0.8
189.33080	0.9
190.27161	1.0
270.27887	100.0
271.05887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
57.07047	7.9
64.01335	2.6
68.59887	3.1
72.04494	4.9
74.27087	2.3
88.65279	3.2
91.66174	2.5
95.63174	2.7
103.94047	2.8
119.04958	3.4
125.35112	2.6
138.99409	2.7
179.05800	3.6
197.43275	2.5
270.09775	8.4
270.27899	100.0
271.06113	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	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
67.01839	3.0
68.53090	0.6
68.99757	1.9
88.90703	0.6
91.05466	2.3
95.04331	0.6
97.02850	0.7
109.77995	0.6
111.00794	0.7
119.04933	7.0
121.02857	1.7
129.01753	0.6
145.02882	1.6
153.01822	11.4
163.03864	1.1
171.02901	1.0
174.02110	0.8
174.20743	0.7
225.05550	0.9
271.05984	100.0
272.06305	1.0
282.88666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.059
Annotation	Apigenin
Peak:m/z	Relative Intensity
67.01844	2.2
91.05478	2.0
106.24754	1.6
119.04955	8.8
124.12489	1.9
145.02853	2.5
153.01807	11.5
213.05121	2.0
269.70792	2.0
271.05972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66679	3.1
53.03942	16.2
55.79564	3.0
58.39565	3.2
62.75452	3.0
62.87767	3.3
67.05488	3.4
69.03423	25.2
69.07066	5.0
70.06580	82.3
70.06944	6.0
71.04980	7.2
73.02907	8.1
80.12747	3.3
80.44979	2.7
81.03418	42.9
85.02903	12.5
86.09696	39.8
97.02870	16.1
99.04451	37.3
103.03911	3.4
109.02875	98.4
112.07597	11.3
116.07082	100.0
116.93530	3.7
127.03915	61.0
128.10730	15.4
148.12012	3.0
153.01810	6.8
192.09421	3.7
230.56345	3.5
271.05942	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	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
50.87019	1.6
52.47048	1.5
52.62323	1.2
59.51193	1.7
63.51731	1.5
63.56867	2.1
67.59985	1.8
70.06569	5.0
72.08145	3.1
81.07050	2.4
107.04939	7.7
109.02876	1.8
115.37633	1.7
137.05975	2.8
153.01720	2.8
166.16875	2.1
229.09750	3.1
243.11328	2.6
244.61046	2.5
261.78836	2.4
271.05991	32.9
271.11728	3.9
271.14377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31226	2.6
55.05501	4.1
56.49883	2.4
57.07054	4.3
59.64888	2.4
67.05484	6.0
69.07041	9.3
81.07042	15.1
81.07471	3.7
83.08605	4.8
89.06020	8.3
91.05485	9.5
93.07034	15.8
95.04964	7.2
95.08598	14.1
95.12237	3.2
105.07046	8.3
107.08598	7.9
109.10160	4.7
117.07016	4.1
119.04947	8.4
119.08591	8.4
121.06512	22.4
121.10151	5.5
123.11695	4.1
127.03884	3.2
133.10168	4.2
145.10068	4.4
149.13297	4.6
153.01817	10.3
159.11703	7.1
161.13234	5.2
165.09079	3.9
173.13298	6.5
187.14771	6.4
201.16405	6.6
229.45769	3.7
250.04109	3.4
260.26236	3.9
271.05994	100.0
271.24158	25.7
272.06458	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12796	0.5
63.64074	0.5
67.05473	0.5
67.50744	0.5
69.03418	1.3
69.07059	3.4
70.06582	81.7
74.30064	0.5
81.03414	1.8
81.07046	0.7
86.09696	37.2
93.13367	0.5
95.08575	0.6
96.24030	0.5
97.02896	0.5
99.04449	1.2
108.32476	0.6
109.02859	3.8
112.07602	13.9
116.07085	100.0
121.06462	0.7
125.09570	0.6
127.03899	2.1
128.10707	20.3
140.07057	7.2
143.07184	0.5
156.10159	2.5
286.85538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.33565	3.4
54.47136	3.2
55.05499	12.8
55.92792	3.0
57.07058	9.8
57.54762	3.7
67.05490	16.1
69.07060	34.1
79.05486	6.4
81.07047	35.3
83.08613	11.0
91.05475	9.0
93.07034	27.7
95.08612	34.8
105.07021	31.5
107.08583	26.2
109.10149	31.3
117.07009	5.7
119.04974	7.7
119.08561	23.4
121.10151	17.7
123.11702	18.0
131.08591	7.8
133.10146	14.1
135.11697	9.3
136.68141	4.5
143.08633	4.8
145.10143	16.1
147.11658	20.4
149.13242	25.7
153.01837	8.8
159.11646	33.6
160.02452	4.6
161.13300	19.5
163.14804	5.9
173.13237	22.0
175.14787	8.1
187.14798	10.2
189.16409	10.4
201.16391	10.2
215.18048	11.9
271.05994	100.0
271.24203	76.7
272.06323	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	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.50994	3.9
54.48678	4.0
55.05495	13.0
57.07056	6.9
61.91040	4.4
67.05484	22.0
69.06734	4.2
69.07047	32.9
71.08646	5.3
71.29269	5.0
72.14793	4.9
72.81962	4.1
77.69427	4.9
81.07042	45.4
83.08610	13.5
88.36984	5.2
90.32079	4.6
91.05443	13.1
93.07024	17.1
95.08595	43.9
103.32938	4.9
105.06991	35.0
107.08594	30.8
109.10168	27.8
112.00896	5.7
119.04938	7.8
119.08572	53.4
121.10150	30.0
123.11736	10.7
124.07731	5.1
131.08560	14.0
133.10127	17.7
135.11678	12.1
145.10129	25.5
147.11670	35.6
149.13251	19.9
153.01758	5.2
159.11658	24.9
161.13263	28.0
163.14798	9.2
173.13301	16.8
175.14815	14.2
187.14835	28.1
189.16382	10.3
201.16350	11.4
215.17964	16.2
229.19508	5.5
259.83545	5.7
271.05988	78.7
271.24133	100.0
272.06436	7.1
272.11194	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.85169	4.1
55.05494	11.6
57.07062	7.8
63.70829	3.9
67.05502	22.9
69.07053	32.9
69.68439	4.1
79.05499	8.2
80.13416	5.0
81.07047	42.7
83.08600	7.1
91.05479	24.8
93.07046	26.2
95.08597	42.5
105.07022	51.8
107.08603	32.7
109.10159	31.6
117.07050	4.7
119.08578	45.6
121.10150	19.1
123.11687	22.2
131.08575	12.2
133.10136	33.7
135.11691	23.4
145.10120	27.9
147.11694	70.3
149.13254	13.5
159.11717	29.4
161.13286	24.2
163.14861	11.9
173.13290	20.0
175.14835	17.8
187.14833	27.7
189.16371	46.2
201.16397	17.5
211.16420	4.8
215.17995	10.8
271.05945	27.3
271.24179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.64439	1.8
55.05488	7.1
57.07046	4.4
57.25061	1.9
67.05491	11.8
69.07060	24.9
74.36654	2.4
79.05494	2.4
81.07050	28.5
83.08598	9.4
91.05454	11.0
91.71644	3.7
93.07041	23.1
95.08595	25.7
105.07023	33.6
107.08586	22.4
109.10146	24.6
117.06998	4.3
119.08566	27.7
121.10126	20.9
123.11695	15.0
131.08554	9.7
133.10138	16.6
135.11691	13.6
137.13194	2.7
143.08636	2.7
145.10091	17.4
147.11668	53.1
149.13226	22.2
159.11674	27.0
161.13245	15.0
163.14824	6.6
173.13216	13.5
175.14830	9.4
187.14789	13.2
189.16411	9.7
201.16432	15.9
215.17960	15.8
229.19536	3.9
261.70041	2.6
271.05936	16.9
271.24185	100.0
272.11310	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.11213	3.0
55.05492	16.7
56.96575	3.2
57.07060	7.3
58.71349	3.1
67.05485	18.9
69.07059	26.7
71.08624	3.7
73.53548	3.8
74.09524	3.4
74.87563	3.2
79.05479	15.4
81.07049	74.5
83.08608	6.5
88.95655	3.4
91.05451	24.8
93.07034	31.3
95.08595	37.3
97.10136	4.4
105.07021	47.7
107.08591	31.0
107.86131	3.4
109.10146	25.8
117.07052	5.0
119.04930	5.7
119.08556	24.8
121.10148	29.7
122.36852	4.1
123.11707	12.8
131.08569	18.5
132.37302	3.8
133.10092	20.3
135.11697	9.3
145.10100	20.6
147.11676	65.4
149.13275	17.6
153.01813	4.9
159.11633	23.2
161.13263	17.9
163.14859	17.9
173.13292	11.6
175.14819	15.4
187.14819	57.3
201.16423	11.5
215.17906	23.0
271.05981	58.6
271.24203	100.0
272.11325	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.98454	5.0
52.04082	4.9
55.05503	6.1
64.83797	5.7
67.05476	16.3
69.07049	21.7
81.07052	30.7
86.78986	6.2
91.05508	7.1
93.07031	13.5
95.08619	28.8
105.07042	29.0
107.08581	25.2
109.10160	24.8
116.53677	6.2
119.08599	21.4
121.10137	22.8
123.11693	18.2
131.08583	18.0
133.10165	17.0
135.11694	12.7
137.24207	6.9
145.10159	20.1
147.11699	29.5
149.13245	19.7
159.11757	17.8
161.13297	18.0
163.14813	11.7
173.13239	16.1
175.14781	10.5
187.14873	7.8
188.64601	7.2
189.16501	7.3
201.16504	11.6
215.17924	15.9
271.06119	11.3
271.24170	100.0
271.68561	8.5
274.00534	8.4
286.55182	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	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
57.07066	5.8
67.05489	15.4
69.07057	28.5
74.30270	3.6
76.76297	2.9
79.05466	3.7
81.07049	30.4
83.08611	7.0
86.57961	3.4
91.05471	10.6
93.06545	3.3
93.07009	18.4
95.08603	28.0
105.07015	24.3
107.08596	20.9
109.10149	23.9
116.30370	3.3
117.07030	4.9
119.04935	6.1
119.08571	25.5
121.10140	20.2
123.11756	16.5
131.08578	7.7
133.10098	18.0
135.11674	7.8
137.13266	5.0
145.10150	15.6
147.11702	26.1
149.13269	20.7
153.01855	13.5
159.11690	21.7
161.13301	12.9
163.14830	7.9
173.13292	17.2
175.14838	11.4
187.14850	12.8
189.16418	17.2
201.16328	10.7
215.17932	10.2
230.64301	3.8
255.85658	4.2
271.06003	100.0
271.08868	6.4
271.24182	77.5
272.06195	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	271.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56972	4.7
93.82227	4.5
97.47517	5.8
109.78107	4.4
173.49573	5.4
271.97498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0917
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
56.96527	2.4
57.07042	1.9
61.16393	2.1
68.66653	1.9
70.06577	14.7
72.08140	5.1
84.04493	5.9
84.08121	9.2
85.02895	2.9
86.09683	8.2
91.05489	3.5
99.21527	2.1
100.11215	7.1
106.06566	3.2
107.04942	27.1
108.26398	2.1
110.07127	2.7
123.04392	3.6
134.06013	7.3
135.04384	8.0
136.03920	2.6
143.04961	3.3
161.06027	4.1
162.05504	11.9
163.49600	2.0
175.92287	1.9
227.17496	3.2
253.44951	2.7
255.10094	5.2
272.06372	7.2
272.09134	100.0
272.12509	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	272.1279
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
51.88164	0.7
56.96578	0.6
57.07063	0.7
63.66103	0.8
64.67830	0.7
65.71513	0.8
69.06985	0.9
73.19115	0.7
73.75546	0.8
77.03903	1.2
90.04692	1.2
91.05469	6.2
93.07037	8.4
94.21970	0.8
95.04948	4.1
101.34130	0.9
102.47256	1.0
103.05468	6.8
104.04980	7.4
104.06255	1.3
105.07020	4.6
106.06566	4.9
107.04946	31.4
107.07312	2.4
115.05437	3.8
117.05755	13.2
118.06541	4.4
119.07317	25.0
119.08566	1.4
120.08087	7.0
121.06496	54.6
130.06519	2.2
131.07219	1.0
132.08084	63.0
146.34416	0.8
178.08632	9.9
208.11182	1.3
226.12248	100.0
237.96436	1.0
272.06354	10.1
272.12775	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59487	2.9
57.22025	3.7
58.77784	2.9
61.65401	3.2
66.46899	2.7
67.21528	3.2
69.07051	3.8
70.06578	4.9
81.07039	4.4
91.05463	7.1
91.71684	6.4
93.07026	8.1
95.04962	5.2
103.05450	6.1
104.04996	6.1
105.07024	8.0
106.06571	7.3
107.04944	33.7
115.05428	5.1
117.05754	11.0
119.07323	19.8
120.08141	14.2
121.06499	58.0
132.08089	63.6
135.94713	3.3
178.08643	12.8
192.98866	3.3
201.33229	4.0
208.11174	4.0
226.12251	100.0
248.61830	4.3
272.06357	25.1
272.12766	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1278
Annotation	(R)-Norcoclaurine
Peak:m/z	Relative Intensity
56.03293	6.8
66.79371	5.9
69.07041	8.4
70.54321	5.5
81.03391	14.2
85.02890	9.9
87.95210	8.2
91.71069	9.7
93.07032	14.8
98.06040	7.7
103.05447	11.1
104.04993	12.2
106.06546	15.1
106.32213	6.6
107.04962	25.0
108.59510	6.7
117.05787	13.0
118.06549	9.6
119.07339	14.1
121.06499	70.4
132.08095	55.4
134.05992	17.1
139.59924	8.0
146.06004	9.3
151.27457	7.6
164.07065	8.9
178.08572	10.3
226.12265	100.0
257.24353	8.0
272.06406	54.8
272.10895	81.3
272.13312	12.0
278.35724	8.1
286.76413	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	272.128
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
56.96566	3.1
61.02901	3.9
61.09200	2.1
61.33527	2.0
63.18672	1.8
64.91118	1.9
66.42029	1.9
70.06593	15.3
79.05474	3.0
81.03410	4.6
81.05742	2.4
83.05007	4.5
84.04491	8.3
84.08143	6.1
85.02910	5.2
86.09702	10.7
91.05476	2.9
92.83774	2.1
95.04946	2.9
97.02895	2.6
101.02430	2.4
106.06541	9.9
107.04950	100.0
110.06038	7.1
111.04415	4.7
115.05414	3.5
119.04991	3.1
121.06532	8.7
123.04402	6.4
124.03924	2.9
130.05029	4.6
134.06023	11.8
137.05977	3.2
143.04945	8.1
145.06490	8.0
146.06079	3.1
150.05487	2.7
152.07080	10.5
161.05984	13.8
177.05322	2.5
195.32379	2.4
198.09320	2.5
255.10210	21.1
272.06351	11.7
272.11322	40.0
272.13080	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	272.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91759	3.4
57.07076	27.2
57.07302	4.4
58.06581	6.6
62.06079	30.4
71.08633	24.5
85.10158	8.9
110.05988	4.4
176.11200	4.7
232.19261	5.3
261.89844	5.2
272.06439	22.2
272.11081	30.8
272.24789	7.3
272.29465	100.0
273.11462	5.1
293.09830	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	273.0756
Annotation	1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone
Peak:m/z	Relative Intensity
50.86946	0.7
53.33394	1.1
55.01869	0.7
58.77291	0.8
61.62348	0.7
69.01966	0.8
69.58249	1.1
73.67583	0.9
78.98750	0.8
86.70966	0.9
90.62872	0.8
96.19209	0.9
107.04999	0.9
108.06638	0.9
121.02937	0.8
128.06181	1.0
129.07013	1.0
134.62358	0.8
137.02379	1.2
143.08582	1.9
145.30006	0.8
152.06195	5.4
153.06979	19.1
157.06543	3.2
159.04454	1.2
160.05280	1.8
165.06978	1.9
169.06523	1.8
171.08028	4.7
181.06470	43.5
187.03891	1.1
191.05055	1.3
199.07564	8.2
209.05956	26.7
226.06250	1.3
227.07018	14.2
237.05437	27.8
255.06496	100.0
273.07504	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	273.0756
Annotation	1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone
Peak:m/z	Relative Intensity
56.96552	1.6
59.57357	1.1
65.39595	1.0
68.73100	1.0
71.37952	0.9
72.00883	1.1
80.40130	1.1
82.64659	1.1
87.00914	1.4
107.04960	2.4
128.06207	1.5
133.20651	1.3
137.02310	1.3
137.44652	1.0
143.08548	1.6
152.06210	8.2
153.06982	23.0
157.06517	2.9
159.04369	1.7
160.05200	2.4
163.03984	1.9
171.08086	4.6
181.06476	48.5
185.05988	1.7
187.04010	1.7
199.07504	10.1
209.05952	24.5
210.06752	1.5
212.93352	1.3
227.07002	15.3
237.05440	23.1
255.06503	100.0
273.07544	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.04935	9.1
56.96545	13.4
67.05489	12.4
69.07043	15.3
79.05492	18.4
81.07043	11.3
83.61043	9.3
85.02869	9.4
87.35519	11.6
105.07024	38.5
107.08610	27.0
109.06493	16.7
118.40079	11.8
119.08610	32.2
133.06506	15.0
133.10092	16.5
142.07774	15.0
143.08543	32.1
145.10147	13.3
157.10144	18.9
166.03706	10.7
171.11694	32.7
173.09590	21.1
183.11662	13.9
195.11702	11.7
197.13222	26.6
199.11147	15.9
211.14841	29.4
213.16489	18.2
227.14499	20.5
255.17401	40.3
273.11520	24.6
273.18414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
57.07056	13.7
57.09582	8.0
62.92395	8.1
63.62874	7.9
67.05489	16.8
69.07047	22.2
70.05917	8.3
71.08618	9.6
75.99487	7.2
81.07044	100.0
82.71565	7.4
88.11797	7.3
91.71030	8.4
93.07022	11.3
95.08608	35.3
105.07034	29.7
105.57668	8.4
107.08596	21.7
109.10130	28.1
119.08607	19.2
121.10210	10.8
123.11739	9.6
131.69968	8.0
133.10153	19.9
135.11700	11.8
147.11678	27.1
154.12445	8.4
154.29187	8.5
161.13274	18.9
189.16362	14.0
216.98819	10.4
225.52422	9.7
262.90063	10.9
273.25757	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05496	20.5
57.07059	7.5
65.55029	7.3
67.05487	31.9
69.07055	49.9
69.07373	7.7
79.05474	11.3
81.07048	100.0
83.08617	18.1
90.13309	7.3
91.05513	10.6
93.07043	40.3
95.08591	85.4
95.11818	7.9
96.60905	8.5
97.10152	13.5
105.07023	21.3
107.08599	48.8
109.10162	61.5
119.08603	31.4
121.10121	44.4
123.11730	45.0
133.10109	16.7
135.11705	31.7
137.13239	18.5
147.11688	16.3
149.13220	62.1
151.14832	9.5
152.28740	8.8
161.13298	25.1
163.14833	18.5
175.14906	11.8
177.16444	17.0
182.90831	8.5
189.16400	15.6
203.17966	12.0
206.67319	9.9
217.19525	19.6
273.25705	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05500	23.5
57.07057	10.2
59.19044	2.9
65.23927	3.3
67.05500	26.6
67.15340	3.0
69.07053	46.9
79.05479	13.4
81.07045	100.0
83.08611	17.3
91.05455	15.0
93.07037	48.3
94.49448	3.6
95.04939	4.0
95.08595	91.3
97.10159	17.2
101.41780	3.1
105.07013	26.3
107.04966	4.9
107.08581	64.6
109.10158	65.7
111.11729	3.9
117.28127	3.5
119.08587	25.0
121.10121	38.7
123.11704	38.5
133.10136	18.5
135.11681	29.0
137.13277	7.2
147.11684	15.8
149.13260	57.5
154.85110	4.2
161.13295	11.5
163.14828	34.4
175.14821	15.7
175.52637	4.2
177.16350	21.1
182.19099	3.8
189.16403	14.1
191.17926	37.5
200.67802	4.2
203.17963	20.4
213.87526	4.2
217.19566	7.0
273.11789	4.8
273.25742	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77253	2.6
56.23865	2.4
56.96566	13.2
57.07075	12.3
60.38667	2.6
67.05511	3.6
70.06589	16.3
71.08647	7.7
85.10210	3.0
88.07624	19.1
102.09189	5.0
106.08704	10.7
107.04953	26.6
107.05473	2.7
112.77726	2.8
149.02371	3.6
177.00334	3.5
185.10075	3.8
239.92133	3.7
256.26407	6.4
274.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73425	10.5
56.96556	33.1
59.47040	10.5
70.06583	88.9
72.08143	71.5
84.08120	28.6
86.09702	29.7
91.04090	11.1
91.71598	14.6
96.08118	26.6
97.99124	13.0
102.48425	14.6
110.06027	36.8
124.07578	21.1
124.14054	13.0
128.07085	49.8
129.10216	36.2
142.08717	14.0
143.08205	16.2
152.07054	19.6
168.06598	23.7
172.06055	16.3
182.08147	42.9
184.06139	18.4
188.09219	23.8
256.08063	20.4
274.09198	100.0
274.27515	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	274.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81354	2.2
54.33602	2.6
55.05496	3.4
56.89742	2.6
56.96542	5.1
68.05019	3.5
70.06584	100.0
72.08121	5.0
77.12659	3.4
81.07067	5.4
84.08134	4.8
86.09715	4.0
91.05456	3.2
92.81087	2.7
93.06997	2.9
94.17815	2.8
95.74534	2.9
98.06047	12.4
107.04948	50.5
108.04423	3.4
117.25763	2.6
124.33245	3.0
126.05521	22.7
154.04993	7.3
158.08150	7.1
168.06570	10.4
186.07578	20.0
196.06067	19.2
214.07079	5.2
221.12975	4.0
238.34682	3.2
242.06557	43.8
274.09207	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	274.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	2.9
68.04421	2.8
70.06581	5.6
70.97211	2.8
72.08141	16.0
72.32858	3.2
85.02880	6.7
93.14034	3.0
102.52225	3.1
110.09667	4.1
116.63145	4.0
140.90700	3.7
171.04160	6.8
184.04633	4.5
187.03683	82.3
215.03175	5.9
273.97235	4.3
274.10507	100.0
282.01160	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	274.2736
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.80116	1.2
53.17220	1.3
57.07065	8.7
58.14165	1.3
62.87014	1.4
70.06583	18.3
71.08620	4.3
85.10163	2.0
88.07097	2.1
88.07622	17.5
102.09203	3.8
106.08657	11.3
112.36609	1.7
124.06962	1.6
139.31009	1.5
170.90672	1.6
187.10170	1.7
193.42151	1.4
200.23566	1.6
217.47607	1.6
254.33580	1.9
256.26276	4.6
274.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00388	16.7
54.99254	18.2
56.96548	26.3
56.99095	20.7
58.84412	19.3
61.82456	21.3
74.47403	20.8
79.56202	19.4
82.06574	23.8
84.04488	29.1
84.08145	25.6
96.17390	22.5
108.04480	31.1
125.07113	100.0
189.64085	26.2
275.01663	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69106	37.8
55.05481	40.4
55.43459	34.0
56.96561	55.0
57.86918	34.4
59.16586	37.3
61.50630	33.4
65.16392	39.7
69.03425	73.5
72.08160	51.1
80.74277	38.0
81.03378	83.7
83.04961	71.7
84.08122	57.4
95.04933	49.4
97.02920	100.0
97.87350	46.0
101.82030	44.7
105.07025	49.0
111.04432	90.3
117.60507	41.1
124.57642	56.0
149.07150	68.1
158.07346	54.7
184.04735	46.8
245.25038	42.5
275.13434	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70663	0.9
55.01871	0.9
56.96569	1.5
66.35814	0.8
67.05497	1.7
68.99799	2.8
70.06600	2.5
72.08141	1.0
72.68122	0.9
79.05494	2.5
84.04531	1.1
86.09727	2.5
91.05482	7.0
93.07069	2.2
95.04973	5.2
103.05503	1.5
107.04946	100.0
109.06537	2.1
111.04462	1.4
119.04967	1.8
120.08091	1.6
121.02895	3.5
121.06477	8.6
123.04465	4.6
135.04405	54.0
137.05966	8.3
151.03893	13.9
151.04890	1.2
153.05536	1.1
163.03888	95.2
165.07039	1.7
169.85371	1.1
181.04904	11.0
183.08153	1.2
204.04468	1.2
204.06673	1.0
215.23383	1.1
229.08684	3.8
231.10095	1.8
239.07040	1.2
257.08054	57.6
275.10101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1276
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
51.04893	1.0
53.25642	0.9
57.51827	1.1
63.70345	1.0
65.03918	3.0
79.05475	10.1
81.07046	26.9
90.04735	1.2
91.05472	14.9
91.71006	2.2
94.04167	2.8
95.04963	1.3
103.05457	3.7
105.07031	10.2
107.04949	7.8
108.05747	1.5
109.05819	2.0
109.06506	29.3
114.36960	1.1
118.04162	2.4
119.04912	2.9
120.05753	2.8
121.06493	4.5
133.06497	6.9
134.07303	6.0
135.04390	6.4
135.08035	3.4
137.05966	100.0
150.06749	26.5
151.07529	41.2
152.07857	3.2
165.09093	87.2
216.00267	1.2
256.97769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15008	2.7
68.98541	3.4
70.06589	4.1
71.05011	3.2
75.60354	3.1
84.04492	46.8
84.08120	5.3
86.09691	100.0
90.00896	3.0
102.05527	14.3
111.04459	5.0
126.04437	3.7
144.06534	32.3
158.01228	3.8
162.07591	63.9
164.07123	4.2
181.02913	3.7
213.42731	3.3
275.16028	10.5
297.99078	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	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
50.62214	6.5
52.48817	7.1
55.12922	6.5
56.96542	9.0
57.52182	6.9
57.71244	6.3
67.05489	34.9
67.61131	6.9
69.07043	14.8
70.61124	7.2
79.05477	37.2
81.07036	43.7
83.08611	14.7
91.05486	78.8
93.07036	73.0
95.04958	8.7
95.08603	28.1
105.07021	100.0
107.04935	9.3
107.08578	34.9
117.07014	11.3
119.08586	55.7
123.08099	8.8
127.03954	9.7
131.08562	26.9
133.10117	41.6
133.32312	8.3
143.08478	8.3
145.10097	20.8
147.11659	42.7
156.23264	9.4
159.11691	13.7
161.13213	12.3
166.60323	8.8
257.18848	9.7
275.16434	39.7
275.20087	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01852	6.2
55.05490	12.6
56.75038	3.9
56.96561	6.9
57.03434	7.1
60.36172	3.9
67.05489	22.6
69.07048	14.2
79.05480	18.5
81.07051	24.8
83.08615	12.4
91.05475	46.0
91.71072	7.2
93.07042	20.1
95.08609	16.8
105.07020	60.7
107.08610	10.9
109.06522	5.3
109.10158	5.3
117.07018	19.1
119.08578	44.2
121.10161	10.3
129.07039	10.5
131.08553	19.0
133.10150	27.8
135.08040	9.1
144.95367	5.8
145.10127	20.8
147.11702	25.0
159.01575	6.7
159.11673	15.3
161.13278	10.8
185.13351	6.3
197.13309	6.6
203.14380	8.4
217.42255	5.7
257.18866	14.0
275.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.75138	6.2
55.05503	18.7
56.85468	7.1
60.02392	8.0
67.05486	31.6
69.07034	13.8
79.05488	29.2
81.07036	26.9
83.05003	9.0
91.05487	50.3
93.07030	35.9
95.08616	20.2
96.91644	7.8
97.06490	10.8
104.63842	7.6
105.07027	57.4
107.04976	10.1
107.08585	14.8
109.10180	13.3
109.98522	7.6
116.54673	7.9
117.06997	11.4
119.08520	41.0
121.10155	16.5
131.08569	12.4
133.10146	37.4
145.10141	24.8
147.11702	19.6
149.09616	17.1
151.11183	11.8
159.11667	15.5
163.11227	13.2
169.10014	10.8
239.18117	11.4
275.20016	100.0
275.27762	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05494	14.3
56.96553	14.7
57.07067	10.0
63.90743	5.9
66.20391	8.6
66.94524	5.6
66.94968	5.6
67.05504	34.7
67.05787	5.5
67.55130	5.3
69.07051	17.6
70.06577	16.4
71.04985	19.9
79.05468	29.7
81.07059	40.2
82.03425	6.4
83.04992	6.9
83.08589	11.0
85.06506	8.5
88.07614	23.9
91.05474	61.1
93.07027	49.4
95.04955	11.7
95.08606	27.2
102.09184	7.9
105.07011	58.2
106.08688	10.4
107.04916	8.6
107.08574	27.6
108.05280	8.2
109.06489	23.7
109.10136	11.6
110.04350	8.9
111.08052	23.2
117.07081	16.4
119.08567	62.1
121.10142	29.0
123.08129	8.5
127.29149	6.9
131.08546	47.3
133.10088	41.4
135.08012	21.2
137.05989	50.3
137.09549	10.9
145.10136	34.2
147.11676	28.1
149.09663	14.0
149.13329	8.3
157.10072	24.2
159.11688	31.0
171.11670	14.0
173.13226	35.1
175.14799	8.9
177.12764	8.5
183.11711	10.2
187.14970	10.1
199.14886	16.7
201.12767	10.0
215.18005	9.6
219.23274	7.7
239.17923	14.5
247.89613	7.9
257.19046	18.8
274.27396	18.5
275.20071	96.4
275.27701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05502	20.7
57.07062	27.9
60.47273	6.2
62.35697	6.5
66.64087	7.4
67.05521	19.0
67.89579	7.8
69.03421	10.3
69.07072	9.2
69.21446	6.2
70.06570	15.2
70.62772	7.4
71.04980	18.4
79.05485	31.4
80.67676	7.1
81.07058	41.7
83.04969	38.9
85.06548	28.6
87.14458	6.7
88.07633	8.3
91.05495	24.4
93.07038	55.1
95.04980	16.7
95.08602	51.2
97.60223	8.7
105.07028	70.2
107.04910	11.1
107.08587	46.7
109.06498	13.5
109.10168	24.7
111.08127	8.5
113.09649	13.6
117.07020	13.8
119.08557	43.5
121.06532	16.8
121.10130	87.6
122.07252	7.8
125.09624	16.4
127.98701	9.6
131.08586	23.7
133.10120	100.0
135.11710	15.6
137.09616	95.1
143.08630	13.0
145.10130	17.6
146.07294	11.3
147.11707	20.7
149.09613	36.6
157.10123	12.3
159.11702	19.2
161.09622	37.8
163.11203	12.8
171.11627	10.2
173.13219	50.7
175.14723	9.4
191.14426	10.2
199.14769	14.4
201.12793	22.7
217.15866	20.7
257.19006	23.3
259.23959	9.1
274.27560	8.7
275.20016	77.9
275.27814	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05492	41.8
67.05487	72.4
69.07040	24.6
70.20259	8.2
71.04953	11.0
72.84965	8.5
79.05479	72.2
81.07050	100.0
83.04966	16.0
84.23466	9.6
85.06518	18.8
89.33183	10.2
91.05463	52.1
93.07019	98.4
95.04968	12.9
95.08597	93.5
97.02885	25.9
103.02424	12.6
105.01711	9.0
105.07011	50.2
106.08702	11.7
107.04948	11.2
107.08585	37.7
109.10155	32.4
119.01917	11.7
119.08549	35.3
121.06488	22.2
121.10122	81.5
123.08034	10.1
123.11711	15.6
133.03485	57.1
133.10150	68.8
134.95226	10.3
136.72305	10.7
137.09576	65.7
143.01898	15.5
149.09586	24.9
151.04536	13.1
156.05093	47.5
159.11613	19.1
161.02986	14.2
161.09576	28.6
163.11115	15.8
173.13217	21.4
174.06129	12.6
174.50865	12.3
175.04530	18.0
184.04552	28.7
187.04524	21.3
199.14702	12.3
211.04468	13.7
217.05585	18.5
217.15916	12.8
222.60915	10.4
251.20004	12.0
275.20007	56.0
275.27707	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2732
Annotation	Kaurane
Peak:m/z	Relative Intensity
55.05495	8.3
55.50636	1.4
57.07058	7.1
66.34879	1.6
66.50545	1.5
67.05499	26.9
69.07059	27.3
71.08598	1.9
79.05486	5.7
81.07047	100.0
83.08610	13.9
85.10155	1.9
91.05441	2.8
93.07044	9.5
95.04972	1.8
95.08597	66.4
97.10160	6.6
103.05508	1.6
107.08595	13.4
107.72222	1.8
109.10145	37.5
111.11724	6.7
119.05896	1.8
121.10123	9.3
123.11703	21.4
131.08501	2.1
135.11681	6.3
137.13223	10.2
137.85876	1.6
149.13263	5.4
151.14758	3.1
153.92696	1.6
163.14784	2.6
164.43132	1.6
172.17110	1.9
192.31407	1.8
270.39218	2.6
275.27341	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	276.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	9.9
57.07059	13.4
61.91691	5.9
66.51726	5.7
70.06570	32.3
75.31461	6.6
79.33363	5.7
87.04444	44.5
88.07635	34.7
90.16737	6.6
94.05169	7.0
102.09158	20.0
115.89381	6.3
116.76292	7.1
126.79062	6.9
151.22704	6.7
214.21577	47.6
242.68820	7.6
266.85440	8.2
276.25296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94483	13.4
52.06659	14.9
59.53711	15.9
61.40415	17.2
64.31701	13.5
66.48185	13.3
70.06586	19.4
71.33041	14.1
72.08147	22.2
91.27270	16.0
104.62386	15.9
122.78870	17.5
130.78560	16.0
131.86136	17.4
148.22131	16.2
172.09735	16.5
189.03505	17.2
198.04332	22.1
203.31693	19.1
223.65292	15.4
277.03165	21.9
277.08725	100.0
298.13461	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	277.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
59.76793	0.6
67.05480	1.3
69.03405	0.6
75.19607	0.6
77.03908	1.0
78.90310	0.6
84.14313	0.5
84.85441	0.5
87.07507	0.6
91.05458	1.2
95.04944	3.0
97.02892	1.1
105.03391	1.9
107.04945	15.3
109.02877	0.6
120.08074	0.8
123.04419	100.0
124.04708	0.6
136.23770	0.6
137.05989	1.8
155.03377	1.8
178.87291	0.6
181.63618	0.6
183.06549	1.0
189.84845	0.6
189.93465	0.7
209.58125	0.6
217.48317	0.6
220.02928	0.6
231.06549	0.8
259.09695	1.1
277.06836	3.2
282.07425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17640	0.6
54.56753	0.6
56.08257	0.6
65.21897	0.9
80.32861	0.6
81.47478	0.7
81.62472	0.7
89.29399	0.6
91.71634	1.5
107.04960	3.7
111.95014	0.8
137.01479	0.7
138.05431	0.8
165.05482	0.8
176.02768	2.7
177.03554	7.6
185.08235	1.4
203.03859	2.0
217.05405	5.2
218.06178	10.1
219.59984	0.9
246.05661	27.3
247.06451	6.9
259.06430	8.8
277.07504	100.0
278.07587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1069
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.03938	0.5
55.01855	0.7
57.93732	0.2
67.01846	0.3
67.05478	0.3
68.95964	0.2
71.01334	0.6
77.03937	0.2
79.01864	0.3
79.05482	0.8
81.07037	0.5
89.95618	0.2
91.05451	0.7
91.38453	0.2
95.04956	2.5
97.93783	0.2
103.29200	0.2
105.04504	0.3
107.04944	100.0
108.05290	0.5
109.02884	0.3
109.06512	0.8
111.04430	0.2
119.04958	0.3
121.02859	1.4
123.04419	1.0
135.04347	0.7
137.05966	1.3
145.06488	0.3
147.04393	0.6
153.05467	1.2
165.05458	4.5
170.16287	0.3
171.06557	2.5
171.07912	0.4
183.06532	6.2
183.08182	0.4
199.07417	0.3
213.09111	0.5
230.14226	0.3
241.08585	1.0
259.09619	8.0
277.10834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40897	0.6
53.03962	0.7
55.05256	1.1
55.05505	16.2
56.96555	0.9
57.07074	4.4
65.03926	1.3
69.03453	0.7
69.24017	0.7
76.10315	0.7
78.14915	0.6
92.15779	0.7
101.55838	0.8
102.82516	0.7
108.50068	0.7
121.02881	6.1
137.50314	0.7
145.11122	0.8
149.02333	100.0
179.10667	1.8
190.04947	5.7
203.07062	2.4
205.08632	1.7
213.93985	0.9
235.16841	3.8
277.14362	4.3
277.17892	6.7
277.28284	0.8
281.11356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.0
56.96557	1.1
57.07059	2.9
65.03931	2.5
77.33572	1.0
79.60981	0.9
81.07034	1.2
91.05437	1.2
107.08570	1.0
120.64960	1.0
121.02873	4.7
142.32771	1.2
144.10541	1.2
149.02328	100.0
159.11967	1.1
190.04985	9.3
209.51506	1.1
213.02766	1.2
216.03912	1.2
221.08061	1.5
277.14322	7.6
277.17450	0.9
277.21518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	Prepenlanfuran
Peak:m/z	Relative Intensity
51.74027	7.4
52.21567	6.9
55.05502	30.2
56.96550	12.8
57.06837	9.1
57.07067	100.0
57.11292	6.7
59.04968	8.3
67.05483	41.0
67.36307	6.8
69.07056	30.3
75.66523	7.0
79.05101	9.1
79.05466	64.2
81.07024	49.8
83.04956	20.2
83.08637	21.0
91.05482	53.3
93.07030	97.6
95.04944	10.2
95.08585	45.9
105.07030	49.1
107.04953	17.1
107.08583	44.7
109.06487	8.8
109.10138	25.5
111.08156	9.3
119.08549	72.5
121.06516	18.8
121.10125	44.6
123.08067	13.6
123.11710	9.4
131.08563	13.4
133.06519	21.3
133.10098	59.9
135.11714	33.0
142.07794	12.4
143.08562	14.7
145.10094	12.4
147.08054	24.6
147.11694	24.4
149.09573	11.7
149.13248	13.3
157.10109	33.9
161.09586	78.5
173.13496	8.2
175.11188	47.5
175.14772	19.8
179.10628	15.7
182.63959	10.4
184.12395	9.6
199.14952	13.6
201.16298	10.3
203.10661	22.3
217.15898	40.6
221.11705	48.2
228.55750	9.6
231.17458	12.3
235.17070	10.4
259.16928	27.4
274.11710	10.4
277.18130	46.3
277.21591	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.0
57.06801	3.4
57.07067	64.1
57.37012	1.9
59.04984	4.5
74.53058	2.4
91.05455	5.3
91.71600	2.7
93.06998	2.9
100.30399	2.3
105.07031	6.3
108.38380	2.5
109.77266	2.6
117.07014	3.5
119.08576	2.9
120.92574	2.9
121.06527	5.0
122.38775	2.6
128.30518	2.8
131.08563	2.8
131.98111	2.2
133.10107	4.9
135.08044	9.2
137.05931	5.3
161.05975	7.2
161.09592	100.0
163.07535	10.3
165.05458	12.9
175.11140	16.2
179.10698	9.7
186.22058	2.9
188.87630	3.0
203.10646	40.1
217.12114	3.4
219.13823	10.8
221.11678	31.0
236.08966	2.8
262.14484	3.3
263.52612	2.8
277.17984	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	277.1798
Annotation	Buddledin A
Peak:m/z	Relative Intensity
56.96549	8.1
57.07070	61.1
69.39531	3.5
74.96314	4.2
95.08637	3.8
107.04912	4.4
115.44803	3.5
121.38428	4.7
129.01825	4.7
133.04971	7.6
134.57750	4.0
135.11757	4.1
157.05008	20.4
179.10687	28.9
235.16927	93.7
249.74794	4.3
262.10574	4.5
277.17963	100.0
278.09808	4.0
299.02792	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	277.2162
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
54.18371	9.0
55.05502	23.8
57.07051	19.2
67.05491	36.5
69.07049	15.2
79.05481	43.9
81.07056	50.3
86.52379	10.6
91.05458	26.8
93.07020	73.9
95.08604	34.3
105.07072	18.6
107.08596	48.4
109.10173	31.7
121.10172	54.3
126.18583	11.6
130.08179	10.0
133.10139	15.3
134.49585	12.0
135.11684	26.3
139.49971	14.0
149.13232	15.4
161.21252	14.2
179.29181	13.6
235.16974	34.3
277.18811	17.9
277.21655	100.0
277.94019	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.97129	2.7
54.59957	2.3
55.05494	17.2
57.07063	4.4
67.05233	2.4
67.05496	29.5
69.07055	21.7
69.72919	2.4
78.65507	2.7
79.05475	75.5
81.07043	35.7
83.08598	4.6
85.06585	2.8
91.05479	30.9
93.07025	100.0
95.04969	13.2
95.08595	27.4
96.90544	3.3
97.10160	5.8
105.07038	14.7
107.08578	47.9
109.10152	9.0
117.06985	3.9
119.08536	7.2
119.49207	3.0
121.10141	49.2
123.11674	3.4
129.06990	3.4
132.18164	3.4
133.10104	11.6
135.11681	54.0
136.78383	2.9
140.27271	3.0
147.11740	5.5
149.13272	12.4
161.13199	3.9
163.14758	4.4
167.10774	3.1
171.11774	4.4
175.71805	3.3
277.21609	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	277.2161
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
55.05530	8.1
56.95279	6.7
57.07082	26.3
66.14996	7.0
67.05499	9.4
68.26009	9.7
69.07052	22.6
81.07076	14.6
85.06651	7.7
91.05499	11.0
93.07084	11.8
95.05014	11.4
95.08610	24.8
97.82626	8.7
105.07066	13.2
107.08623	9.4
113.09679	16.7
119.01361	8.1
119.08619	15.1
121.10152	12.8
133.10226	12.0
149.09683	22.3
235.16991	37.7
241.81770	9.7
271.57300	10.7
277.18173	29.3
277.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.86567	10.8
54.60106	10.7
55.05499	35.9
56.82942	14.0
56.96554	22.1
57.07062	21.1
67.05492	61.7
69.07052	44.8
71.04988	13.7
74.58935	12.2
79.05470	43.8
81.03379	22.2
81.07048	83.3
83.04982	28.1
83.08587	13.7
85.06522	17.4
91.05476	22.1
93.07031	92.6
95.08594	67.0
105.07025	47.1
107.04912	19.0
107.08619	81.6
107.92181	13.3
109.06464	35.8
109.10153	56.1
109.59244	12.9
119.08594	58.6
121.10161	83.6
123.11703	27.8
133.10146	65.5
135.08113	22.1
135.11647	37.0
137.09633	22.3
147.11687	20.1
149.09647	15.3
151.11208	19.2
161.09685	20.7
161.13300	18.4
175.14775	28.1
187.46060	16.1
203.14310	55.4
217.19511	34.6
235.16890	29.0
237.10448	17.2
241.19411	23.6
259.20416	68.8
277.17938	43.1
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	3.0
56.96547	6.8
57.03418	6.5
57.07065	6.0
58.99572	10.4
65.03931	5.5
67.05495	33.9
70.06579	17.4
70.26487	3.6
72.08136	4.7
76.02217	14.5
76.03998	18.4
84.04493	8.5
84.08137	15.4
85.02885	3.8
86.09715	6.0
86.99030	11.6
88.03979	28.6
93.07027	7.2
95.04958	40.1
96.91100	3.6
97.02874	6.1
98.01041	3.5
100.02175	4.7
105.00085	13.3
113.05997	100.0
120.08099	8.3
122.02713	40.2
130.08643	4.1
139.07538	10.6
146.02745	5.2
147.07664	15.0
148.07928	7.1
149.02370	9.4
149.90147	4.2
162.05568	5.9
164.07004	4.0
172.04274	4.2
190.04968	4.5
223.81519	5.5
237.05495	4.8
260.09375	6.7
278.10306	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11399	2.9
56.05012	3.2
56.96550	3.4
58.99589	5.1
64.78728	2.8
67.05492	10.9
69.07075	3.6
70.06565	4.4
72.08138	4.8
73.02892	4.2
74.00654	61.8
74.53583	3.6
76.02220	4.2
79.05479	7.0
81.07052	21.1
81.29353	3.0
85.01122	25.3
85.02875	3.1
86.00614	5.7
86.09708	4.0
88.02214	3.7
88.03964	22.4
89.00599	8.2
89.93210	2.6
91.05490	20.0
92.01682	5.1
93.07040	43.4
95.04975	6.4
95.08584	8.5
96.08810	2.9
97.01135	4.0
98.97581	9.1
99.78606	3.5
100.02197	5.0
103.95951	3.6
109.06538	4.3
110.09707	2.9
111.04427	3.6
116.98613	5.3
120.01161	100.0
121.06498	6.4
122.02711	6.4
125.04202	16.5
127.05746	5.7
129.00092	9.0
132.01152	14.7
137.05934	7.3
139.07538	4.6
140.01617	10.0
146.02670	5.7
149.02342	8.0
153.03674	8.2
159.56932	3.4
171.04735	18.8
174.02180	3.9
186.02087	6.0
196.07855	4.3
204.77583	3.6
214.08911	12.1
221.01176	3.1
224.72679	3.5
242.08441	26.0
260.09460	28.6
278.10352	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	278.2112
Annotation	Neostenine
Peak:m/z	Relative Intensity
57.07065	3.8
57.65240	1.3
57.81572	1.0
67.68579	1.1
69.07043	1.6
82.00584	1.1
91.05476	3.2
91.71073	2.8
103.05452	16.7
115.01012	1.1
115.05453	2.4
117.07024	13.4
123.04432	4.9
131.04921	42.1
131.08557	2.8
135.08023	1.5
136.13049	1.2
137.05978	8.4
145.06480	21.9
149.02365	6.3
149.05969	100.0
151.07501	1.9
159.08029	4.1
163.07524	36.9
177.09109	5.0
234.60210	1.4
261.18463	28.2
278.21121	66.5
279.15393	2.3
290.43924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31253	0.8
56.05024	4.9
56.33064	1.2
57.07067	5.2
58.06590	9.9
60.04504	2.8
69.07046	1.3
70.06569	1.5
71.08604	3.8
72.08125	2.8
74.06072	6.8
86.06061	6.5
88.07620	43.1
88.08164	2.4
89.05987	0.9
100.07646	1.4
104.07114	4.8
118.08640	2.0
132.10190	9.7
132.58694	0.9
149.02332	1.8
162.11241	2.5
166.10754	2.7
186.18518	48.0
230.21132	13.8
277.10608	1.0
278.23233	100.0
279.23480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.3
56.96339	5.0
56.96563	54.0
57.03410	4.7
57.07067	5.3
58.06586	8.9
60.08151	13.6
63.16767	4.4
67.05499	52.0
69.07072	8.8
71.07355	12.3
79.05482	12.6
81.07044	48.7
86.09699	100.0
86.49081	4.4
91.05469	7.3
93.07040	19.0
95.08597	42.0
97.08732	4.9
97.99210	7.1
98.98442	10.6
104.10735	54.5
105.07037	11.3
107.08578	13.7
109.10155	13.9
110.64952	4.7
121.10144	6.0
123.11693	9.7
124.99998	57.6
128.84288	5.3
131.00233	6.5
131.08531	8.4
145.10165	6.4
149.01347	5.3
149.02342	28.7
149.13203	8.5
154.01749	8.9
154.94182	7.4
163.14815	6.9
181.02647	22.7
184.07359	50.9
195.96878	7.2
198.96703	7.6
218.98445	6.5
228.56125	4.9
238.36320	5.5
240.09978	72.6
243.21024	7.4
244.99855	5.8
261.22232	10.0
278.24741	10.5
279.09091	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	279.0797
Annotation	2-(3'-(5'-Hydroxyindolyl)methyl)-1,3-thiazolidine-4-carboxylic acid
Peak:m/z	Relative Intensity
56.96560	1.7
57.07067	16.3
65.03930	3.2
69.07061	1.2
70.06564	5.7
70.16189	1.1
72.08140	1.7
84.04469	2.4
84.08107	5.7
86.09676	6.2
91.05463	1.4
98.97588	1.7
104.99218	1.6
116.98605	1.3
121.02851	5.1
129.10223	1.7
146.08386	1.8
149.02332	100.0
150.24136	1.3
167.03371	1.8
168.08156	1.7
174.07863	4.0
181.02774	1.4
190.05022	6.8
192.04713	2.1
207.05846	4.5
219.05775	14.6
233.07411	19.8
279.07913	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.091
Annotation	Sulfamethazine
Peak:m/z	Relative Intensity
51.59363	0.9
55.37033	0.9
56.96561	1.6
57.07069	13.9
65.03932	3.0
67.13100	1.1
68.05001	3.0
68.20185	1.3
70.06573	3.6
84.08115	4.9
86.09674	1.6
93.04530	2.1
98.97574	3.1
99.02655	3.2
102.03734	4.0
110.07132	2.0
113.34064	1.2
115.02118	3.5
116.98600	1.8
117.03625	1.2
121.02854	4.0
121.03973	1.9
126.03731	4.8
135.06677	6.4
136.05061	3.2
138.06575	4.0
141.04858	2.0
144.04784	2.5
147.04399	2.5
149.02332	62.5
152.04050	2.0
158.01279	1.5
159.05858	2.7
163.06105	3.8
167.03352	1.3
179.05109	1.6
183.05815	6.7
190.04984	2.6
200.02237	2.1
210.06900	3.1
219.05478	1.9
220.07758	9.1
232.83566	1.4
233.08598	1.7
251.09599	17.6
256.43430	1.8
261.08105	2.7
279.09073	100.0
298.20947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Pantetheine
Peak:m/z	Relative Intensity
52.58231	0.9
54.61873	1.0
54.65087	1.0
56.96565	6.6
56.96795	1.2
57.06797	1.4
57.07071	20.3
60.04515	1.5
61.00888	1.2
61.01145	14.0
65.03928	2.4
67.05506	2.1
70.06562	4.0
71.04987	1.8
71.06071	1.4
72.04140	1.7
72.04510	20.0
72.08127	1.2
73.67583	1.1
78.03776	23.4
83.04955	1.3
84.08140	3.1
85.06541	2.8
86.06063	1.2
86.09684	2.8
87.13855	1.3
88.02203	5.6
92.46821	1.3
93.03411	1.3
95.04995	2.9
98.97581	14.5
99.05586	1.5
102.03767	35.7
103.07576	1.6
109.08624	1.3
110.97582	2.3
113.06026	2.1
114.03780	2.0
116.98601	9.5
120.04803	3.9
121.02852	6.7
128.98616	2.7
130.08630	1.5
131.06369	17.5
132.04788	15.8
134.99646	5.4
140.00215	9.2
142.08658	2.9
146.99660	2.9
149.02338	100.0
149.07439	90.0
152.00183	3.3
158.01259	9.1
158.99704	4.8
159.05923	1.5
167.03368	1.4
169.31839	1.3
170.01262	2.5
170.99673	2.4
171.22823	1.7
172.95222	1.6
177.00732	4.2
181.02881	8.2
184.09822	1.6
189.00748	2.9
190.05019	5.0
193.02902	3.3
195.24863	1.4
195.96687	1.6
200.02353	12.1
212.02264	4.8
219.01752	1.9
219.05806	1.4
230.03418	4.8
242.03342	1.7
261.12680	25.5
279.09164	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	279.159
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
50.97229	0.2
53.00292	0.4
56.51665	0.2
57.07069	25.8
57.36959	0.2
65.03926	2.4
71.19181	0.2
75.96651	0.2
77.79025	0.4
77.79416	0.3
93.03400	0.6
111.04457	0.4
121.02047	0.4
121.02868	5.9
121.03961	0.9
122.26343	0.2
137.51665	0.2
140.00247	0.2
143.70518	0.2
143.83446	0.2
149.02332	100.0
150.02637	0.5
167.03407	1.4
190.04971	4.0
205.08534	0.4
223.09625	0.6
247.93562	0.3
279.09485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	5.4
58.61115	0.7
65.03930	1.8
119.42219	0.9
121.02840	5.7
129.88695	1.0
137.12602	0.9
149.02330	100.0
171.33844	1.0
190.04968	3.3
205.08698	1.1
266.71094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.68373	0.4
53.00288	0.6
56.05025	0.9
56.05796	0.4
56.96555	0.9
57.06837	0.5
57.07074	5.7
60.04393	0.5
63.16690	0.5
65.03912	0.9
65.37708	0.5
67.05485	0.8
69.03378	0.6
69.07056	12.8
70.06585	3.3
70.06905	0.5
72.08167	1.0
78.22395	0.5
81.07002	0.6
84.04523	0.7
84.08132	1.4
84.34915	0.5
84.90186	0.6
86.09695	100.0
87.09989	0.7
91.05478	0.7
95.08604	0.8
97.02899	0.5
102.03773	0.7
107.04910	1.2
120.08092	7.7
121.02882	2.1
136.03899	0.6
139.15092	0.6
147.04414	0.8
149.02327	33.7
149.07397	1.3
158.01323	0.6
163.03931	1.0
166.08644	4.3
167.03452	0.6
167.32513	0.5
183.73065	0.6
190.05009	2.1
218.78383	0.6
279.09387	1.1
279.17126	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
56.96548	1.2
57.07064	6.3
65.03931	2.0
70.06583	1.9
71.04987	1.0
72.08141	0.7
76.54507	0.8
84.95963	0.9
86.09696	100.0
90.23228	0.8
93.07038	1.1
102.43462	0.8
103.05476	1.9
107.04955	1.6
120.08096	32.5
121.02859	2.2
148.81866	0.9
149.02330	39.7
166.08604	7.2
190.04985	2.0
219.05841	2.0
243.56877	0.9
271.77579	1.0
279.09265	2.0
279.17001	3.5
279.29440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20663	1.8
51.08867	1.8
52.65369	1.9
55.05516	2.4
57.07071	26.0
59.73228	2.0
62.25569	1.9
65.03948	3.1
67.05506	6.4
74.52731	2.2
76.18610	2.1
79.05479	15.4
80.94869	3.3
81.07080	3.6
81.30309	2.4
85.06580	2.5
91.05512	6.9
93.07060	3.5
95.04977	4.9
95.08604	3.5
101.62840	2.3
102.72142	2.4
103.05447	14.5
105.07027	94.4
107.08591	4.6
108.88349	2.4
117.05385	2.6
117.84757	2.3
120.78168	2.5
121.02890	5.7
126.89637	2.6
133.06482	44.7
135.08047	68.0
149.02336	100.0
151.07562	14.8
158.01398	3.1
190.05023	7.3
199.60667	2.7
219.05775	6.5
279.09378	4.7
279.19025	4.3
291.24390	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	279.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.42363	1.2
57.07055	3.0
60.04404	1.0
62.55107	1.2
77.03889	1.6
79.05484	20.6
84.06142	1.3
87.51399	1.1
91.05470	1.7
95.04948	7.3
103.05462	14.9
104.99273	1.4
105.04509	2.1
105.07024	100.0
107.08593	5.6
108.74109	1.2
133.06490	56.6
135.08046	89.9
142.34544	1.2
149.02315	7.1
151.07533	17.1
155.89607	1.4
164.10565	1.5
174.09123	1.9
214.88390	1.6
279.09464	2.0
279.17847	3.2
282.97897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15186	1.7
55.05498	2.2
56.96563	2.3
57.07066	24.0
65.03951	1.8
67.05499	12.1
69.07066	9.3
78.37463	1.9
79.05486	4.4
81.07058	11.5
82.70360	2.1
83.04931	2.3
91.05479	6.7
93.07044	7.1
95.04961	6.0
95.08588	5.1
97.06521	2.2
105.07015	7.2
107.08560	3.9
109.06520	2.5
116.98708	1.9
119.08578	3.3
121.02872	6.4
123.09731	1.9
123.11651	2.1
128.76097	1.9
129.07018	1.8
133.10130	4.1
135.08018	2.3
145.10072	2.5
147.11682	2.0
149.02327	100.0
149.09644	4.8
171.62534	1.9
175.11250	2.1
189.68550	2.1
190.05029	8.5
219.05640	4.6
279.09497	5.2
279.16821	2.4
279.19519	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	279.1955
Annotation	(+)-Ro 09-1544
Peak:m/z	Relative Intensity
57.07080	14.8
60.50440	2.8
63.38927	2.8
67.05482	16.4
69.07075	5.3
71.04987	8.5
72.66837	2.8
73.75266	2.6
74.64676	2.8
79.05473	16.2
81.07049	23.8
83.04972	6.5
83.97504	3.2
85.06546	3.7
91.05502	14.5
93.07047	25.2
95.04958	8.4
95.08625	8.8
105.07043	19.8
107.04967	4.6
107.08569	18.5
109.06573	11.0
117.07065	8.6
119.08621	12.6
120.31403	3.8
121.06506	7.4
121.10195	14.1
123.08076	5.5
129.06990	4.0
131.08591	18.0
133.10176	7.9
135.08157	4.5
135.11647	4.4
145.06442	4.0
145.10114	28.4
147.08130	5.5
147.11743	4.7
149.02354	41.1
149.09616	37.6
151.11270	7.2
163.11157	20.7
173.09727	5.2
187.11203	4.9
191.10851	5.4
211.14877	6.1
219.05698	5.1
219.17435	5.2
223.13354	6.1
229.15947	5.7
237.14853	4.6
247.16951	9.4
261.18521	6.1
279.19510	100.0
296.88718	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	279.1954
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
52.30157	2.4
52.91659	2.2
53.39896	2.2
55.01855	4.2
55.05494	5.9
56.43108	2.5
57.07064	18.1
67.05497	22.3
69.07063	9.7
70.97341	2.5
71.04992	9.7
74.12498	2.5
79.05485	22.9
81.07056	38.7
83.04964	4.2
83.08568	3.5
88.51704	2.8
91.05469	23.7
93.07036	33.0
95.04956	11.5
95.08615	13.4
95.33850	2.7
97.06528	7.7
105.07023	32.8
107.04951	4.0
107.08587	21.4
107.46503	3.0
109.06521	21.1
109.10199	3.4
117.07025	14.7
119.05204	2.6
119.08578	16.7
121.02874	6.5
121.06513	12.2
121.10146	9.5
123.08085	7.8
127.03066	2.4
130.40321	2.8
131.08556	16.2
132.05148	2.6
133.06512	7.0
133.10115	11.0
135.08052	15.6
135.11697	5.9
135.99806	2.7
141.07013	5.2
143.08600	5.4
145.10112	16.9
146.13231	2.9
147.07956	3.5
147.11707	4.3
149.01193	5.8
149.02336	75.3
149.09688	12.8
151.07417	3.2
151.11169	3.1
157.10091	4.1
159.11700	14.3
161.09677	3.7
163.11156	9.1
169.10152	6.8
171.11821	3.1
173.13208	2.9
177.12737	10.3
187.11203	11.1
190.04996	3.7
201.12862	3.2
205.12222	8.8
219.05516	2.7
243.17448	9.8
261.18469	49.1
279.09308	6.7
279.19543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
51.46600	2.7
52.92430	2.6
55.01857	7.1
55.05507	15.3
57.07069	20.4
64.11340	2.6
65.44884	2.8
66.84848	2.7
67.05488	36.1
69.03410	3.0
69.07060	37.8
70.14742	2.8
71.04984	6.3
79.05482	20.9
81.07048	43.6
83.04965	11.7
83.08616	7.0
85.06512	3.7
85.10993	3.1
91.05475	23.9
93.07027	31.8
95.04973	20.6
95.08587	31.7
96.93438	3.0
97.06532	4.8
104.99162	3.3
105.07018	31.4
107.04948	8.6
107.08575	17.7
109.06519	13.5
109.10143	14.6
111.76707	3.3
117.07006	9.6
119.08585	17.4
121.02856	5.8
121.06445	19.4
121.10143	12.1
123.08093	5.5
123.11710	5.5
129.07022	4.4
131.08559	26.5
133.10121	19.0
135.08011	4.7
135.11687	9.3
143.08554	5.2
145.06503	3.5
145.10110	19.9
147.08067	4.2
147.11670	12.7
149.02327	100.0
149.09598	9.7
151.11182	10.8
157.10115	3.5
159.11638	10.4
163.11166	12.4
163.14877	3.1
165.12633	3.1
168.31265	3.0
173.09645	3.7
175.11307	3.4
177.12599	5.7
187.11237	4.9
190.04947	4.1
191.17958	7.6
192.16916	3.6
193.12416	4.9
209.20024	3.8
213.56520	3.8
215.17989	6.2
219.05656	6.4
225.16493	3.2
233.18953	4.5
243.17503	14.9
261.18451	81.0
279.09357	9.1
279.19443	48.1
279.28030	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05486	7.2
57.07061	9.3
65.03921	4.9
67.05496	95.6
69.07062	6.5
79.05495	6.1
81.07050	100.0
83.08615	8.0
93.07028	11.6
94.33633	2.8
95.08598	69.4
97.00539	4.9
97.06548	3.2
97.10140	2.6
100.09310	2.9
104.99284	6.5
105.07047	3.3
107.08596	5.2
109.10152	44.7
121.10161	5.3
123.11699	24.1
135.11682	4.2
137.13298	9.6
140.56583	3.2
145.10156	3.4
149.02335	51.3
180.36575	3.0
190.04984	4.1
219.05640	7.3
279.09320	8.3
279.23120	25.6
292.83865	3.0
293.48145	3.5
301.49884	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
55.05496	8.2
57.03410	2.4
57.07066	10.3
65.03909	4.9
67.05493	97.4
68.74562	2.2
69.07059	9.0
71.04982	2.7
79.05487	10.9
80.94819	2.5
81.07044	100.0
82.07407	2.3
83.08609	5.3
91.05463	3.7
93.07044	12.6
95.04971	2.8
95.08597	92.5
105.06984	5.0
107.08549	6.9
109.10152	29.2
111.85706	2.5
123.11694	16.3
131.08566	6.2
135.11696	7.4
137.13266	12.1
149.02327	53.6
149.13243	4.9
151.14853	5.6
163.14783	3.9
170.17744	2.8
173.13345	5.2
187.15007	2.7
191.14212	3.4
223.16899	3.0
239.08766	3.7
279.09354	3.3
279.23145	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.25353	4.0
53.30175	3.7
55.05506	8.6
56.96556	9.0
57.07069	19.9
58.87673	3.3
59.79136	3.8
67.05492	100.0
69.07065	8.6
71.32741	3.3
79.05477	11.9
80.94839	10.6
81.07045	90.4
83.08604	5.1
90.26882	3.5
91.05444	7.3
93.07031	16.7
95.08593	81.0
96.47054	3.9
105.07042	4.4
107.08590	7.5
108.32050	4.4
109.10146	31.2
121.02873	4.9
121.10140	4.9
123.11720	15.0
131.08575	10.7
135.11717	6.9
135.36450	4.5
137.13251	8.3
149.02328	97.7
149.85197	4.4
151.14856	4.9
173.13182	6.3
179.06979	4.4
190.04970	5.2
214.32918	4.5
214.34860	4.6
219.05765	8.0
279.09348	12.4
279.23178	21.8
287.24939	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	279.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	2.6
61.27089	1.1
63.85832	1.8
68.04990	1.3
70.06573	2.0
80.05021	3.1
82.06554	1.5
84.08118	1.5
91.71640	1.2
92.04989	5.3
94.88245	1.3
106.05903	1.3
106.06553	17.0
107.07330	28.7
108.04439	1.2
109.05227	4.5
119.37621	1.3
129.37526	1.1
134.06056	1.3
135.06746	1.6
148.61913	1.2
149.02327	16.9
150.02670	1.7
168.85092	1.2
181.85637	1.3
233.97728	100.0
249.18044	1.6
258.66003	1.5
261.97235	27.7
279.98264	93.7
295.14713	1.4
298.83572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	85.4
57.07073	27.3
58.05446	7.9
65.03975	6.3
67.05509	10.4
79.88794	8.3
95.47243	9.1
96.14899	7.2
97.68937	7.4
104.12150	8.2
137.57938	8.2
149.02310	100.0
150.02724	30.1
180.02638	8.2
213.08121	16.5
236.09462	40.3
239.08983	28.7
254.10718	27.1
257.07117	9.5
277.12454	35.5
280.08548	48.8
298.09775	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	280.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14006	1.3
55.01867	2.7
55.05503	3.4
56.05038	1.9
58.99572	4.4
59.26213	1.3
61.01146	3.0
67.05494	6.1
69.07050	3.7
70.06579	1.4
70.99605	1.2
71.08606	1.4
73.02904	4.7
74.00662	45.1
74.02436	1.8
77.06955	1.3
81.07033	2.3
83.08613	1.7
84.08153	1.4
85.01118	5.2
86.00626	1.4
86.99055	3.4
88.02213	1.9
88.03992	7.9
88.78146	1.2
89.00609	5.0
91.05450	1.8
92.01707	3.0
93.07040	7.3
95.08600	32.8
105.00105	2.8
106.43713	1.5
112.11237	4.2
113.09621	3.2
114.00102	1.7
117.00053	1.5
120.01165	100.0
123.08068	3.5
124.53866	1.4
127.05792	5.3
132.01155	2.9
139.38519	1.5
141.09033	1.9
149.02310	3.1
150.02672	4.2
153.07434	1.7
159.10257	1.2
163.00627	2.3
163.65588	1.7
170.09975	3.3
191.89615	1.4
198.09367	2.0
199.07980	1.4
200.27820	1.5
214.16396	1.7
216.10596	7.1
217.08936	3.2
244.10033	14.1
245.08505	4.5
262.11011	12.1
263.09564	7.1
263.11917	1.4
280.12088	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	280.1331
Annotation	Dehydrolirinidine
Peak:m/z	Relative Intensity
55.76649	2.4
56.96553	5.7
57.07066	3.9
71.25644	3.1
80.18825	2.8
83.64122	3.4
84.08124	3.7
90.66750	3.8
91.05473	10.9
93.07034	9.3
103.05463	6.2
107.04939	27.6
115.37749	3.3
121.06494	39.6
130.06537	13.7
132.08078	5.9
134.59938	3.3
143.07326	7.3
144.08086	14.3
146.06078	3.5
149.02304	17.6
150.02682	14.2
158.09628	13.0
168.08084	5.0
173.08330	9.6
186.09167	14.9
239.08955	12.1
252.13641	4.1
261.62015	3.9
280.13327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
53.83877	2.0
55.05478	4.7
57.07050	7.7
58.59545	2.2
60.04492	2.7
67.05495	2.7
69.07055	6.6
70.06569	10.3
70.10243	1.9
71.04967	2.6
72.08147	24.5
74.06045	3.7
75.72366	2.3
81.07025	5.1
84.04485	4.8
84.08141	39.2
85.06515	3.6
86.09700	41.4
90.05530	10.0
91.05472	6.0
93.07018	3.1
95.08547	2.3
97.06513	2.7
99.04445	3.2
103.05457	12.0
107.04984	2.1
107.07315	3.6
117.06996	5.2
121.06497	6.5
123.04435	13.3
129.10240	19.7
131.04930	24.4
137.05954	13.3
145.06480	10.0
147.04399	9.7
149.02344	22.3
149.05962	63.5
150.02660	15.5
157.13385	9.8
161.05978	7.6
163.07550	8.3
164.07042	10.1
165.05479	41.0
175.07558	4.4
183.07965	3.0
185.09622	3.6
209.09410	4.8
217.12245	5.5
226.12001	3.9
227.10669	8.0
233.97690	4.3
253.16707	3.1
261.63184	2.7
263.12692	2.8
279.98242	9.3
280.15424	100.0
281.15570	3.7
283.41345	2.6
283.55396	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	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.7
58.95406	0.7
66.11450	0.8
67.44978	0.7
67.87321	0.7
68.26780	0.7
70.06605	3.0
72.08150	7.9
74.06092	2.9
84.04491	1.3
84.08163	3.3
86.09713	4.0
96.08186	0.7
102.05582	1.6
119.03543	4.6
120.06559	5.7
129.10310	1.1
135.04509	1.0
136.06186	100.0
137.04538	4.9
143.04071	0.9
144.10320	0.8
156.34924	0.9
162.04108	46.6
172.27795	0.9
182.35616	0.9
281.09909	10.3
281.15036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63440	1.9
65.03935	2.7
67.05512	2.2
69.03417	3.8
81.03419	3.2
81.07024	2.8
88.92744	2.1
91.05456	21.8
93.07024	4.0
95.68493	2.3
97.02870	9.4
99.04452	2.9
107.08595	2.8
109.06525	5.0
119.04932	100.0
120.08115	2.4
122.34082	2.3
127.03951	4.7
137.06007	6.1
161.67485	2.5
169.10089	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	281.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04241	2.6
56.25556	1.6
56.96544	1.9
62.98248	4.2
70.06574	4.7
74.06078	2.1
81.04543	16.7
82.05307	7.8
83.46410	1.9
84.08131	4.9
87.05556	2.4
88.03978	2.4
91.05466	2.9
101.34030	1.9
110.07164	2.9
120.08134	3.9
122.07154	23.1
123.07931	100.0
124.08743	2.5
135.00299	3.6
136.06198	8.4
150.02646	2.0
164.72716	3.0
165.01381	3.6
165.07742	6.1
191.81371	2.2
218.08353	3.6
263.13971	4.5
281.10632	50.4
281.15140	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	281.1746
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
55.05494	14.1
56.96580	8.5
57.07049	12.3
61.47697	9.1
67.05481	25.4
69.07045	39.8
71.04988	10.6
75.70451	8.4
79.05471	33.3
81.07039	30.8
81.67101	8.9
83.04977	8.8
91.05470	46.6
93.07033	49.0
95.08591	20.1
99.15485	12.3
104.99222	9.6
105.07027	45.5
107.04963	10.2
107.08582	29.2
109.06498	10.6
111.04480	11.2
111.08060	9.7
116.66270	8.6
117.07010	11.7
119.08591	32.6
121.06516	9.6
121.10165	9.5
123.08071	21.9
129.06978	14.5
131.08582	25.1
133.06509	11.7
133.10130	25.4
135.08072	17.2
137.09523	9.1
138.96127	9.0
143.08548	21.6
145.10120	22.7
147.08031	25.5
161.09615	25.4
161.13306	13.7
163.11185	13.0
177.09114	11.1
179.14383	13.7
185.13269	15.5
196.81587	10.0
221.15495	10.5
245.15343	15.1
263.16443	21.9
280.95306	11.5
281.17416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	brefeldin A
Peak:m/z	Relative Intensity
55.01855	19.0
55.05502	22.5
56.96536	14.6
57.03424	55.4
67.05492	51.3
69.03420	44.3
69.07043	30.7
79.05482	53.6
81.07060	86.9
83.08610	18.4
83.19574	10.6
85.06560	39.3
91.05468	82.7
93.07030	62.4
95.08611	43.9
96.11759	13.5
105.07031	41.8
107.04965	100.0
107.08579	31.7
109.06535	41.4
109.10186	22.3
117.06990	20.1
119.08601	52.6
121.06581	19.6
121.10100	22.2
124.87733	11.6
129.07013	29.0
131.08548	27.4
133.10100	32.2
135.08037	26.8
146.85948	12.3
147.08075	26.1
149.09587	23.5
157.10120	18.2
159.08028	14.8
159.11708	21.3
161.09653	32.7
169.44962	12.7
171.11711	17.0
199.14798	17.7
245.15364	29.4
263.16397	53.7
281.17264	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	281.1746
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.43885	4.7
53.00290	8.2
55.01851	11.5
55.05491	7.5
56.31445	5.1
57.03412	16.6
58.40997	6.0
60.48746	7.3
67.05491	45.4
69.03419	9.1
69.07055	57.8
79.05492	51.7
81.03412	18.0
81.07044	100.0
83.04967	13.2
83.08617	9.8
91.05463	40.1
93.07037	38.6
95.04974	12.2
95.08591	47.5
97.06500	16.4
104.49184	7.0
105.07021	22.6
107.04945	14.1
107.08600	42.9
109.06516	12.8
109.10126	9.6
111.08128	7.3
119.08565	27.0
121.10127	24.0
123.08046	22.7
125.09613	18.6
129.07005	9.5
131.08578	22.1
133.10028	14.3
135.08073	7.0
135.11649	8.1
137.09618	16.6
143.07034	13.9
145.10124	8.2
147.08038	10.2
147.11768	7.9
153.09085	29.8
157.10103	13.3
161.13306	9.1
165.09116	14.1
171.11638	9.6
173.13312	14.1
180.61734	7.3
186.28174	7.9
189.16357	8.9
199.14670	13.2
217.15837	12.9
245.15280	16.5
263.16440	25.0
276.34241	6.5
281.13785	7.1
281.17371	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	281.1747
Annotation	CHEBI:68220
Peak:m/z	Relative Intensity
55.01851	7.0
55.05509	10.9
57.07082	9.2
58.70234	4.7
60.08130	5.2
67.05496	21.0
67.22437	5.3
69.07054	19.3
79.05491	15.0
80.50105	5.7
81.07047	23.1
83.04945	10.1
85.06525	10.9
87.69911	5.7
91.05483	53.1
93.07034	16.2
95.08631	15.1
96.24743	5.2
97.06549	8.3
105.07043	16.4
107.08607	17.6
109.06525	12.9
109.10150	14.0
117.07017	7.8
119.08588	61.3
121.10113	13.4
123.08106	10.5
125.05989	7.1
131.08554	7.5
133.10144	25.1
135.08078	13.5
135.82225	6.8
137.06006	20.9
137.09647	8.5
143.08466	6.7
147.08025	100.0
147.11661	12.3
149.09642	18.8
151.11194	10.9
157.10162	7.8
161.09651	25.2
165.09099	54.1
170.11012	6.7
175.11227	15.4
179.10692	6.6
217.15923	21.6
235.16933	20.6
236.69080	6.6
246.38045	6.2
253.17989	35.1
263.16428	47.3
281.17514	81.6
281.20520	7.3
283.92786	7.4
286.29547	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	281.1746
Annotation	CHEBI:68220
Peak:m/z	Relative Intensity
55.01865	7.1
55.05498	4.0
67.05480	4.7
67.48540	2.7
69.07058	5.7
71.04984	17.9
71.08613	6.3
79.05482	3.1
81.07050	11.7
81.60876	2.7
83.78627	2.9
91.05482	7.0
93.07040	8.6
95.08602	9.1
97.06545	3.4
105.07028	9.5
107.08605	3.8
109.06536	8.7
109.10116	2.9
111.04423	3.3
114.12851	3.2
119.08603	7.3
121.10151	3.7
123.08028	8.8
131.08635	4.1
133.10118	6.0
135.08038	7.3
139.03909	3.4
143.08614	3.7
147.11736	3.6
149.02402	3.1
151.07574	7.9
152.08368	5.0
161.09650	3.8
163.07497	4.2
165.09094	15.7
175.11195	4.8
177.92336	3.1
178.09918	3.2
179.06938	3.8
193.08524	4.8
205.08621	5.3
207.13805	5.6
208.14597	8.4
209.15340	4.1
221.15451	10.0
235.16864	24.3
263.16370	58.0
281.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
55.01828	7.0
55.05486	5.0
56.96555	4.8
66.25155	5.5
67.05490	11.7
69.07063	11.3
71.05007	4.9
73.76305	5.1
79.05476	19.5
81.07047	15.5
81.25191	5.9
85.22444	5.1
89.17090	6.4
91.05468	33.2
91.71706	6.9
93.07056	38.6
95.08613	12.4
105.07021	31.4
107.08583	19.2
109.06535	6.5
117.07011	9.8
119.08538	35.6
121.06555	13.5
121.10139	13.0
123.08071	24.1
126.32201	6.5
129.07002	11.2
131.08609	16.1
133.06461	6.8
133.10086	11.2
135.08054	18.6
137.09644	11.6
143.08585	12.2
145.10045	8.0
146.92003	6.8
147.08061	25.2
159.11746	12.7
161.09644	27.2
161.13231	15.3
177.12767	8.8
179.14337	8.1
185.13240	8.0
194.85309	6.5
203.14352	10.0
219.17458	11.0
245.15205	7.5
257.57556	8.0
263.16345	12.6
275.80600	9.0
280.95218	7.1
281.17422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1901
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05495	33.5
55.98602	19.6
57.07065	53.2
59.39174	20.0
67.05505	29.2
69.07037	29.3
71.08631	44.3
80.65381	26.7
81.07047	59.9
85.52153	21.5
91.05481	25.2
93.06998	30.4
95.08597	49.1
105.07075	25.4
107.08587	47.9
107.94204	22.3
109.10155	36.6
135.08130	43.8
144.67308	26.1
247.40309	26.6
281.18951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0971
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
50.45574	1.8
51.09110	1.4
55.29885	1.7
56.18280	1.6
56.93122	1.8
67.03279	1.7
67.79419	1.6
91.05470	9.3
92.20692	1.8
104.11022	1.8
119.04971	4.5
121.06563	2.5
123.28521	2.5
134.06090	2.4
134.76231	2.2
137.05974	30.6
139.80920	2.0
156.98468	2.2
161.05948	3.0
162.05499	4.6
173.05991	2.8
190.08684	8.3
209.35263	2.2
218.08107	100.0
228.79776	2.1
236.09166	69.1
264.08627	10.1
282.09689	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.8
56.96563	5.1
57.03445	6.4
57.03938	4.0
63.22959	4.1
69.03439	8.4
73.02921	8.9
81.04549	6.8
85.02928	18.2
88.07623	29.6
90.02131	4.9
137.05984	10.1
150.07736	100.0
156.39648	5.4
169.36124	5.1
196.04741	6.8
196.06390	11.8
200.67183	5.1
218.08063	11.9
236.09236	11.9
282.04843	10.5
282.09555	7.9
282.12253	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	282.1853
Annotation	(E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone
Peak:m/z	Relative Intensity
65.07338	1.3
72.25463	1.1
75.31683	1.1
81.07025	1.3
91.05481	3.3
93.07014	4.1
95.77806	1.4
100.52724	1.3
103.05433	1.7
104.04971	3.7
105.07069	2.8
106.06528	2.6
107.04939	18.3
115.05446	1.9
117.05758	5.5
118.06520	6.2
119.07313	7.9
120.08110	7.3
121.06507	25.2
125.57004	1.5
131.07277	2.9
132.08101	25.5
133.08861	12.9
134.09644	1.8
142.37601	1.4
146.09659	12.3
162.12726	1.7
174.12675	1.6
175.13522	5.2
196.96201	1.5
199.69756	1.7
226.12268	30.2
235.72784	1.7
240.13777	16.9
282.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Oleamide
Peak:m/z	Relative Intensity
50.69331	1.9
53.00299	2.1
53.03955	2.6
54.94443	2.1
55.01844	6.0
55.05261	3.6
55.05507	48.6
57.03437	2.3
57.06809	3.2
57.07068	52.5
58.06576	5.3
58.22534	1.9
67.05498	24.8
69.03390	3.3
69.07060	100.0
70.06577	3.6
71.04962	2.7
71.08260	2.6
71.08624	32.8
72.04491	6.3
72.08130	8.3
73.70513	2.0
79.05463	9.5
81.07050	43.2
83.04961	4.9
83.08615	76.7
84.08118	2.9
85.10201	13.6
86.06052	12.7
86.09693	5.5
87.23735	2.2
93.07030	23.2
95.08598	41.1
96.08073	2.9
97.06529	22.4
97.10163	57.7
99.08067	3.3
100.07609	21.9
107.08608	16.1
109.10169	18.0
111.08078	14.9
111.11708	21.4
114.09151	18.8
121.10131	24.0
123.11668	8.5
125.09615	10.5
125.13268	5.9
128.10701	12.7
135.11670	20.0
137.13260	3.5
139.11143	7.3
141.12772	2.7
142.12221	6.4
149.13229	11.4
151.14885	3.4
153.12730	3.7
156.13786	3.4
163.14775	9.6
165.16290	3.9
170.15327	4.8
177.16412	4.1
184.61720	2.6
190.38553	2.2
191.17975	3.5
210.56601	2.4
212.20100	3.2
227.46738	2.6
240.07349	2.6
247.24181	26.1
247.82771	2.7
265.25204	28.2
282.27887	93.0
299.64270	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	283.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59439	1.6
56.96570	2.0
61.06311	1.4
70.30261	1.5
84.34161	1.5
91.05423	3.4
103.05467	2.8
104.17261	1.5
107.04950	25.4
121.06484	8.9
129.05721	2.4
130.06511	7.7
144.08086	8.0
146.06007	2.8
157.05212	8.5
158.06012	5.8
159.06781	100.0
160.07591	9.6
172.07553	83.9
186.91473	1.7
205.29082	1.7
224.10732	14.9
240.13699	2.8
266.11725	97.8
267.75790	2.0
283.14343	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11292	1.1
55.05491	1.3
56.96549	2.9
57.07067	1.4
65.03894	1.5
67.05496	5.2
69.07041	1.5
70.06578	1.8
71.04989	1.3
71.06844	1.3
72.08145	2.6
74.06033	1.5
81.07061	2.4
83.04931	1.6
84.08132	3.9
85.83010	1.2
86.09679	2.0
87.04488	2.2
89.06022	24.9
91.05489	3.1
93.07041	2.4
95.04960	100.0
95.08612	1.5
97.06549	2.0
99.04453	2.5
105.07042	2.3
109.06520	10.8
109.10194	2.2
111.04437	1.3
117.07018	1.6
121.06483	8.8
129.10262	3.3
130.08652	4.7
131.73351	1.7
133.08606	12.2
133.10138	5.0
135.08003	1.9
136.06145	2.0
139.07472	1.4
140.00194	1.5
149.05959	3.2
151.07535	4.0
155.03397	1.9
159.11638	1.8
163.07475	1.6
171.06506	3.0
177.11253	1.9
181.08592	2.9
191.07068	1.8
191.09335	1.5
191.14360	2.0
208.14644	3.0
209.08151	3.5
227.09093	11.3
237.14896	1.8
265.14362	1.7
283.15179	8.5
294.90521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87658	1.2
55.05520	1.5
56.96550	2.1
61.05232	1.4
67.05486	3.1
67.86772	1.6
69.84007	1.4
70.06583	2.8
72.08143	2.7
81.07040	2.2
84.08138	3.5
86.09680	2.2
89.05527	3.1
89.06030	38.2
91.05502	1.8
93.07053	4.4
95.04963	100.0
95.08608	2.0
99.04438	2.8
109.06509	9.9
109.10133	1.6
119.08574	1.7
120.08137	1.5
121.06516	6.9
129.10252	2.6
130.08652	10.2
133.08615	19.2
133.10104	4.3
135.08066	2.2
137.05977	3.3
149.05980	2.9
151.07527	4.4
152.08372	1.7
163.07626	1.7
171.06596	2.0
177.11229	2.6
181.08482	2.3
199.09650	2.1
208.14708	2.5
209.08087	5.5
227.09174	12.2
253.41568	2.0
255.99612	1.5
283.14969	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	283.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70998	0.4
64.00403	0.4
64.47141	0.4
66.04740	0.4
79.94707	0.4
83.08563	0.5
91.05459	1.2
93.07014	1.2
103.87477	0.5
105.87749	0.5
106.06549	0.5
107.04916	2.2
118.06514	2.4
120.08083	1.0
121.06469	4.0
121.44112	0.6
122.38545	0.5
131.07280	1.2
132.08067	1.8
133.08861	33.3
134.09648	1.2
146.09639	5.0
169.06099	0.6
240.13800	100.0
241.14102	1.2
283.18143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.6
56.96554	11.6
57.07066	10.8
66.47770	11.0
66.52099	8.6
67.05507	13.4
69.07062	24.7
70.06580	100.0
71.04951	11.6
81.07035	25.3
81.44247	9.5
85.06524	12.9
86.09708	22.0
91.71592	19.4
92.68102	9.8
93.07028	18.1
95.04980	12.2
95.08605	21.6
107.04933	27.9
107.08591	16.6
112.40405	9.9
120.08119	20.9
121.06525	15.8
121.10162	18.1
133.10149	21.5
135.11703	14.4
193.13345	12.2
237.18384	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	283.1902
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01858	14.9
55.05507	46.6
59.99063	3.1
67.05486	21.2
69.07042	30.3
71.08646	4.6
79.05489	22.1
80.54903	4.6
81.07044	27.2
83.04969	8.2
83.08609	100.0
91.05471	43.2
93.07031	54.4
95.04959	7.2
95.08601	20.5
97.06504	4.3
97.90662	4.4
99.04476	6.8
105.07040	16.9
107.08589	65.6
109.10181	7.9
111.04434	11.0
111.08097	16.7
113.39897	4.1
117.07009	23.9
119.08594	19.8
121.10175	17.8
123.70245	4.7
125.09613	28.9
125.15315	4.2
126.19225	4.8
131.08569	16.5
132.87315	5.1
133.10153	14.9
135.08072	14.2
135.11736	6.9
136.27597	5.2
137.09639	12.9
139.11205	4.9
145.10089	11.5
147.11700	4.8
149.09593	28.3
153.09120	22.4
174.47169	4.8
201.16341	31.3
208.70586	4.8
219.17401	66.2
233.88983	5.2
247.16919	24.5
265.17999	20.4
274.40906	5.0
283.19092	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	283.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	27.6
56.96543	58.0
57.07068	23.8
61.43018	15.9
67.05485	60.7
69.07050	58.8
69.24567	14.1
71.08624	17.3
81.07031	100.0
83.05030	17.8
83.08609	50.1
91.05452	28.1
93.07018	43.4
95.08593	62.7
98.97551	20.9
105.07017	32.9
107.08595	27.7
109.10107	55.2
116.98563	18.2
119.08561	20.8
121.06486	18.7
121.10141	39.9
131.08556	24.5
135.11726	36.1
155.91315	21.2
173.13266	20.9
223.93835	19.8
275.40695	19.8
283.20630	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	283.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	23.6
56.96548	32.9
57.07054	21.4
67.05482	49.0
69.07048	51.5
69.39687	16.1
71.04990	30.2
79.05463	24.3
81.07027	100.0
83.08583	23.4
91.05484	49.3
93.07038	70.9
95.04996	23.4
95.08582	84.4
97.06490	19.2
98.97543	31.0
105.07031	82.9
107.08579	49.7
109.10139	52.0
111.08071	19.0
117.07027	24.9
119.08574	55.6
121.10143	80.7
123.34776	18.3
129.33525	20.3
131.08598	41.7
133.10103	46.0
135.11681	42.0
139.78064	16.0
140.00131	22.4
142.07808	20.7
143.08525	26.2
145.10120	65.4
149.13275	21.1
157.10115	22.4
159.11601	19.4
161.09619	36.1
173.13280	55.9
209.13275	35.7
212.02182	21.8
223.03816	19.0
225.16290	22.5
283.20541	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.263
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.00297	1.3
53.42900	1.3
55.05494	4.4
57.06810	1.6
57.07069	27.4
60.91497	1.4
67.05481	4.0
69.07040	5.6
71.08629	15.7
73.02892	4.2
81.07036	5.6
83.08607	4.0
85.10155	5.8
95.08588	5.8
97.10157	2.5
109.10136	1.9
120.36703	1.6
127.85496	1.6
141.59810	1.6
154.07526	2.2
156.94444	1.8
169.99228	1.7
192.63820	1.6
192.74805	1.9
197.78929	1.7
225.66115	1.6
283.26285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	23.0
57.07059	15.8
59.92471	9.8
66.52660	10.2
67.05498	34.5
69.02639	11.8
69.07059	78.9
71.04979	20.1
71.47509	9.3
76.05020	8.9
81.07050	100.0
83.08613	44.6
93.07037	16.9
95.08591	76.6
109.10152	49.8
111.11737	15.3
121.10114	17.8
123.11692	33.1
135.11708	14.9
137.13284	20.5
146.66693	12.0
149.13316	13.1
160.75024	11.3
200.81763	12.5
242.56165	11.0
283.26242	42.8
302.72742	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.65978	0.4
55.01867	0.4
59.91885	0.4
61.11911	0.4
61.85156	0.4
69.03419	0.4
71.01362	0.4
73.02915	0.5
79.19711	0.4
92.76047	0.4
96.94418	0.4
109.05104	0.5
110.03532	2.8
124.79935	0.4
128.04538	1.5
135.03024	4.0
152.05673	100.0
153.04062	9.9
153.12526	0.4
164.28098	0.5
202.71579	0.5
204.93701	0.5
207.80948	0.5
240.22935	0.5
279.11365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1279
Annotation	Huperzine
Peak:m/z	Relative Intensity
52.85170	2.8
52.91811	2.7
54.16896	2.8
55.36368	2.9
56.96547	3.8
58.63671	2.6
64.90472	3.1
78.32846	3.3
103.05458	7.6
104.43349	3.4
107.04962	25.5
121.06533	4.6
127.60727	3.7
144.08080	23.0
159.06831	4.4
167.47523	4.1
172.07588	22.5
178.07791	10.8
179.08543	11.0
207.08047	22.3
225.09145	7.9
248.10715	40.7
266.11722	100.0
284.29318	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	284.128
Annotation	Huperzine
Peak:m/z	Relative Intensity
55.94753	4.8
60.18588	5.0
75.50763	4.9
85.74046	5.0
86.21458	4.9
91.05476	9.9
91.71078	11.3
93.07047	12.6
103.05511	11.0
107.04951	50.9
116.45433	5.8
121.06504	43.8
130.06514	39.0
133.08940	6.5
136.06142	7.6
144.08113	12.8
157.05272	12.0
159.06778	100.0
160.07445	18.9
172.07568	88.0
173.07985	7.1
179.08563	7.8
206.09770	8.9
212.02322	6.8
222.06198	5.9
224.10721	43.6
240.13969	24.2
266.11719	81.4
267.12042	13.2
271.17871	6.1
284.12735	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	284.1642
Annotation	Buflavine
Peak:m/z	Relative Intensity
59.55366	0.5
67.52140	0.5
73.33947	0.7
75.40141	0.6
86.06084	0.7
91.05468	6.5
93.07039	7.7
95.04954	1.6
103.05457	4.7
105.07009	2.1
106.06525	0.7
107.04943	13.7
117.05762	1.3
117.06995	1.7
118.06547	5.8
119.07312	1.7
119.08588	1.1
120.08088	2.1
121.06497	33.3
129.06996	0.7
130.06509	2.4
131.07286	3.1
132.08087	9.1
133.08859	12.8
134.09612	2.0
142.54305	0.7
143.07364	0.8
144.08038	5.6
145.08856	2.2
146.09637	12.5
147.10376	0.8
158.09583	1.4
159.10371	4.6
164.10687	2.6
172.11272	1.0
176.10660	1.2
177.11470	10.1
178.12177	1.1
190.12254	12.1
239.13097	2.4
240.13771	5.8
266.15411	0.9
275.98358	0.8
284.16409	100.0
285.16626	1.5
291.39307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2946
Annotation	Stearamide
Peak:m/z	Relative Intensity
50.54290	0.8
52.54285	0.9
52.89650	0.7
57.06847	0.8
57.07081	7.4
57.88184	1.2
60.74754	0.9
69.63141	0.9
71.08609	3.5
72.04510	2.7
88.07635	1.5
97.10153	1.0
102.09187	4.9
116.10717	7.4
117.42491	1.0
130.12271	3.4
144.13789	1.2
209.81233	1.0
284.29453	100.0
285.29773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
55.32009	0.8
57.06845	0.7
57.07069	7.0
62.13490	1.0
62.24490	0.9
65.05096	1.0
66.95966	1.1
68.42385	0.9
71.08619	2.0
72.04514	5.9
85.10172	1.3
90.79170	0.9
97.14948	1.1
99.71748	1.0
102.09151	2.6
104.88967	0.9
115.11816	1.1
116.10712	4.1
130.12270	2.9
134.35878	1.1
143.60381	1.1
156.17792	1.1
248.35812	1.0
276.16760	1.2
284.29449	100.0
285.29739	1.9
302.99448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0393
Annotation	Coccineone A
Peak:m/z	Relative Intensity
56.96549	3.6
65.03917	3.4
66.35418	2.4
68.99457	3.1
68.99783	20.0
69.03413	2.8
71.28970	2.4
81.07002	2.9
82.96669	2.9
83.04964	3.7
84.08155	3.6
86.09678	3.0
91.05471	6.0
99.27739	2.9
119.04932	33.0
121.02867	21.8
138.13754	3.2
138.15012	3.6
139.00259	62.1
152.78586	3.1
157.01326	10.1
185.00874	5.1
231.95313	3.6
257.04422	62.4
262.17319	3.5
285.03903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85275	9.8
57.07061	21.0
60.08154	75.6
62.06219	11.0
67.05491	12.6
76.24007	11.1
81.07014	12.2
91.05533	17.5
95.08569	14.2
155.01875	13.9
171.01402	50.5
178.03432	14.3
194.03012	47.8
252.04642	12.9
284.33081	100.0
285.22214	13.4
285.33441	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	7.9
53.74385	6.4
55.05511	13.1
57.07069	17.4
67.05496	84.7
69.07061	19.7
71.04981	30.1
76.16795	6.9
79.05472	13.9
81.07053	100.0
85.06532	15.9
91.05463	16.9
93.07041	26.6
93.72575	8.1
95.08592	30.5
105.07008	12.6
105.11994	6.5
109.10134	22.5
123.11722	15.9
133.10107	18.5
135.11674	9.1
172.51401	8.2
187.13283	14.0
190.48337	9.0
202.94843	7.6
239.19955	29.9
251.26222	8.2
285.20544	9.2
290.68713	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	285.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	32.9
62.61278	18.5
67.05492	57.6
69.07047	26.8
71.04977	95.4
79.05502	26.8
80.03006	20.2
80.25923	20.8
81.07050	100.0
88.45578	24.1
91.05474	28.7
93.07009	36.1
95.08614	56.3
99.08038	23.0
109.10167	30.2
113.05257	21.4
133.10114	31.8
203.17946	28.4
239.20038	43.9
270.72528	24.2
285.20462	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05494	9.3
57.07063	5.9
60.08140	7.0
67.05502	21.0
69.07050	10.2
73.03101	2.7
76.58134	2.6
79.05465	8.7
80.20642	3.3
81.07053	22.3
83.08601	4.4
85.06535	3.1
91.05481	22.5
91.71052	3.9
93.07037	16.8
95.08591	18.9
97.06535	9.8
105.07014	18.9
107.08602	10.9
107.47086	3.5
109.10169	9.8
111.08078	4.6
117.07027	23.6
119.08582	12.8
121.10132	9.7
129.07010	26.1
131.08549	28.8
133.10135	11.4
135.11691	6.9
138.15242	2.8
141.06921	6.7
143.08591	11.9
145.10088	30.0
147.11697	5.8
155.08591	5.6
157.10121	12.4
159.11665	18.0
161.09593	4.5
161.13266	7.4
169.10110	8.7
171.11714	13.1
173.13278	11.5
175.14854	4.3
183.11734	13.6
185.13266	14.7
187.14816	13.4
189.16495	4.6
197.13307	11.8
199.14819	7.5
201.12773	4.0
201.16382	32.0
211.14845	8.6
213.16406	4.2
225.16391	7.8
226.18697	3.2
239.17976	4.9
241.19650	4.0
252.07068	3.5
267.21072	48.7
284.33081	9.5
285.22116	100.0
285.33475	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	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05490	11.6
57.07073	11.3
60.03306	9.4
64.31203	10.7
64.79318	11.1
67.05492	31.5
69.07042	21.2
69.85686	11.4
79.05475	17.4
81.07050	27.6
88.02214	77.3
91.05459	96.5
95.08602	23.4
97.05032	12.6
103.11266	11.4
105.07016	24.0
107.08596	13.5
117.07026	25.9
119.08619	22.1
126.31876	13.0
129.07010	35.2
131.08549	40.3
133.10168	24.0
135.11673	15.9
141.06947	16.3
143.08556	17.7
145.10089	31.8
171.11710	13.8
173.13316	15.7
183.11758	20.5
201.16389	20.5
210.88115	15.1
211.14758	12.5
267.21194	36.9
285.22116	100.0
309.19934	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	285.221
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05491	9.2
57.07065	9.5
60.08156	10.6
60.20017	3.3
67.05501	25.0
69.07057	17.9
71.04990	5.9
71.08640	6.3
77.20502	3.7
77.42956	3.9
79.05480	13.0
81.07053	30.2
82.85986	3.9
83.08622	14.5
91.05479	16.6
93.07043	14.9
95.08583	30.9
97.10159	6.1
99.04472	4.2
105.07030	14.2
107.08593	10.7
109.10168	14.7
115.05414	4.7
117.06992	22.3
119.08596	13.5
121.10106	9.2
123.11694	10.6
129.06989	24.2
131.08556	34.9
133.10074	7.3
135.11691	5.5
141.06963	9.9
143.08524	8.9
145.10127	28.7
147.11636	6.9
149.13139	4.8
155.08525	5.4
157.10132	12.6
159.11644	27.0
162.68181	4.2
165.71564	4.3
169.10094	7.9
171.11707	13.5
173.13303	14.7
183.11786	11.1
185.13341	11.4
187.14867	5.5
197.13303	5.9
199.14804	7.0
201.16316	31.1
211.14828	14.8
213.16502	5.0
225.16476	4.7
241.19556	4.2
267.21045	46.4
276.50085	4.7
284.33191	15.9
285.22064	100.0
285.33481	15.9
299.34210	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	285.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.3
57.07063	5.9
60.08140	7.0
67.05502	21.0
69.07050	10.2
73.03101	2.7
76.58134	2.6
79.05465	8.7
80.20642	3.3
81.07053	22.3
83.08601	4.4
85.06535	3.1
91.05481	22.5
91.71052	3.9
93.07037	16.8
95.08591	18.9
97.06535	9.8
105.07014	18.9
107.08602	10.9
107.47086	3.5
109.10169	9.8
111.08078	4.6
117.07027	23.6
119.08582	12.8
121.10132	9.7
129.07010	26.1
131.08549	28.8
133.10135	11.4
135.11691	6.9
138.15242	2.8
141.06921	6.7
143.08591	11.9
145.10088	30.0
147.11697	5.8
155.08591	5.6
157.10121	12.4
159.11665	18.0
161.09593	4.5
161.13266	7.4
169.10110	8.7
171.11714	13.1
173.13278	11.5
175.14854	4.3
183.11734	13.6
185.13266	14.7
187.14816	13.4
189.16495	4.6
197.13307	11.8
199.14819	7.5
201.12773	4.0
201.16382	32.0
211.14845	8.6
213.16406	4.2
225.16391	7.8
226.18697	3.2
239.17976	4.9
241.19650	4.0
252.07068	3.5
267.21072	48.7
284.33081	9.5
285.22116	100.0
285.33475	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	285.2423
Annotation	Alseodafuranone
Peak:m/z	Relative Intensity
51.84716	3.7
55.05498	10.7
57.03439	29.9
57.06804	5.7
57.07067	83.0
61.54765	4.5
65.34495	3.8
67.05500	25.5
69.07053	25.8
71.04960	5.0
71.08622	56.8
81.07050	23.7
83.08607	11.2
84.47893	5.0
85.10178	20.9
91.71018	8.6
93.45947	4.2
95.08064	6.8
95.08591	33.8
109.10151	13.9
117.43345	4.2
123.11749	5.7
125.28282	5.2
137.13271	6.1
211.20560	11.1
267.20837	5.9
285.21399	9.1
285.24265	100.0
285.33331	10.9
300.94598	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	286.1394
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
57.03416	0.9
70.06580	100.0
72.08141	3.9
73.02908	1.9
76.62601	0.8
79.30064	1.1
84.04471	2.0
84.08116	2.2
88.71896	1.0
91.05471	4.6
112.07593	75.4
116.07073	1.3
119.04971	2.7
121.06421	1.1
123.04473	1.2
129.10231	2.4
137.05965	26.4
138.54231	1.2
140.07053	42.8
152.05673	4.6
152.06955	2.1
153.05878	1.3
154.06108	1.7
154.08609	1.8
157.09715	2.0
197.49895	1.1
208.04857	1.2
240.13397	1.4
268.12045	1.1
286.13574	2.9
286.17111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1436
Annotation	N-Methylhigenamine
Peak:m/z	Relative Intensity
51.80167	0.6
52.30996	0.6
79.05478	1.0
85.35749	0.8
91.05468	2.9
91.79871	0.8
93.07043	3.5
95.04957	1.5
103.05473	1.5
105.07047	1.4
106.06561	5.3
107.04945	57.5
107.07338	11.7
117.05683	0.9
118.06519	6.7
119.07310	2.2
120.08105	5.3
120.08864	0.9
121.06497	20.2
130.06488	0.9
131.07300	4.2
132.08112	3.2
133.08868	25.6
134.09654	2.8
146.09637	21.1
192.10236	1.0
213.11456	6.2
240.13808	100.0
241.14297	1.8
241.17125	1.0
262.17392	0.9
286.11197	1.7
286.14365	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	286.1437
Annotation	Hydromorphone
Peak:m/z	Relative Intensity
51.25902	1.8
52.07109	2.2
53.58763	1.8
56.96553	2.8
66.30784	1.8
72.97198	1.9
91.05455	3.3
93.07026	6.3
103.05461	2.8
104.04964	5.7
105.07025	5.4
106.06545	3.3
107.04921	10.8
115.05461	3.0
117.04454	2.3
117.05778	15.7
119.07323	14.2
120.08092	5.4
121.06504	26.1
130.06577	2.5
132.08076	45.9
163.71652	2.6
226.05751	2.5
226.12254	100.0
253.23430	2.5
284.10602	2.7
286.14355	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	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
50.61485	2.2
56.96560	4.0
57.07069	19.7
57.37505	2.1
58.06585	3.6
60.73866	2.1
62.06093	13.4
62.61616	2.1
66.65588	2.4
67.05481	3.0
69.07056	4.1
71.08610	6.4
77.58740	2.2
81.07030	3.6
85.10172	3.6
102.64697	2.7
107.04932	8.4
110.86708	2.5
161.13318	3.2
229.19524	3.9
268.30023	4.3
286.31030	100.0
287.05344	3.1
287.23749	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	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
57.07067	17.9
58.06583	3.4
62.06079	9.7
71.08618	10.4
71.22420	1.2
85.10146	1.4
86.87840	1.5
136.53522	1.5
150.22398	1.5
156.56119	1.5
174.18524	6.2
191.93880	1.7
212.23711	6.9
223.98595	1.6
226.05643	2.5
230.24806	33.6
286.31009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3104
Annotation	ES-285
Peak:m/z	Relative Intensity
53.00294	0.7
54.52010	0.6
56.96531	1.2
57.07071	10.5
57.58965	0.6
58.06591	2.2
70.06577	2.4
71.08611	3.3
71.64668	0.7
72.08147	33.5
74.73209	0.6
81.07047	1.7
84.71767	0.8
85.10172	1.5
88.07616	2.6
90.09185	25.2
93.07013	1.1
95.08650	0.7
105.07029	1.5
107.04956	1.0
117.99573	0.7
119.08566	1.1
131.08513	0.8
135.25961	0.8
164.60370	0.8
169.13039	0.9
230.24742	1.9
242.28305	0.9
248.41393	0.8
264.30496	0.9
286.31021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.41139	0.9
51.55804	1.2
52.04506	1.0
67.01862	1.9
67.80750	1.0
68.99781	1.5
89.03885	2.4
91.71087	1.7
114.09474	1.4
131.17273	1.3
135.04439	7.0
153.01819	10.9
241.04942	1.6
287.05487	100.0
288.05774	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99904	3.0
70.06577	10.1
72.08153	5.6
74.79217	3.3
81.07030	5.2
84.08099	4.8
86.09706	10.8
91.05470	3.8
100.07608	3.9
115.05422	4.2
142.06541	4.0
153.01842	8.8
156.06520	6.0
181.06331	4.1
188.07097	15.1
193.57881	3.7
210.10100	3.9
287.05496	100.0
287.10355	15.7
287.20825	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.05786	2.5
65.18948	2.1
67.01848	4.4
67.05475	2.1
70.06545	3.9
79.05496	3.3
84.08112	3.1
86.09670	6.6
92.44783	2.5
93.34917	2.6
110.23428	2.5
113.03503	2.6
116.90105	3.5
135.04379	6.7
137.02335	3.6
141.87837	2.7
144.12668	2.7
153.01814	12.2
159.85420	3.1
168.73317	3.1
287.05463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.13172	0.8
57.90631	0.7
61.51043	0.6
67.01854	1.7
68.99778	1.0
76.54377	0.8
81.58068	0.7
89.03899	1.2
115.57145	0.7
135.04405	6.4
137.02380	1.8
146.77519	0.7
148.03435	0.7
153.01842	11.8
154.89883	0.7
161.02299	1.7
171.02831	1.5
241.05008	1.6
252.02460	1.1
287.05484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.04992	0.4
58.09950	0.6
67.01839	2.6
68.99760	1.3
75.79606	0.6
80.92272	0.6
88.76325	0.6
89.03885	1.3
90.75742	0.6
95.55665	0.6
96.13002	0.6
116.34499	0.6
117.03345	0.8
120.35124	0.6
135.04434	5.8
137.02327	1.6
146.61597	0.7
147.77255	0.7
153.00604	0.8
153.01817	14.0
153.31215	0.6
161.02309	1.1
171.02866	1.6
241.05040	1.9
244.14319	0.6
287.05469	100.0
288.05786	0.8
308.22369	0.9
308.72375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
50.26123	0.9
51.35949	1.1
55.05500	1.2
56.96548	1.5
70.06574	6.6
72.08138	4.8
84.04492	3.1
84.08126	3.8
86.09681	7.9
121.55296	1.4
125.92052	1.3
126.21308	1.2
141.97452	1.2
153.07692	1.2
157.86293	1.2
175.11913	3.0
186.05589	1.7
226.04868	1.3
228.08862	8.3
229.09666	4.4
241.09630	1.6
256.12036	18.0
269.12646	2.4
287.13861	100.0
288.13977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
51.14778	9.9
52.88378	9.0
55.05486	20.7
57.07059	15.6
60.83561	9.8
67.05499	60.0
69.07055	26.0
75.20229	9.9
75.32452	10.2
79.05491	21.0
81.07041	100.0
82.20953	11.8
83.08635	12.0
91.05464	33.9
93.07043	61.0
95.04913	13.6
95.08606	72.5
105.07011	70.3
107.08575	66.3
109.10145	33.5
111.08121	11.1
113.09640	17.0
117.06991	19.2
119.08611	60.1
121.10140	48.6
123.11716	23.9
130.43414	11.1
131.08571	35.1
133.10094	49.6
135.11703	24.6
143.08557	15.5
145.10129	36.0
147.11705	32.0
157.10158	22.6
159.11670	26.8
161.13248	29.1
171.11751	19.0
173.13301	29.4
175.14795	14.6
177.60674	13.1
184.86504	12.7
185.13174	15.3
194.47386	13.9
199.14635	18.7
213.16319	16.4
218.91585	14.1
229.19513	29.3
231.99857	13.0
241.19403	19.9
260.65485	12.0
264.63562	12.8
269.22629	18.3
287.20090	68.5
287.23706	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	287.2367
Annotation	Helicallenal
Peak:m/z	Relative Intensity
51.37777	11.3
52.89317	15.6
54.77150	12.0
55.05499	29.0
56.13935	12.1
56.96549	20.9
57.07051	16.1
61.98843	15.8
64.70338	12.3
67.05484	63.1
69.03394	16.7
69.07052	38.8
69.15343	12.7
72.94932	13.8
77.18307	15.1
79.05472	14.7
81.07058	100.0
83.04969	59.3
93.05885	16.5
93.07034	46.1
95.08614	36.8
96.33257	14.9
105.07017	51.2
107.08582	38.9
109.10116	78.7
119.08574	43.7
121.10134	25.1
133.10129	29.2
135.11690	16.6
145.10118	39.5
149.13297	18.8
159.11761	33.1
177.16487	16.9
189.16330	30.7
213.16443	19.5
229.19452	29.9
269.22632	45.7
287.05313	20.7
287.23639	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
51.25920	1.9
55.05507	16.1
57.07054	3.3
67.05499	30.0
69.03419	3.4
69.07065	19.8
71.08625	2.2
79.05476	8.3
81.07050	100.0
81.28111	2.5
83.04971	65.5
83.08618	3.7
91.05461	13.2
93.07041	23.5
95.04976	4.6
95.08591	27.6
105.07013	26.4
107.08592	28.6
109.10148	88.2
111.11763	2.6
119.08582	25.3
121.10162	22.6
123.11690	6.1
131.08582	7.7
133.10167	15.7
135.11676	5.8
137.13295	3.4
143.08574	3.3
145.10109	12.6
147.11694	11.3
149.13290	4.6
151.11174	3.5
153.60884	2.9
157.10156	7.3
159.11661	14.1
161.13271	10.2
163.14859	2.9
170.11089	3.0
171.11685	5.9
173.13210	12.4
185.13409	3.1
187.14828	12.5
189.16399	28.0
199.14833	3.7
205.16086	3.9
213.16434	10.4
229.19487	5.6
269.22699	22.0
287.23654	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	287.2368
Annotation	Gibberosin L
Peak:m/z	Relative Intensity
52.49988	4.0
52.92843	3.7
54.66907	3.8
55.05499	7.1
55.67248	3.6
55.71201	4.1
57.00864	3.6
57.07067	5.5
67.05492	17.4
69.07068	28.5
71.56345	3.9
73.58108	4.4
75.68913	4.3
79.05489	12.1
81.07049	50.6
83.08630	6.7
91.05490	10.7
91.71586	7.0
93.07018	29.5
95.04941	4.7
95.08591	32.0
97.06506	12.2
105.07032	40.6
107.08597	39.5
109.10131	29.2
119.08578	19.5
121.06445	4.5
121.10156	14.1
123.11737	14.9
131.08556	17.6
133.10133	20.9
133.97978	5.5
135.11687	15.0
143.08527	11.6
145.10143	21.0
147.11639	13.5
149.13234	5.8
154.94156	7.2
157.10120	13.4
159.11621	10.6
161.09596	9.2
161.13268	14.2
163.11209	12.4
163.14842	6.4
164.14552	4.9
171.11662	11.8
175.11226	5.2
175.14818	10.5
176.99466	4.6
185.13269	8.5
189.16412	11.9
191.17961	7.0
195.96930	7.0
199.14894	5.4
203.14308	7.3
213.16412	10.2
217.15923	13.2
229.19562	9.6
269.22656	34.7
287.23712	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	287.2369
Annotation	Lobophytumin E
Peak:m/z	Relative Intensity
55.05506	17.2
57.07068	2.9
61.28630	2.9
67.05493	31.6
67.05798	3.4
68.50398	2.8
69.07057	25.5
71.08623	3.5
79.05492	10.6
81.07049	100.0
83.04965	63.0
83.08636	7.2
91.05483	8.7
93.07026	21.9
95.04960	4.6
95.08602	21.3
101.95572	2.8
105.07005	25.3
107.08598	20.9
109.10150	67.8
109.10839	4.4
119.08580	26.0
121.10176	14.1
123.11739	6.0
125.35455	3.6
131.08618	9.8
133.10109	16.1
135.11768	8.6
138.52596	3.9
145.10164	10.4
147.11739	14.5
157.10222	9.2
158.93851	4.1
159.11760	10.1
161.13297	9.2
171.11784	4.6
173.13367	9.1
185.13414	6.4
187.14935	12.4
189.16368	24.3
207.17520	4.5
213.16406	9.2
229.19688	6.3
269.22797	12.4
274.08658	3.7
287.23557	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	Lobophytumin E
Peak:m/z	Relative Intensity
55.05509	11.9
57.07054	6.8
63.71069	4.7
63.96675	4.4
64.51531	5.2
67.05494	41.0
69.03415	5.0
69.07059	27.7
79.05489	6.9
81.07053	76.5
83.04969	37.6
83.08635	7.5
91.05447	8.3
93.07036	21.2
95.08589	30.2
102.37984	6.5
104.99327	6.5
105.07030	22.7
107.08585	14.5
109.10152	100.0
119.08598	24.0
121.10161	16.1
123.11700	7.2
133.10170	16.6
135.11684	8.9
145.10153	8.1
147.11668	14.0
157.10144	11.4
159.11711	8.7
161.13222	10.3
163.52852	7.9
189.16405	33.8
203.14435	8.2
213.16495	7.3
216.15028	6.5
240.40883	6.1
269.22662	12.9
287.23599	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	287.2368
Annotation	Helicallenal
Peak:m/z	Relative Intensity
54.11758	3.9
55.05509	14.2
57.07066	12.3
62.74743	3.9
64.89110	4.1
67.05489	25.6
68.45025	4.4
69.03423	25.9
69.07069	34.3
79.05493	12.1
81.07037	63.6
83.04984	9.5
83.08626	9.2
91.05498	17.5
93.07047	46.4
93.70159	5.1
95.08603	59.4
97.06548	14.3
97.10206	8.8
100.84474	4.2
104.99292	8.1
105.07004	41.5
107.08588	61.5
109.10158	41.7
119.08564	45.3
121.10162	48.5
123.11723	19.5
125.09651	19.1
126.15594	5.1
131.08580	13.1
133.10112	27.9
133.20058	5.0
135.08067	9.2
135.11685	25.5
143.08559	11.6
145.10164	21.6
147.11705	30.7
149.13197	24.0
151.11270	6.5
157.10191	16.5
159.11601	27.3
161.13306	17.7
163.14900	19.8
171.11731	9.3
173.13354	9.8
175.14870	22.3
177.16400	13.1
187.14801	12.4
188.49083	4.9
189.16528	14.8
199.14885	15.6
201.16461	15.9
203.17891	31.1
213.16347	23.2
227.17975	7.2
229.19501	9.4
236.93541	5.7
243.81836	5.6
269.22586	42.5
287.23648	100.0
287.26453	8.4
287.31140	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	287.2367
Annotation	Retinol
Peak:m/z	Relative Intensity
52.50146	4.7
55.05505	10.0
57.07072	15.8
62.65413	4.9
67.05488	20.2
69.07059	12.9
71.08623	7.9
76.78059	7.3
79.05463	8.1
81.07045	25.7
91.05457	44.5
93.07043	25.5
95.08594	20.0
97.06525	8.7
105.07023	53.1
107.08591	17.2
109.10162	9.9
116.14846	6.0
117.07012	26.6
119.08561	23.9
121.10145	13.1
123.11671	6.8
129.07016	21.2
131.08563	36.4
133.10130	21.0
143.08548	11.5
145.10130	18.9
147.11678	9.8
156.11043	6.3
157.10107	20.0
159.11731	11.1
171.11674	16.2
173.13341	7.5
175.14789	9.9
185.13246	15.2
187.14856	12.2
203.17967	31.9
213.16354	6.5
245.58247	6.5
269.22604	62.6
287.05634	7.9
287.23685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	SCHEMBL13039025
Peak:m/z	Relative Intensity
53.47157	5.9
53.87823	5.6
55.05502	10.4
56.80058	5.5
59.08095	6.4
64.97694	6.8
67.05479	21.5
69.07058	36.3
71.04973	11.6
79.05473	7.4
81.07048	56.0
85.06510	23.3
91.05479	19.7
93.07017	45.7
95.08607	49.1
105.07006	63.7
105.17522	7.2
107.08600	39.0
109.10161	29.4
109.20538	8.8
111.08023	7.5
113.09637	38.5
117.07032	11.2
119.08577	57.9
121.10143	27.8
122.33319	7.8
123.11700	20.4
125.14464	7.5
125.84938	7.6
131.08568	34.3
133.10141	24.8
143.08504	13.5
145.10136	33.1
147.11670	38.1
149.13287	8.9
157.10097	18.1
159.11613	39.5
161.13246	18.5
171.11684	17.6
173.13268	31.6
175.14859	13.0
175.23015	7.1
185.13274	12.3
187.14774	18.1
199.14851	11.8
213.16391	18.3
214.99953	8.6
227.17818	16.1
229.19377	39.3
269.22571	42.8
287.05612	12.8
287.23685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Gly Leu Val
Peak:m/z	Relative Intensity
53.98939	1.0
55.66274	0.9
64.81550	1.1
69.07058	11.1
70.06577	6.9
70.90211	1.1
72.08146	20.5
75.05591	21.9
84.04522	1.4
84.08137	2.2
86.09696	100.0
91.05481	1.5
95.04958	1.7
107.04940	37.7
108.05322	2.6
109.06507	6.2
118.08657	8.6
121.29934	1.4
129.10225	1.6
143.11790	96.0
156.21803	1.5
171.11276	24.7
176.89650	1.3
184.14513	1.5
240.23982	1.4
271.10675	1.8
282.36963	1.5
288.20587	1.5
289.11697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98939	1.0
55.66274	0.9
64.81550	1.1
69.07058	11.1
70.06577	6.9
70.90211	1.1
72.08146	20.5
75.05591	21.9
84.04522	1.4
84.08137	2.2
86.09696	100.0
91.05481	1.5
95.04958	1.7
107.04940	37.7
108.05322	2.6
109.06507	6.2
118.08657	8.6
121.29934	1.4
129.10225	1.6
143.11790	96.0
156.21803	1.5
171.11276	24.7
176.89650	1.3
184.14513	1.5
240.23982	1.4
271.10675	1.8
282.36963	1.5
288.20587	1.5
289.11697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20311	1.5
56.63776	1.6
57.06848	1.6
57.07069	19.3
58.06562	1.8
64.19937	1.6
69.42618	1.7
69.80108	1.6
70.06587	22.8
71.08614	11.6
76.83554	1.8
81.07029	2.0
85.10168	4.1
88.07622	34.7
91.71570	2.5
99.71602	2.1
104.30419	1.8
106.08658	35.1
123.86614	2.5
139.07265	2.2
150.64551	2.1
288.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Cyanomaclurin
Peak:m/z	Relative Intensity
55.01864	1.8
60.14849	1.1
61.85981	1.2
65.03946	1.2
65.95805	1.0
67.05433	0.9
71.04987	1.2
81.58369	1.1
85.02889	2.9
87.47579	1.2
90.68649	1.3
91.05479	1.6
109.02883	2.1
115.05444	2.0
121.02875	4.0
121.06405	1.4
123.04465	7.2
127.03918	2.0
133.02846	1.6
137.02391	7.7
137.03275	1.2
141.07002	6.0
143.04901	1.5
152.06171	1.8
153.06993	3.5
157.06516	1.7
159.04395	3.1
161.05905	2.0
169.06482	9.1
171.04478	2.2
173.05971	2.8
181.06451	7.0
187.07581	2.1
197.05956	23.4
201.05446	2.7
213.05544	1.3
215.07014	4.6
225.05444	14.8
227.06982	2.2
243.06587	7.3
247.06020	1.2
251.76717	1.4
253.04921	39.2
271.05994	13.9
289.07034	100.0
306.09805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79692	3.4
56.96562	45.7
64.69135	3.8
65.03932	3.9
70.06571	9.2
70.94962	3.7
71.84223	3.5
72.08142	4.6
74.02430	8.5
75.41812	4.5
77.29900	3.7
81.07019	4.5
83.04980	3.7
84.08140	7.9
85.02921	6.2
86.09693	9.0
91.05463	17.1
94.06546	3.9
96.42852	4.2
97.99187	5.3
103.51061	4.5
108.08128	6.1
110.06043	31.9
118.06548	6.8
124.00676	4.4
127.03918	5.6
130.06531	15.9
131.07350	4.6
132.08090	7.9
134.06061	5.3
136.03873	6.7
136.07578	86.4
137.02249	4.3
137.06023	5.4
142.01808	11.8
143.08511	5.5
146.06042	9.3
152.07063	33.6
154.05000	19.3
154.06235	5.8
156.07999	6.4
160.02760	12.8
160.07600	6.0
165.03348	11.6
167.07162	5.3
168.08064	22.6
170.09633	100.0
170.11012	6.5
178.05362	10.4
180.08095	27.3
182.09648	14.2
183.04477	19.0
188.07048	29.0
191.41696	4.4
198.09177	7.5
206.05962	6.8
210.09117	17.2
212.07147	5.0
216.10193	75.9
219.08006	7.2
226.08661	12.0
254.08156	6.1
255.08002	7.1
272.09070	28.5
289.08862	19.1
289.11740	22.7
307.09634	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	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03938	7.6
54.38406	3.2
55.01852	3.9
59.10720	3.2
61.02920	5.7
66.10049	3.2
67.05493	4.0
69.03424	33.1
69.18027	4.0
70.06563	3.7
71.04981	13.0
73.02937	4.2
81.03410	45.5
81.07088	4.8
83.02390	3.7
85.02896	53.2
91.05501	6.4
91.71677	4.2
93.07040	4.2
95.04987	5.8
97.02867	37.6
99.04449	64.1
103.03941	48.8
109.02879	40.3
119.58865	4.1
127.03909	100.0
145.04965	14.3
158.46634	4.4
159.38875	4.1
173.40025	4.3
173.63972	4.3
174.92758	5.1
187.06044	13.9
309.58139	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	289.1181
Annotation	Limazepine A
Peak:m/z	Relative Intensity
50.44871	2.0
60.89220	2.0
65.11094	2.0
67.01825	2.1
67.05482	2.0
67.83597	2.0
69.03403	3.6
81.03387	4.2
84.04461	3.4
85.02879	6.6
97.02843	7.4
99.04420	8.5
103.03951	5.0
105.78559	2.3
109.02848	6.4
127.03875	8.7
127.59766	2.5
136.07544	5.2
146.09630	2.8
157.08862	17.1
158.09666	13.1
172.11169	5.2
174.09146	5.8
175.08618	5.6
186.09004	5.2
187.05878	3.1
199.91051	2.7
200.10686	74.3
202.08661	15.3
203.08173	17.1
228.10164	100.0
246.11160	3.2
289.11734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68973	0.7
57.24380	0.7
64.00153	0.7
65.03938	1.8
72.08131	1.7
74.44827	0.9
81.07027	1.3
85.02889	3.2
86.09695	1.5
91.05482	4.6
92.02484	1.0
102.05523	7.2
105.07014	1.3
110.89240	0.9
115.05438	1.2
115.39436	0.9
117.05754	15.0
131.07381	1.0
132.08087	28.7
134.49080	1.1
136.07596	1.7
137.05949	1.2
160.07565	38.9
188.07060	100.0
201.56274	1.2
202.08640	2.3
247.55423	1.1
265.08157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85681	4.3
56.96562	44.8
65.03941	10.8
67.05466	7.4
67.11154	4.8
68.53610	5.0
74.02424	7.7
77.74509	4.6
81.07088	7.2
85.02851	7.0
85.77619	5.9
86.09676	6.5
87.19819	5.9
91.05470	13.6
91.70962	8.2
107.04945	7.2
108.08107	7.8
109.06519	5.5
110.06047	23.7
118.06522	9.6
130.06526	9.8
134.05986	12.6
136.07587	81.9
137.05922	5.6
142.01804	9.0
144.51416	6.2
152.07047	30.1
154.04977	16.3
155.07240	7.7
156.08101	6.2
160.02760	11.9
160.07635	9.9
165.03323	7.6
168.08054	30.8
169.95943	7.8
170.09656	100.0
178.05373	8.8
180.08096	24.2
182.09697	11.1
183.04459	14.3
184.07526	6.3
188.06992	29.6
198.09154	9.8
206.05988	11.5
210.09109	17.8
216.10167	69.4
216.11932	6.9
219.08028	10.2
226.08638	14.4
254.08012	6.3
272.09134	31.5
287.71292	7.2
289.08838	26.6
289.11682	29.0
307.09732	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	289.164
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03944	13.2
55.05508	10.8
62.30709	10.9
64.91822	12.7
67.05487	29.4
68.49325	11.4
69.03414	28.4
69.07059	25.8
70.95345	11.8
71.04976	20.4
79.05449	22.8
81.03404	36.3
81.07043	86.2
83.04954	33.6
85.02885	38.3
85.06499	22.4
91.05472	32.0
93.07052	85.3
95.08607	42.6
97.02918	14.6
97.06508	48.1
99.04449	59.5
105.07042	43.8
106.10036	13.8
107.08585	50.7
109.02863	15.7
109.06496	51.0
111.08058	26.7
116.63187	16.1
119.08580	26.9
120.18986	14.5
121.06505	100.0
121.10117	16.4
127.03902	54.6
127.07552	13.7
133.10095	24.5
139.07558	25.6
143.07089	16.2
147.11699	71.5
151.11290	13.1
151.23479	14.1
157.10056	23.9
161.13239	24.2
165.12769	25.6
171.11700	37.6
175.11162	29.7
189.12732	26.1
193.12257	44.4
199.11205	35.4
207.13840	18.2
211.13048	18.7
212.45779	13.6
217.12202	86.3
224.05864	13.8
229.14554	12.6
235.13249	79.9
253.14363	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
54.04556	8.5
55.05513	28.1
57.07087	17.5
67.05510	53.9
69.07051	79.3
79.05496	15.2
81.07066	100.0
83.08608	19.8
86.29226	13.3
86.53272	11.0
91.05479	32.1
91.70983	17.1
93.07066	63.7
95.08604	90.6
97.10195	17.2
105.07082	48.6
107.08590	70.1
109.06488	13.6
109.10135	64.6
116.75336	13.0
119.08603	47.2
121.10199	53.7
121.79439	13.7
123.11769	35.4
131.08615	26.1
133.10172	48.6
135.11732	32.7
145.10124	21.6
147.11742	48.0
149.09679	12.4
149.13315	16.6
151.11211	35.2
159.11710	21.3
161.13249	19.4
161.89877	13.1
163.14854	20.1
166.43123	13.6
173.13335	33.8
177.16487	18.4
187.14958	42.7
187.80821	13.7
189.16464	21.0
191.67912	13.0
203.18173	13.2
215.17976	36.7
271.24094	75.0
289.25183	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03941	1.9
55.05289	1.7
55.05507	17.6
57.07058	4.2
67.05499	10.8
69.07059	32.2
69.22216	1.3
70.33794	1.3
71.08616	2.6
79.05493	7.9
81.05970	1.4
81.07046	46.6
83.04969	100.0
83.08610	11.5
84.05737	1.5
84.79309	1.4
85.06570	1.8
86.50305	1.3
90.28812	1.3
91.05473	4.9
93.07034	13.4
95.08604	24.9
97.06496	1.9
97.10186	2.1
104.94462	1.5
105.07008	9.3
107.08588	17.7
109.10146	22.1
111.11703	5.3
119.08603	9.3
121.10108	10.7
123.11709	5.4
131.08565	1.7
133.10168	4.8
135.11646	10.6
137.13246	3.2
145.10126	5.0
147.11711	4.5
149.13271	5.7
159.11702	5.8
161.13234	4.3
163.14821	4.2
164.34349	1.8
165.12802	2.9
173.13318	4.4
175.14853	2.4
187.14883	3.0
189.16310	7.4
191.17906	7.2
201.16417	2.1
203.17915	2.0
215.17926	2.4
221.18828	2.3
231.21074	2.3
249.20256	1.6
271.24240	8.4
289.25162	29.1
289.28043	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.00299	2.5
55.05502	18.4
57.03414	4.4
57.07067	25.2
60.85088	2.3
64.38316	2.7
65.31383	2.8
66.07023	2.9
67.05498	42.9
69.03426	7.9
69.07059	41.8
71.04999	3.5
71.08616	3.0
72.04484	2.6
73.74538	2.8
79.05466	15.0
81.07046	89.2
81.07524	4.7
82.52239	2.8
83.04980	15.2
83.08618	25.1
85.82999	2.6
91.05470	18.9
91.71057	3.6
93.07035	52.7
95.08598	100.0
97.06509	10.2
97.10156	8.3
98.81029	3.4
100.07614	10.8
105.07028	33.8
107.08581	53.1
109.06535	5.6
109.10154	85.1
111.08093	5.7
111.11673	3.7
116.75562	2.7
117.07004	5.1
119.08569	33.6
119.57984	3.0
121.10145	32.1
123.11689	39.3
125.09626	15.2
131.08575	11.8
133.10146	18.2
135.11708	37.8
137.13232	7.9
139.11238	3.4
145.10141	10.6
147.11667	16.1
149.13269	38.4
151.90314	3.1
156.13881	8.8
159.11638	17.9
161.13234	20.4
163.14789	15.4
165.12825	3.6
173.13290	10.5
175.14830	12.6
177.16377	7.9
179.17975	10.2
187.14824	10.0
189.16386	9.3
191.17789	3.7
201.16431	9.5
203.17943	7.0
207.17473	8.6
215.17928	18.4
229.19690	4.3
261.30273	3.3
271.16751	4.3
271.24164	50.9
289.18259	3.6
289.25208	73.6
314.52591	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.61392	3.7
52.94183	3.4
55.05492	17.6
57.07068	8.3
59.04978	4.3
59.14468	3.4
62.29533	3.4
67.05496	36.8
69.03399	5.7
69.07061	26.6
70.26087	4.8
71.88265	4.4
79.05477	11.6
81.07047	99.1
83.04973	9.9
83.08614	16.1
84.38320	4.1
90.59054	4.7
91.05451	15.5
93.07031	39.8
95.04976	6.8
95.08598	100.0
97.06503	14.2
97.10155	13.9
105.07011	25.3
105.88258	4.3
107.08594	48.6
109.10142	84.0
110.69334	4.8
111.08034	5.3
119.08575	22.5
119.19972	4.7
121.10139	34.6
123.11729	44.8
125.09644	16.2
133.10136	18.8
135.11705	23.4
145.10123	6.6
147.11681	11.2
149.13245	38.4
151.49547	5.6
159.11684	16.1
161.13234	20.0
163.14806	14.1
168.27750	4.7
173.13289	10.5
175.14743	9.5
177.16386	6.2
179.17928	12.3
187.14923	9.3
189.16333	7.6
190.27843	5.3
201.16350	4.7
209.44341	4.8
215.17880	12.3
229.19446	4.9
249.77003	5.5
268.77997	5.3
271.24240	49.7
285.69785	6.0
289.25217	43.2
292.82721	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.74643	2.1
53.03955	2.1
55.05500	13.1
55.36868	2.4
57.07074	7.0
57.99288	2.6
66.41132	2.7
66.90874	2.5
67.05492	18.7
69.07054	31.5
71.08634	5.8
78.19717	2.6
79.05489	17.1
81.07047	100.0
83.08599	16.0
85.06518	3.9
91.05474	10.7
91.71124	3.6
93.07043	27.9
95.08595	53.9
95.09160	4.7
97.10183	9.0
105.07013	10.5
107.08564	15.9
109.10138	28.4
111.08053	5.2
119.08571	15.3
121.10157	15.4
123.11687	16.2
131.08620	3.4
133.10170	6.4
135.11731	9.0
137.09673	3.4
137.13202	4.5
145.10152	8.0
147.11685	9.0
149.13231	7.5
159.11729	9.0
161.13268	5.4
163.14787	3.8
173.13077	2.8
177.16309	3.5
187.14879	3.8
189.16394	4.0
197.12071	3.3
201.16412	3.6
209.62511	3.0
234.20230	3.1
271.24200	10.5
289.25208	31.2
290.21707	3.2
292.47614	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05492	18.6
57.34954	5.9
65.59075	5.3
67.05489	18.8
69.07048	41.6
79.05459	11.4
81.07044	100.0
83.08614	16.9
91.05457	14.8
91.71069	10.1
93.07026	38.1
95.08598	56.7
100.05106	6.0
105.07043	19.1
107.08595	39.0
109.10148	51.0
119.08590	22.3
121.10118	39.2
123.11705	16.4
131.08531	8.8
131.28456	6.5
133.10149	7.4
135.11682	18.9
138.15387	6.5
143.12094	7.4
145.10114	6.7
147.11693	19.0
149.13245	15.5
159.11739	9.4
161.13257	11.1
175.14842	7.7
189.16411	9.1
215.17871	8.3
261.25784	7.4
271.24289	20.2
289.25406	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.53458	4.1
55.05496	9.5
56.63446	4.7
58.68398	4.6
60.97358	4.5
61.55334	5.3
62.92268	5.4
67.05488	39.6
67.10581	5.0
69.07053	17.8
78.62627	5.6
79.90524	6.8
81.07050	46.1
83.08604	6.5
84.68981	6.6
91.71702	5.2
93.07057	14.4
95.08592	35.3
105.07024	13.4
107.08588	20.8
109.10143	100.0
109.10859	7.9
119.08589	11.5
121.10175	14.1
123.11689	14.1
123.46484	5.9
131.08522	6.6
135.11723	14.5
145.10120	7.1
147.11647	7.9
149.13245	6.1
163.14717	7.0
210.53706	7.0
215.18008	6.4
225.33408	6.1
236.23079	6.9
271.24219	13.0
289.25198	33.9
293.96359	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.58934	4.2
55.05491	21.4
57.07058	11.5
67.05493	14.8
69.07060	46.9
76.00493	5.1
77.87257	5.7
79.05488	10.6
81.07044	74.7
83.04969	100.0
83.08584	14.8
93.07017	15.3
95.08609	34.4
105.07046	13.9
107.08577	20.0
109.10129	30.9
115.68033	6.2
119.08585	15.2
121.10117	16.5
123.11746	10.3
132.86401	6.4
133.10110	7.3
135.11717	8.1
137.13156	7.3
147.11658	9.3
149.13228	9.3
159.11646	7.7
243.56436	6.5
271.24286	15.6
289.25159	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.87879	7.6
54.29057	6.3
55.05505	14.2
58.57313	7.7
61.99517	6.3
67.05477	34.0
69.07058	32.9
71.04981	16.0
79.05477	20.1
81.07053	81.2
83.08607	16.1
85.06546	44.3
91.05474	17.2
93.07037	53.2
95.08593	83.6
105.07006	42.9
107.08572	48.8
107.49290	9.6
109.10161	54.6
117.07021	9.6
119.08572	37.5
121.06439	7.8
121.10121	42.2
123.11690	23.9
131.08594	10.6
133.10127	44.6
135.11693	19.4
142.17833	9.1
142.18935	8.6
147.11710	33.6
149.13260	20.2
159.11707	27.5
161.13284	25.4
163.14755	11.9
173.13316	14.5
175.14815	19.0
189.16388	27.9
201.16389	14.7
203.17923	12.3
207.71237	9.9
215.17917	12.3
238.22533	9.5
242.20755	9.0
252.88646	10.2
254.97725	9.7
271.24203	35.3
289.25183	100.0
302.55997	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	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.36456	7.9
55.05502	19.6
57.07064	9.6
66.01777	10.1
67.05486	28.4
67.53397	8.2
69.07052	35.4
71.04978	11.7
74.92373	10.6
75.35674	8.7
79.05471	17.0
80.06721	9.1
81.07046	100.0
83.08610	22.0
91.05483	16.8
93.07044	84.6
94.37357	8.6
95.08594	71.8
97.10147	10.3
99.08027	9.6
105.07019	58.0
105.42147	10.3
107.08588	73.7
109.10146	77.6
111.42504	9.2
112.91981	11.2
119.08556	47.8
121.10096	59.1
123.11681	31.2
123.56113	9.3
127.11187	32.6
131.08588	18.7
133.10152	40.5
135.11703	40.5
145.10121	19.2
147.11671	38.9
149.13281	40.9
153.99904	11.3
159.11711	24.2
161.13226	27.0
163.14824	22.8
173.13286	20.1
175.14824	13.3
177.16180	10.7
187.14885	35.2
194.95299	12.8
201.16435	12.6
203.17950	47.4
203.27818	10.7
271.24274	67.6
277.32623	10.8
289.25241	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.97233	5.0
55.05496	21.3
57.07078	6.8
67.05502	29.3
69.07066	58.9
69.25999	5.1
71.04974	10.0
78.13476	4.8
79.05482	17.2
81.07046	99.0
83.08613	18.2
85.06536	15.2
85.10442	5.4
88.18612	5.5
91.05463	39.2
93.07042	75.8
95.08039	10.2
95.08599	100.0
96.81590	6.1
99.08092	8.6
105.07013	54.9
107.08584	97.0
109.10155	51.9
111.82564	6.3
113.09669	7.3
115.51845	5.6
117.06994	7.7
119.08580	51.3
121.10129	46.8
123.11711	54.0
131.08582	16.8
133.10133	34.3
135.11725	26.6
137.13258	15.2
145.10126	22.1
147.11676	97.0
149.13271	28.4
151.11147	6.5
159.11766	35.4
161.13248	22.7
163.14836	19.6
173.13234	44.2
175.14844	46.3
177.16444	17.3
187.14799	52.0
201.16368	20.1
215.17921	20.7
229.19452	13.5
231.21098	25.3
271.24146	88.1
289.25238	58.9
306.34045	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	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05502	20.6
57.07062	15.0
57.09811	4.6
64.70349	5.4
66.77234	4.6
67.05482	25.8
69.03419	5.0
69.07065	53.4
69.44508	4.9
79.05470	14.0
81.06600	8.9
81.07042	100.0
83.08595	17.9
83.32109	5.9
84.15452	5.5
85.06541	7.7
88.07623	10.6
91.05483	9.5
92.94217	5.6
93.07050	49.2
94.65081	5.7
95.08591	56.2
97.10139	8.4
105.07022	34.3
107.08584	52.8
109.10159	30.8
111.11714	8.8
117.07016	8.0
119.08566	31.4
121.10164	31.9
123.11668	13.7
123.38687	5.6
125.09628	20.0
131.08568	14.3
133.10117	19.5
135.11684	48.5
137.13283	10.0
139.11221	6.0
145.10098	11.2
147.11684	24.2
149.09659	7.3
149.13271	17.8
151.03951	6.8
151.11160	10.7
159.11722	19.2
161.13260	21.1
163.11212	17.3
163.14725	12.3
165.12766	6.0
173.13202	10.9
175.14798	13.3
175.68907	5.9
177.12776	18.0
179.14359	7.9
181.15887	16.7
187.14812	10.3
189.16542	7.0
201.16373	9.9
215.17920	11.1
217.43344	6.7
225.15121	6.7
264.67212	7.2
271.24115	40.0
289.25244	67.2
289.29279	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03398	1.1
84.04498	11.6
84.79326	0.5
90.37782	0.5
107.91240	0.6
115.05465	0.5
117.06989	2.2
130.04977	2.9
132.08131	0.8
143.07294	1.1
144.08078	100.0
145.08392	0.6
161.10742	4.4
164.04851	0.6
167.72505	0.6
227.11761	2.8
262.13480	0.6
273.12292	3.3
290.12112	0.6
290.15015	7.0
293.12259	0.6
297.84021	0.5
300.34048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80092	3.9
61.07133	4.3
62.00757	4.3
88.71259	3.9
89.41402	5.0
91.05468	100.0
91.71048	6.8
95.08656	4.3
96.38748	4.3
111.14243	4.5
119.61526	6.6
135.63509	5.5
271.51453	5.9
290.24802	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16104	0.6
50.79280	0.8
54.02797	0.7
56.74080	0.7
57.07072	11.8
57.23600	0.8
70.06583	24.0
71.08602	2.8
73.49278	0.7
80.40742	0.7
81.07083	0.7
84.08117	2.0
85.10157	2.8
87.67589	0.8
88.07115	1.3
88.07623	23.1
93.07028	0.9
102.09180	1.3
106.08688	3.8
106.32918	0.9
113.62933	0.7
114.09174	6.4
118.08645	2.5
132.10199	27.0
150.11261	22.7
152.05771	0.8
199.88605	0.9
207.42903	1.1
228.23125	1.7
246.24280	5.3
279.63455	0.8
290.26868	100.0
291.27316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68576	0.2
53.00294	0.5
55.05487	0.4
55.24776	0.3
56.28205	0.3
56.32877	0.3
57.07068	11.3
58.06601	2.2
60.04514	0.5
61.61954	0.3
64.11525	1.0
68.05022	0.3
69.07060	0.4
70.06581	28.5
71.08611	3.0
72.08126	0.7
74.06081	0.4
77.76520	0.3
82.08564	0.3
84.08128	0.6
85.10173	1.6
86.09695	0.8
88.07618	35.7
93.14134	0.3
102.09171	20.9
116.62661	0.3
132.10225	1.6
146.11745	0.9
150.11244	1.4
178.51424	0.3
184.20619	1.3
202.21617	0.4
228.23207	53.7
229.23535	0.6
272.25793	3.5
290.26855	100.0
291.27185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60509	0.9
57.07073	13.7
62.04209	1.0
67.05476	1.2
70.06584	26.1
71.08617	4.6
72.15667	1.0
73.15137	0.8
74.21057	1.0
76.89446	1.0
84.08100	1.6
85.10164	2.9
85.25343	1.1
86.09683	1.1
88.07116	1.3
88.07623	23.4
102.09174	2.0
106.08658	3.7
114.09151	6.9
118.08610	1.5
132.10197	25.4
150.11249	22.9
214.21689	1.8
228.23129	1.5
246.24246	5.1
290.26871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.7
55.05487	0.7
56.04775	1.0
56.05031	14.8
56.85965	0.6
57.06802	0.7
57.07069	10.1
58.06595	9.5
60.04498	2.5
60.04758	0.5
66.15796	0.8
68.05003	1.3
69.07037	0.8
71.08626	5.3
74.05656	0.8
74.06073	16.8
76.43873	0.7
82.14000	0.5
85.10166	1.5
86.06049	2.8
88.07623	54.3
104.07099	1.4
112.06817	0.7
118.08643	9.5
122.08141	7.1
149.84975	0.7
242.24780	40.8
272.25742	2.3
290.26868	100.0
291.27115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83250	14.6
55.82065	13.7
56.44132	13.2
56.96562	100.0
70.06600	58.4
72.08138	32.5
79.35087	17.7
84.04496	19.7
84.08146	24.7
86.09708	30.1
95.49950	17.6
112.02191	17.9
120.08107	26.8
127.27715	20.3
129.10292	22.9
168.04819	18.5
291.10297	29.5
291.13489	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	291.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	9.9
61.01141	17.9
67.05477	2.7
70.06584	2.7
72.08154	3.6
81.03381	2.7
81.07116	2.9
84.08136	100.0
86.09688	5.1
88.84320	2.3
111.04427	3.0
111.98266	2.2
132.08423	99.9
145.48618	2.8
181.79214	2.4
185.01189	2.7
201.04269	3.1
206.04854	4.7
208.02888	3.3
224.06029	5.0
245.03351	4.1
247.07468	3.0
268.04941	3.3
291.06561	8.4
291.17331	14.8
309.07727	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05513	5.6
57.07083	4.6
59.05013	2.4
63.70314	1.7
66.13779	1.7
67.05510	5.4
69.62640	1.7
71.04987	2.6
77.85913	1.9
79.05510	7.4
81.07066	8.4
82.64922	2.1
83.04979	2.5
83.08627	3.4
85.06544	4.8
91.05499	7.2
93.07027	10.2
95.04993	6.5
95.08598	17.5
97.06545	4.3
105.07032	11.2
105.46207	2.1
107.05003	6.3
107.08635	8.7
109.06557	8.2
109.10175	3.2
110.37055	2.4
111.05809	2.2
111.08064	25.7
114.39128	2.1
119.08617	8.7
121.06546	2.3
121.10170	4.8
123.08056	39.6
129.06970	3.6
131.08623	8.1
133.06537	2.8
133.10153	6.8
135.08069	6.2
135.11711	3.7
137.09723	4.8
139.36121	2.3
145.10085	14.5
147.11737	5.9
149.09698	6.1
151.07538	100.0
157.10184	5.1
159.11737	5.9
161.09636	3.6
161.13211	2.9
163.11221	5.5
171.11742	4.6
173.13345	5.1
175.11223	5.7
177.12747	3.5
179.10747	4.1
187.11256	6.1
189.12741	23.9
191.14377	5.9
192.11453	4.2
197.11703	11.5
207.13789	57.7
207.15572	3.8
215.14430	5.2
217.12236	3.2
233.15277	16.0
245.15555	2.4
270.83691	2.9
273.18652	6.8
291.19531	44.1
291.22702	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
54.04719	2.3
54.66204	1.8
55.05494	3.2
59.03644	2.1
67.05481	10.9
69.03388	3.0
69.07044	2.7
70.34356	2.0
71.04974	4.7
79.05467	2.8
81.07030	10.7
83.04955	7.0
85.06526	5.0
87.62936	2.4
91.05434	5.8
92.26600	2.3
93.07024	8.6
95.04963	14.2
95.08584	10.6
98.68512	2.3
105.07023	8.1
107.08575	17.4
109.06494	5.0
109.10164	4.9
111.08029	5.7
113.92976	2.5
119.08579	6.6
121.06447	6.5
121.10128	9.0
123.04417	29.7
123.08063	6.3
125.09656	6.4
131.08560	6.0
133.10149	4.3
137.09578	2.6
143.08549	3.8
145.10129	9.3
147.11740	3.2
149.09619	10.7
151.07607	3.6
158.10796	2.5
161.09587	3.5
165.09138	5.0
167.10728	2.7
173.09584	3.5
179.10674	8.9
187.14880	3.1
215.14252	4.7
233.15239	2.7
258.25928	3.2
261.88391	3.1
273.18442	9.4
278.07529	2.9
291.19510	100.0
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	Tuberatolide A
Peak:m/z	Relative Intensity
53.33084	6.0
55.01859	10.4
55.05495	13.0
56.96556	9.2
67.05491	27.2
69.07066	20.7
79.05480	31.6
81.03393	8.8
81.07033	40.6
83.08598	12.4
91.05463	54.0
93.07050	40.1
95.04960	20.7
95.08593	24.3
105.07009	56.7
107.04953	18.3
107.08594	13.1
108.62695	7.7
109.06509	20.9
109.10144	8.0
111.08121	6.6
115.40651	6.7
117.07048	10.2
119.08574	28.1
121.06479	10.8
129.07001	14.9
131.08569	26.9
132.27763	7.0
133.06477	30.2
133.10147	34.5
135.08051	14.0
143.08586	12.8
145.10133	23.4
147.08008	13.4
147.11687	21.0
147.55203	6.7
157.10109	25.5
171.11649	13.2
175.11171	49.3
189.12788	10.5
217.12437	10.0
273.18518	22.6
291.19568	100.0
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
67.05473	12.6
71.04990	8.6
75.79182	5.3
79.05492	6.4
81.07070	12.4
83.04943	9.6
91.05453	6.7
91.71637	13.1
92.68872	6.0
93.07024	16.3
95.04955	12.2
95.08607	12.4
97.60678	5.7
105.07027	8.3
107.08594	14.1
109.06572	6.8
119.08592	20.6
121.10130	9.8
123.04420	17.5
123.34144	5.9
131.08607	12.9
145.10117	10.6
147.11658	15.9
159.11615	7.3
179.10674	13.9
197.13216	9.0
213.16531	10.2
231.17461	19.7
255.17502	9.8
273.18594	14.4
290.26831	7.5
291.19449	100.0
291.27045	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.92649	8.4
55.05494	28.9
56.96555	13.3
67.05492	36.7
69.07046	19.9
79.05498	62.0
81.07049	70.7
83.08627	10.5
84.19324	12.1
86.79382	9.6
91.05470	49.0
93.07044	35.1
95.04926	23.8
95.08591	37.4
96.50236	11.6
97.10186	11.9
105.07005	27.0
109.06533	15.0
114.30385	12.4
117.06984	20.3
119.08590	36.6
121.06518	17.4
123.08072	11.6
145.10034	17.9
147.08058	33.6
161.09753	13.1
196.86038	11.7
249.14865	13.5
266.28049	14.9
273.18600	28.5
278.87265	14.2
284.99860	13.5
291.19516	100.0
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	Tuberatolide A
Peak:m/z	Relative Intensity
50.47089	1.1
55.05509	2.4
59.49893	1.5
60.58294	1.2
63.20201	1.2
67.05499	2.7
69.03418	3.2
69.07064	11.1
71.04996	2.3
73.72153	1.3
79.05492	8.7
81.07053	5.9
83.04994	2.7
83.08633	1.7
91.05466	5.8
91.06134	1.2
93.07035	25.9
95.04989	3.0
95.08594	5.4
97.06532	3.0
105.07005	12.4
107.04925	2.6
107.08574	9.0
109.06491	14.2
109.10165	2.2
111.11710	3.3
119.08581	4.6
121.10137	37.6
123.08029	3.6
125.09604	3.5
131.08577	2.8
133.06517	2.0
133.10123	2.8
135.08046	4.1
135.53490	1.7
141.10551	1.5
145.10188	2.9
149.09612	13.9
167.10661	100.0
173.09770	1.7
173.13231	2.3
175.11131	2.6
189.12933	2.1
191.10767	1.5
191.14345	4.1
197.13309	2.4
213.16470	1.6
215.14301	2.6
219.04160	1.7
233.15288	9.8
271.95139	1.7
273.18542	5.1
291.19559	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.28254	3.5
55.05483	12.5
57.07045	3.9
67.05495	8.3
79.05494	7.0
81.07055	15.3
83.04969	5.1
83.08594	8.5
86.40226	4.0
91.05481	7.1
93.07023	14.6
95.04937	5.6
95.08594	20.3
97.06539	7.1
105.07033	11.1
107.04950	15.3
107.08601	11.2
109.06490	6.9
111.08076	45.7
119.08580	10.4
120.08505	4.5
120.11355	4.4
121.10144	11.8
123.08045	32.5
131.08549	8.5
133.10165	9.3
135.08121	8.3
147.11665	9.0
149.09692	6.5
151.07530	100.0
173.13243	8.9
189.12767	18.6
191.14357	22.2
197.11771	12.5
207.13782	47.5
231.12219	5.4
233.15359	48.9
273.18518	8.2
291.19473	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	21.8
56.96545	6.4
57.07066	12.7
58.06570	15.0
63.72389	6.6
64.74860	6.4
65.12730	7.5
67.83498	6.3
68.74059	6.2
69.03400	6.6
69.07054	10.1
71.08604	8.8
74.06062	19.5
81.07023	13.6
88.07607	60.1
93.07046	13.1
95.08536	7.4
105.07019	12.9
107.08587	10.4
118.08624	10.2
130.34688	8.1
131.08559	10.1
141.07600	10.3
149.09619	43.4
175.08502	7.5
184.03535	7.9
207.13779	18.3
222.09964	8.9
233.15315	11.0
242.24817	18.7
243.25082	37.5
290.26825	54.6
291.19492	34.1
291.27231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05532	18.5
56.14579	13.7
62.18345	15.9
65.95099	13.2
67.05513	28.3
68.54372	13.2
68.83652	12.3
69.07079	46.5
81.07049	80.4
83.08632	33.4
91.05475	16.4
91.71775	14.3
93.07041	36.6
95.08609	100.0
105.07006	16.9
107.08593	26.0
109.10204	54.6
115.18831	14.4
119.08652	20.2
121.10140	16.1
123.11751	23.9
135.11766	33.2
149.13344	20.5
163.14845	20.8
196.44228	16.4
203.81165	16.1
274.00830	20.0
291.26709	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05502	16.1
56.58636	2.1
57.03429	1.8
57.07048	9.4
67.05489	11.5
69.07058	64.3
71.08617	3.7
79.05469	3.2
81.07043	49.5
83.08608	25.9
93.07019	9.9
95.08596	33.2
97.10146	10.7
105.06993	3.0
107.08570	9.3
109.10159	23.5
111.11720	20.3
119.08553	4.8
121.10134	7.2
123.11699	13.3
135.11681	9.3
137.13242	5.9
149.13214	6.3
161.13220	2.8
163.14850	4.9
175.14893	2.8
177.16418	2.5
181.15869	5.2
181.58084	2.8
184.47691	2.4
191.18073	2.6
194.15559	2.4
207.17439	2.9
256.89526	2.5
273.25528	4.8
291.26788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
54.38254	5.5
54.86266	6.3
67.05484	34.6
69.07041	25.1
79.58184	8.5
81.07049	68.3
83.08609	14.4
93.07011	11.2
94.23811	7.3
95.08595	100.0
95.59597	6.5
96.24552	6.7
99.59373	8.2
105.06997	9.1
107.08601	13.2
109.10168	57.8
123.11715	33.6
133.10162	7.8
135.11624	15.0
137.13219	9.6
149.13237	10.6
151.02632	8.5
151.14827	15.6
163.14810	8.8
175.14951	9.1
202.99040	8.5
216.99704	8.1
254.46837	9.6
273.25650	13.1
291.26804	14.9
296.68753	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.84009	12.4
51.53480	14.3
55.05535	26.7
55.75448	15.6
56.36905	15.1
56.96578	22.1
57.07083	27.6
59.06621	13.3
67.05509	59.8
69.07080	78.5
71.04987	15.9
71.96848	16.2
74.98299	17.3
75.04803	14.6
79.05483	18.7
81.07041	100.0
91.05535	30.4
93.07088	54.4
93.23425	17.0
95.08627	87.4
105.07055	35.0
107.04929	18.7
107.08644	75.5
109.10239	49.3
119.08588	31.3
121.10182	63.6
123.11706	27.7
132.54985	19.3
135.11737	40.0
138.46919	20.5
152.24825	19.0
163.14847	54.4
191.17975	21.8
195.83296	19.4
291.19757	27.6
291.26852	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	292.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48423	5.1
56.96539	6.7
61.30814	5.4
68.09053	5.6
70.06578	14.2
86.83376	5.1
88.03983	100.0
88.07603	6.7
92.44270	5.6
94.34902	6.6
98.09712	32.2
100.33308	7.0
103.03965	7.2
144.10184	18.4
246.13342	98.3
292.07886	7.2
292.13858	15.3
313.49646	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23122	11.1
55.97300	13.5
57.42626	11.8
69.64867	14.4
72.12849	12.0
101.22343	15.1
111.54747	15.0
211.78812	16.0
293.06247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
78.96752	19.6
96.87840	17.7
111.69322	17.5
112.10768	17.4
112.89584	24.7
148.25540	18.3
188.27957	20.7
293.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	(+/-)-Altenuene
Peak:m/z	Relative Intensity
51.80851	0.5
55.01854	0.7
55.47819	0.6
56.96551	0.7
58.16097	0.5
58.45633	0.5
59.57319	0.5
60.04506	0.5
63.91448	0.5
66.24634	0.5
67.05475	2.1
67.49023	0.5
68.99782	0.7
70.02923	1.1
70.06586	8.5
71.01337	1.3
72.08133	1.4
77.03912	0.9
82.06580	0.6
84.08149	1.0
86.06046	0.6
86.09718	1.1
88.03990	2.7
90.20725	0.6
91.05461	1.6
91.78606	0.5
95.04962	3.0
98.97585	0.7
105.03372	1.1
107.04945	3.7
107.93253	0.5
109.02878	0.9
109.06535	0.7
119.04919	1.9
121.02830	0.7
123.04425	100.0
124.04671	0.8
135.04431	2.0
137.05981	4.2
141.07043	0.8
145.06450	1.1
147.04416	3.1
151.06294	1.0
153.05466	9.0
162.05524	0.7
163.07552	1.8
164.07024	3.9
165.05533	1.4
165.06934	1.4
169.06464	0.7
171.06499	6.3
173.05971	10.1
183.06560	5.5
183.08070	0.8
187.07439	0.9
201.09064	0.7
208.67743	0.6
211.07484	2.8
215.07072	1.7
224.09151	7.0
229.08611	1.3
239.06999	1.3
257.08047	6.2
275.09158	8.4
293.09952	0.6
293.14923	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	293.1165
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
50.65807	2.9
50.94790	2.9
55.01854	4.4
60.04531	3.3
61.01134	16.6
63.18383	3.0
72.04513	21.6
78.03780	41.0
81.03439	5.7
85.02892	18.0
86.06071	6.7
91.71640	4.9
99.04454	12.7
102.03751	52.0
102.76222	3.8
103.02126	6.1
103.03938	44.5
104.01637	3.7
109.02856	4.9
114.03770	6.1
120.04813	9.6
126.05517	38.0
127.03903	14.1
131.06375	19.3
132.04785	16.5
146.69334	4.6
149.07434	100.0
152.07022	6.4
154.08672	8.3
175.05421	5.1
180.06531	25.7
198.07600	7.4
214.93430	3.4
222.88435	4.1
225.43947	4.5
231.11656	9.1
249.33485	4.1
293.08563	3.0
293.11621	77.5
293.14731	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13352	6.4
83.90014	7.0
86.09711	7.5
91.71005	6.8
138.05324	24.5
152.27534	6.9
169.67828	8.2
185.01999	7.4
196.09441	33.2
244.04305	8.6
293.14685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03537	3.3
54.48265	2.7
56.96545	4.3
58.25392	4.0
59.04951	2.7
65.44781	3.0
67.05487	5.1
70.02943	4.0
70.06582	100.0
72.08148	10.3
74.60775	3.5
76.30110	3.8
80.60810	3.2
84.04506	8.1
84.08133	9.5
86.09696	13.5
88.03977	26.9
91.05454	10.6
104.36121	4.2
104.98241	4.1
108.83219	3.9
116.87041	3.7
117.05522	3.5
117.08636	3.6
118.06533	4.9
119.04924	6.7
123.04427	43.1
129.10262	4.1
132.98492	3.7
135.04390	6.1
137.05965	23.4
146.05986	6.9
151.06305	7.5
164.07031	28.4
176.14320	4.3
202.23988	3.5
205.03577	11.7
224.09172	96.7
249.31300	3.9
293.14886	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	293.2086
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.93830	2.7
57.07047	3.3
67.05492	3.2
80.76974	2.8
81.07053	4.5
88.53611	3.3
93.07044	3.5
94.52799	2.9
95.08586	3.5
118.12708	3.0
137.05942	6.4
152.46425	3.3
158.07785	3.4
183.66698	3.9
254.01797	3.8
293.20831	100.0
293.24130	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.30823	4.1
53.03926	16.1
55.01874	14.3
55.05502	52.5
55.15402	5.2
65.33475	4.9
65.81598	5.4
67.05492	45.5
69.07054	29.1
79.05473	28.7
81.03409	35.2
81.07054	55.3
83.04962	8.4
83.08611	65.9
91.05489	28.0
93.07024	28.0
95.04960	21.2
95.08618	18.6
95.72163	6.8
96.80307	4.9
97.06495	9.9
105.07023	34.4
107.04952	29.1
107.08584	17.7
109.06496	8.0
117.07011	9.4
118.11341	6.5
119.08579	21.2
121.10139	19.9
131.08600	16.4
133.10107	15.0
135.11711	13.0
145.06435	8.1
145.10112	29.5
145.25896	5.8
149.09610	20.6
154.23174	6.5
155.08586	7.0
155.48669	6.2
163.11134	28.8
165.12679	7.7
168.85468	6.1
173.09579	15.5
175.11165	6.1
178.35873	5.5
191.10628	10.2
201.12747	6.5
270.79913	6.7
275.20050	18.5
293.21060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.01862	4.9
55.05492	10.8
55.72151	2.7
57.03433	4.0
59.24718	3.0
67.05492	31.5
69.07056	14.7
79.05486	25.2
81.03413	3.4
81.07050	100.0
81.95284	3.3
83.04956	7.5
83.08610	7.7
84.03635	2.9
84.76061	3.5
86.23714	3.4
91.05492	23.2
92.09701	3.4
93.07043	22.4
95.04958	13.4
95.08617	23.6
95.12584	3.4
97.06532	6.2
101.12470	3.5
105.07011	16.2
107.04897	7.9
107.08607	11.2
109.06515	29.9
109.10147	10.7
113.25090	3.6
119.08598	11.3
121.10150	9.3
123.08099	9.3
125.09661	5.5
131.08565	11.9
133.10144	10.3
135.11630	5.0
137.09668	4.8
145.10146	7.8
147.11710	8.4
149.13177	3.9
151.11234	5.3
159.11722	5.4
163.11139	6.0
185.13159	3.7
186.87141	4.0
192.14229	3.5
203.60521	3.7
275.20038	39.3
281.23474	4.1
293.20996	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01862	5.6
55.05505	14.1
57.07051	3.6
65.98398	3.0
67.05497	44.3
69.07064	33.5
71.05006	4.9
71.61953	2.7
78.00361	3.5
79.05496	16.7
81.07049	50.3
83.04964	10.2
83.08614	5.2
85.06543	4.7
91.05472	29.1
93.07032	38.0
95.04956	11.7
95.08601	38.6
97.06488	3.1
97.10146	3.9
105.07020	36.5
107.04971	7.9
107.08566	26.7
109.06516	12.5
109.10148	13.8
111.34478	2.4
117.07030	6.3
117.39992	2.6
118.50014	2.8
119.08570	20.5
121.06490	11.9
121.10165	14.6
123.08083	5.8
123.11668	5.9
125.09682	3.9
125.65080	2.9
131.08578	18.2
133.10155	23.2
135.08035	7.0
135.11700	7.0
137.09596	3.4
145.10127	13.8
147.11682	15.1
149.09657	6.4
149.13293	7.7
151.11153	11.9
155.08525	3.0
159.11696	10.6
161.13246	6.6
163.11211	5.5
163.14903	3.2
173.13301	8.3
175.11154	4.5
177.12831	4.9
191.14345	4.1
201.12752	3.9
210.18178	3.0
212.56375	3.3
219.13823	5.1
257.19058	8.3
257.22809	4.1
275.20047	100.0
293.21100	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01875	6.0
55.05510	8.6
56.96556	4.5
65.03937	3.1
66.37344	3.2
67.05497	34.0
68.53362	3.4
69.07078	13.6
71.05002	5.9
79.05466	20.3
81.03400	4.2
81.07051	100.0
83.08630	7.0
84.61953	3.4
85.31564	3.2
88.02186	3.8
91.05466	21.8
93.07038	20.5
95.04983	10.6
95.08600	22.1
97.06554	7.1
105.07059	19.7
107.05003	5.2
107.08627	13.0
109.06506	39.6
109.10143	5.6
117.07084	8.0
119.08559	20.3
121.06563	4.8
121.10162	12.1
123.08105	11.0
129.07022	3.7
131.08632	5.9
133.10176	16.6
135.08110	4.3
135.11748	4.4
136.41309	3.4
145.10176	5.9
147.11653	18.3
149.09674	7.1
151.11200	5.7
157.10110	4.2
159.11794	7.1
163.11232	4.4
175.11171	5.4
196.19798	4.3
239.18063	5.3
242.43411	3.6
245.53101	4.1
257.19037	5.5
262.08191	3.9
275.19974	31.3
293.21121	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.80820	3.9
53.03952	4.0
55.05494	23.2
57.03433	30.0
58.26293	4.6
59.97036	4.3
65.03931	5.7
66.22543	4.2
67.05507	43.8
69.07055	13.1
79.05148	4.7
79.05492	50.1
81.07056	51.1
83.08609	12.1
85.06513	13.7
91.05469	68.5
93.07034	96.4
93.07574	9.8
95.04965	10.5
95.08606	22.7
105.07034	73.9
107.08573	44.7
109.06549	12.7
109.10136	7.9
111.36276	5.2
117.07017	18.9
119.08582	56.3
121.06546	7.2
121.10139	15.1
123.08070	7.7
129.07033	8.9
131.08563	27.7
132.58980	6.3
133.10114	30.0
135.08038	6.7
135.11681	7.8
137.09596	6.5
143.08557	8.7
143.21017	6.4
145.10155	21.2
147.11670	27.2
149.09619	14.5
157.10228	9.1
159.11710	21.2
161.13232	16.2
163.11168	9.0
169.10214	7.0
173.13281	12.5
175.14780	7.2
182.98862	5.4
185.13252	44.1
201.16422	18.3
203.14343	24.3
219.17455	47.4
221.15350	34.4
236.88402	6.1
257.19104	20.8
275.20059	100.0
293.21100	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01860	4.6
55.05505	30.2
56.96568	4.6
57.07069	10.6
60.88571	3.7
67.05483	26.5
69.07047	15.4
75.50574	3.7
79.05489	20.8
81.03403	7.4
81.07047	34.4
83.04984	6.8
83.08601	21.4
84.31905	4.6
91.05469	17.4
93.07030	25.2
95.04954	100.0
95.08592	15.2
97.10162	18.9
98.98480	5.1
105.07036	18.4
107.04956	5.5
107.08569	29.3
109.06487	9.7
109.10162	10.4
111.04457	6.8
111.08046	6.2
117.06982	7.3
119.08604	12.2
121.06509	6.4
121.10146	14.4
123.08050	6.9
125.09621	8.1
131.08586	9.0
133.10146	6.6
135.08112	5.8
135.11659	4.9
136.20186	4.3
141.01500	5.3
145.10109	16.1
147.11710	6.2
149.09607	32.8
163.11169	17.1
171.11565	5.4
189.11217	7.6
191.10666	6.0
209.11734	9.6
219.45099	4.9
223.13245	35.1
237.11275	16.8
257.19058	6.4
267.60974	4.5
275.19965	34.9
293.17459	8.4
293.21097	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75858	10.5
54.67368	12.3
55.05488	46.7
57.07067	83.6
60.13016	11.6
62.16305	12.1
67.05479	62.0
69.07057	91.5
71.08619	43.0
78.54308	14.0
79.05474	35.8
81.07040	100.0
83.08607	46.5
84.96018	13.1
85.10173	16.3
86.81679	12.8
93.07034	70.1
95.08595	83.2
107.08574	68.9
107.99187	13.5
109.10124	47.1
111.04427	34.8
112.89658	12.4
121.10165	39.7
123.60682	12.8
125.05990	21.7
130.72607	14.5
135.11710	20.4
153.09138	25.0
167.10629	22.7
181.12392	17.6
209.15373	21.2
223.17021	28.1
236.63649	17.6
237.11459	18.2
237.18501	48.3
251.19991	18.1
269.45447	16.8
293.21121	15.3
293.24869	41.1
309.72046	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	293.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	61.8
57.07069	85.9
61.87176	9.9
63.60480	10.4
67.05496	49.0
69.07063	80.6
71.08621	58.0
74.72900	10.7
77.69525	11.2
79.05492	23.0
81.07054	100.0
83.08611	27.4
83.89767	9.5
91.71680	19.7
93.07040	48.2
95.08600	92.5
97.06548	12.3
97.10176	15.2
107.08615	37.5
109.10175	41.1
111.04450	28.1
121.10151	46.3
135.87688	13.8
137.13229	16.8
149.13257	15.7
157.04778	11.8
167.10703	23.5
180.02853	11.9
181.12254	24.6
191.75395	12.5
195.13843	30.1
199.07701	13.6
223.16927	34.2
237.18491	44.9
280.76974	14.2
293.24783	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.05494	26.9
57.07063	27.4
64.87897	7.5
67.05490	34.7
69.07056	85.0
71.08641	8.6
81.07051	70.0
83.08595	38.7
93.07063	15.2
94.08031	8.6
95.08606	83.7
97.10159	18.5
103.76123	7.8
107.08588	13.7
109.10155	61.7
111.11729	17.5
123.11744	24.0
149.13362	9.7
180.32742	9.8
244.42563	11.5
275.27255	12.3
293.28326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0826
Annotation	CHEBI:83637
Peak:m/z	Relative Intensity
55.01877	0.7
59.38549	0.9
70.06597	1.6
72.08150	1.2
78.96787	1.2
79.05466	5.7
81.72198	0.9
84.08138	1.2
86.09719	1.4
87.02705	2.0
91.05501	3.0
91.70992	1.9
93.07076	4.8
95.04967	1.3
95.08635	1.0
97.01102	1.2
99.02695	3.1
101.04271	1.0
104.98315	23.5
104.98991	1.5
107.04996	1.2
111.02685	3.0
113.04259	1.9
121.06536	3.1
125.04216	7.3
127.52412	1.3
129.03760	1.3
129.95782	1.1
140.11577	1.1
145.01401	2.9
153.03703	2.3
159.02972	11.3
173.06354	1.5
187.02533	4.2
205.03513	100.0
294.08224	7.4
303.00009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52261	3.1
55.01873	4.0
55.05505	4.9
56.05029	9.4
56.96558	7.6
57.03412	7.9
59.03727	5.8
60.04505	4.0
68.05022	4.0
69.03421	19.1
69.07046	9.4
70.06580	34.1
71.04972	5.5
72.08145	27.6
79.05464	3.5
81.03418	8.1
81.29469	3.4
84.04486	19.6
84.08133	73.7
85.02887	13.5
86.06049	14.3
86.09698	65.0
87.03204	15.6
88.03985	30.6
96.04491	6.0
97.02880	18.8
98.09706	15.2
99.04417	6.2
108.04401	4.3
110.06030	5.5
112.03996	11.0
120.08081	30.7
121.06522	11.8
121.08415	5.1
126.05553	4.6
127.03931	6.5
128.10701	10.8
129.10246	11.5
132.10188	30.6
137.05952	5.6
138.05511	15.9
144.10178	7.5
147.11330	5.2
156.06624	4.0
161.06857	6.1
164.07043	9.3
178.08589	3.8
194.08148	4.8
204.04724	4.2
206.08345	4.5
212.12834	7.8
222.05756	6.6
230.13885	54.7
234.07486	6.1
248.14972	13.7
258.13336	48.8
262.68704	4.1
276.09244	4.4
276.14407	100.0
276.20755	5.7
293.23450	9.1
294.09833	22.0
294.13458	6.3
294.18198	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	294.17
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
67.05497	4.3
69.07050	5.0
70.06574	14.7
71.43787	3.0
72.08141	9.0
77.10394	4.0
81.07066	7.1
84.04520	5.4
84.08122	10.8
86.09683	11.7
88.19330	3.1
91.05461	4.8
99.49174	3.3
101.14984	3.4
103.05459	16.6
107.04922	5.0
108.46238	3.4
115.05457	3.9
117.07021	9.8
120.08097	11.4
123.04442	14.4
131.04921	39.7
137.05984	12.0
142.22612	3.8
145.06477	20.1
147.04401	8.2
149.05971	93.2
161.05931	8.8
162.11394	3.4
163.07550	23.4
164.07053	12.2
165.05476	26.5
165.06654	3.9
175.07434	5.3
187.58214	5.1
198.31712	3.5
241.12065	4.0
259.13312	7.6
272.52933	4.1
277.14301	11.0
294.16998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22186	3.4
55.01865	5.8
57.07070	55.4
57.52106	3.5
61.08038	3.2
63.60554	3.5
65.82908	2.9
70.80294	3.4
71.99090	3.1
74.41482	3.4
78.99282	3.5
81.41189	3.7
91.05494	6.4
91.71626	4.2
105.07050	5.3
109.06586	4.0
117.06977	4.9
121.06485	4.2
130.84894	4.0
133.10225	5.7
137.06020	7.9
161.09618	81.6
161.67471	3.9
165.05493	25.7
175.11240	14.3
175.95615	3.8
179.10625	22.1
203.10649	34.2
203.12012	3.3
221.11703	100.0
256.98215	4.1
262.14493	16.2
277.17920	5.1
294.20956	4.1
319.77603	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	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49823	0.5
52.17158	0.5
52.89365	0.4
57.07055	1.2
64.54860	0.5
66.04729	0.5
71.08609	1.1
81.07048	1.3
82.47900	0.5
89.45575	0.5
91.05462	0.8
94.04164	3.7
100.23432	0.6
102.57033	0.5
103.25020	0.5
111.47560	0.5
114.69191	0.5
122.03638	7.3
132.34262	0.5
137.05972	100.0
138.06258	0.6
141.12724	1.2
143.36462	0.5
184.08569	0.5
261.25003	0.6
310.06558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.77708	0.2
51.78294	0.2
57.07071	0.5
57.35529	0.3
65.03912	0.4
66.04704	0.6
67.05495	1.0
71.08598	0.6
73.82606	0.3
79.05496	0.4
81.07048	2.2
83.52202	0.3
85.65988	0.4
90.91389	0.4
91.05453	0.6
94.04186	3.2
109.06528	0.5
114.09156	0.4
122.03640	7.2
123.11687	1.2
128.93913	0.3
131.16891	0.3
137.05974	100.0
138.06308	0.4
138.70366	0.3
148.26381	0.3
153.95023	0.3
158.15399	1.2
170.15370	1.7
289.26984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	55.9
58.02932	32.7
64.28092	31.1
67.05492	50.4
69.07053	100.0
81.07047	53.9
83.08607	37.4
86.14629	23.3
93.07063	23.2
95.08631	32.8
97.19170	24.7
98.85950	23.6
100.07594	23.8
102.63636	23.5
114.09164	34.1
152.82614	24.3
240.62181	29.5
247.20523	29.5
265.34506	27.2
267.95432	31.8
294.27826	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91108	10.7
55.05510	70.4
57.07067	30.7
58.02947	58.0
67.05483	44.2
69.07061	90.7
70.61127	13.2
71.12540	12.1
81.07041	56.6
83.08594	53.1
95.08589	44.9
97.10160	29.7
100.07617	15.4
109.10175	44.8
114.09144	26.2
128.10722	25.8
142.12263	15.9
149.78415	13.2
159.38315	16.0
171.32304	13.2
218.01204	16.2
248.01733	14.3
294.27908	100.0
313.62027	16.4
316.34937	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	295.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66998	0.5
53.00310	3.4
55.01833	0.5
56.07500	0.5
60.01744	0.5
63.40490	0.8
65.89240	1.1
68.05000	0.8
69.08850	0.6
70.06560	1.2
70.99557	0.9
71.45776	0.6
72.08125	2.5
75.77457	0.6
81.04523	0.7
84.08115	1.4
86.09695	1.6
91.71034	0.8
93.04510	1.4
94.02953	0.7
95.02415	1.1
96.01659	0.6
99.00113	0.7
100.00903	0.9
105.04519	0.8
105.88779	0.6
112.02175	0.6
120.05593	0.9
121.08329	0.8
127.03195	0.9
129.10286	1.0
131.02414	1.4
135.06612	1.3
136.05038	2.1
136.07579	1.4
136.08585	0.9
137.01659	1.7
137.06017	0.8
139.03241	8.2
140.02792	5.3
141.01175	3.5
146.07071	0.7
147.07863	1.3
149.03448	0.9
149.52917	0.6
164.02733	1.8
165.01196	3.0
166.04311	2.0
178.00674	0.8
178.04286	0.7
180.05914	6.1
183.02274	6.3
184.01756	3.9
185.00182	3.3
192.02254	1.0
193.00659	2.3
205.05405	1.5
207.07014	1.8
209.00146	1.0
210.03316	12.0
231.03288	3.9
233.04903	25.3
248.31345	0.7
251.05948	40.4
267.18604	0.6
277.03876	100.0
278.04050	0.9
295.04935	20.9
295.10089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.5
56.96544	3.7
59.63534	2.1
67.05479	2.0
69.07031	2.5
81.38396	2.2
93.80279	2.4
96.78143	2.2
97.02885	2.6
99.04387	2.2
107.80355	2.4
121.06481	4.0
135.12518	2.5
155.06078	13.1
179.06026	31.5
194.28482	2.3
207.05566	38.9
211.05045	4.2
225.06613	4.3
235.04933	12.2
253.06053	73.9
263.04532	63.3
267.07602	6.8
271.42377	2.9
294.08569	2.7
295.07114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.3
57.43727	0.1
58.99567	0.2
60.61877	0.1
61.53025	0.2
65.03938	0.8
65.21924	0.2
65.90152	0.5
66.08502	0.2
68.05022	0.8
69.04529	0.4
69.07069	0.2
69.98771	0.5
70.06579	0.2
70.99557	0.5
71.46680	0.2
72.08131	0.2
79.91498	0.2
82.98314	0.2
83.04965	0.5
84.04480	0.2
84.08113	0.2
85.01109	0.5
86.01882	0.7
86.09669	0.3
87.02666	0.7
87.27810	0.2
93.04512	0.7
94.04028	0.5
94.05287	0.9
95.02444	0.4
95.06063	0.7
97.01157	0.3
99.02670	0.8
100.02146	0.2
102.03786	0.3
107.04891	0.2
109.06403	0.2
109.07603	0.2
110.07156	4.3
112.02185	0.3
114.03703	0.2
115.02124	1.8
119.06040	1.6
120.08055	0.3
121.06374	0.2
121.07683	0.2
126.02470	0.5
126.04241	0.6
127.03255	2.2
135.06650	19.3
136.05064	1.4
146.07111	0.9
148.08670	0.2
151.03264	0.6
152.02751	2.3
152.04022	2.8
153.04749	0.5
154.06097	0.5
158.07188	0.2
158.49826	0.2
161.04640	0.2
162.10312	1.0
165.03610	0.3
165.04822	1.1
166.04298	0.2
172.07484	0.3
176.02751	1.9
176.04199	0.2
177.03540	14.2
178.00699	0.4
178.04311	1.6
179.05109	6.3
180.05937	0.3
183.05864	2.0
184.05414	0.5
185.03790	0.5
185.08217	3.1
187.09772	7.0
188.08287	0.2
190.04411	0.2
191.10458	0.2
192.05879	1.5
193.04306	1.4
194.07396	0.3
195.03320	1.6
197.02896	0.9
203.03780	3.0
203.05373	0.2
205.05380	0.4
210.06940	9.1
213.07687	0.9
214.08461	1.3
217.05412	7.4
218.06192	11.6
219.06961	2.1
220.07753	24.7
221.08528	1.7
232.04135	0.6
233.04930	0.4
233.08513	3.4
245.04863	1.7
246.05673	38.0
247.06453	6.6
251.09581	68.7
252.09839	0.6
259.06458	11.2
277.07498	100.0
278.07693	1.2
294.10080	0.2
295.08557	34.8
296.08762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52620	0.6
54.94078	0.6
55.01872	0.8
56.67321	0.6
57.04565	0.9
61.43478	0.7
70.06564	1.0
81.88577	0.7
82.45947	0.7
83.95847	0.8
84.04468	0.9
84.08141	1.7
86.06075	0.7
86.09659	1.0
89.90228	0.7
94.04041	2.5
96.05607	0.9
99.54711	0.6
107.04948	2.3
123.06696	3.5
129.10168	1.2
146.37642	0.7
148.04793	0.8
150.07748	100.0
233.20985	0.7
289.18362	0.8
295.11615	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
56.05042	2.9
63.45383	1.7
67.71870	1.9
69.11365	1.8
69.82547	1.8
70.06591	3.5
71.08578	1.6
73.46989	1.8
74.54722	2.1
81.03410	2.6
84.04491	44.8
84.08133	4.7
85.02859	1.8
86.09702	2.7
86.46881	2.0
91.05472	2.2
93.07014	2.4
102.05555	2.0
103.05470	9.9
107.04918	2.5
120.08099	100.0
121.06428	2.2
129.10266	3.9
130.05009	5.0
131.04929	3.6
136.07516	2.4
148.03882	3.9
148.66548	2.0
149.06030	3.1
166.08626	35.2
176.35841	2.6
186.09111	9.9
209.29022	2.2
232.09705	6.6
278.10193	5.9
295.12881	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09093	1.1
51.53123	1.1
61.01127	1.2
63.98207	1.1
67.05475	1.2
69.07021	1.6
70.06577	4.4
71.02381	1.0
72.16578	1.2
79.85433	1.1
84.04491	2.1
84.08125	3.7
86.09686	6.0
86.40616	1.4
91.05463	1.9
137.05980	1.6
149.04747	1.8
162.44621	1.5
164.07057	100.0
165.08789	1.4
171.87721	1.7
287.90701	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	16.2
58.66787	6.8
64.91970	7.0
67.05525	11.7
81.07051	8.8
85.02875	11.0
95.08605	10.3
109.10159	9.1
110.22558	7.9
137.05983	13.9
143.79358	8.3
166.77646	7.7
185.86250	8.4
190.99817	8.5
271.21204	9.0
295.15131	100.0
296.28607	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	295.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46920	4.3
54.34320	4.3
54.34634	5.1
55.05500	8.6
56.11800	4.8
58.96512	5.5
62.40522	5.1
67.05468	4.6
70.06568	11.9
84.04482	7.6
84.08129	6.9
86.09714	9.0
86.61996	5.3
91.05485	7.6
91.71764	5.5
92.42581	5.5
95.66679	5.3
96.13844	5.4
97.69194	5.1
106.93856	5.4
120.08096	7.0
135.06696	7.1
151.06375	11.9
164.07059	17.6
177.07823	56.5
178.08643	7.4
226.41234	6.1
246.05714	15.7
251.09589	23.6
277.03735	7.5
277.07510	30.8
278.13864	100.0
295.08719	8.5
295.16748	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	295.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51065	4.2
55.05514	4.6
56.96539	7.0
57.07065	8.2
59.07961	4.4
63.94957	5.0
67.05481	6.3
69.07053	14.2
74.19341	5.7
75.59176	5.4
79.05490	20.0
82.80943	5.7
83.00973	4.8
91.05475	16.6
93.07057	6.4
95.04967	6.0
103.05463	12.9
105.07014	88.1
106.07802	6.2
108.32940	5.4
110.78596	5.9
117.80145	5.2
133.06442	57.2
134.07291	29.4
135.08038	100.0
151.07585	16.1
160.84779	7.8
163.84323	6.0
165.03712	46.3
167.05338	8.5
179.05312	8.8
226.29666	6.5
255.60364	8.0
277.16226	23.3
295.17035	13.9
305.05807	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54670	2.3
55.05506	2.9
57.07060	4.1
62.55545	2.4
68.98197	2.5
69.07054	15.3
71.08624	4.4
76.19187	2.5
79.05479	14.6
87.02673	3.4
91.05476	13.4
91.70998	5.3
95.04956	4.8
103.05459	11.3
105.06314	4.2
105.07026	75.6
106.07809	13.6
107.15927	2.9
133.06483	43.7
134.07262	29.5
135.08038	100.0
137.04172	4.6
143.08936	4.2
149.45085	4.1
151.07542	13.9
155.19884	3.1
157.55081	3.3
163.95428	3.1
165.03685	41.1
167.05275	13.4
179.05280	8.6
190.56314	3.0
198.70264	3.0
209.07912	3.5
224.89772	3.2
225.53978	3.8
277.16135	25.4
295.17065	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	295.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.4
57.07062	15.6
59.50961	5.0
66.21397	6.0
67.05488	21.2
68.86301	5.9
69.07054	25.4
71.08617	9.6
79.05487	21.3
81.03407	15.1
81.07047	18.2
83.22675	5.9
91.05480	15.3
93.07046	11.7
95.04972	16.5
95.08595	12.3
103.05473	19.7
105.07021	96.6
106.07794	15.6
107.08623	13.3
109.10109	11.4
119.08656	5.8
133.06497	60.3
134.07297	42.1
135.08052	100.0
136.23312	6.6
139.14717	7.1
151.07547	24.8
151.11134	8.9
154.54976	6.9
165.03699	46.7
166.36287	6.9
167.05267	11.2
179.05313	12.5
188.44553	7.4
231.21130	10.6
277.16272	20.6
277.21561	7.3
295.17297	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	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03011	3.8
55.05472	3.9
57.07065	7.1
64.62274	4.7
69.07058	16.0
71.08646	9.6
79.05485	22.0
82.36476	4.9
82.43492	4.3
87.02686	8.2
91.05476	13.7
95.04951	7.0
103.05462	13.7
105.07025	88.1
106.07841	12.8
121.74712	4.2
133.06480	53.4
134.07269	39.7
135.08040	100.0
151.07559	20.7
165.03682	36.1
167.05226	12.2
167.16188	5.2
179.05272	12.1
220.40837	5.1
277.16235	20.6
294.12891	5.6
295.17307	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	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	14.9
58.18306	16.6
58.69894	10.2
69.07052	24.2
71.81752	13.3
91.71577	22.0
103.05444	19.5
105.07034	100.0
106.07748	14.0
114.05012	13.2
124.95804	13.1
133.06505	69.0
134.07245	28.4
135.08067	88.8
151.07613	18.3
165.03709	62.7
277.16336	16.4
280.82886	15.6
287.95026	16.0
295.17279	23.8
319.23431	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	295.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50228	7.5
55.05502	21.7
56.96552	10.5
57.07052	16.3
59.31239	8.3
69.07063	19.4
79.05514	12.4
81.07059	15.2
95.08584	11.0
96.21807	10.6
103.90380	8.8
105.07026	81.5
120.73046	10.6
130.97295	8.8
133.06532	36.6
134.07268	19.2
135.08037	100.0
151.07492	15.8
165.03714	35.1
198.33615	10.1
277.16312	13.5
280.95245	11.0
295.17136	14.8
317.87994	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	295.1903
Annotation	7-O-demethyl-albocycline
Peak:m/z	Relative Intensity
51.38884	5.6
53.14937	5.6
55.01859	13.9
55.05495	20.7
56.96558	8.5
57.07070	6.6
57.84660	5.4
59.04990	6.4
67.05502	39.2
67.05786	6.2
69.07057	30.6
71.04985	8.5
79.05472	22.8
81.07035	28.3
82.52153	8.1
84.28364	6.4
85.06532	18.4
91.05466	42.9
93.07042	41.1
93.94547	6.3
95.04942	16.9
95.08598	42.4
96.70396	6.8
105.07005	45.5
107.04953	22.0
107.08577	31.4
109.06498	9.5
109.10148	12.1
111.91151	9.5
117.07006	14.8
119.08577	40.6
121.06500	13.7
121.10111	15.3
127.07534	6.7
128.06227	7.7
129.06995	10.7
131.08583	27.2
133.06476	13.2
133.10091	35.2
135.08061	11.0
135.11670	9.3
137.09630	11.5
143.08572	27.5
145.06512	8.0
145.10129	23.0
147.08041	47.1
147.11621	11.9
149.09622	8.6
157.10115	19.8
159.11681	10.0
161.09543	41.6
163.11171	18.2
171.11723	7.7
172.17876	7.3
175.11241	11.4
175.14792	10.2
183.11728	7.3
185.13261	10.8
189.09099	14.7
199.14839	27.8
203.10632	8.9
203.14259	10.2
217.15796	36.1
227.14182	9.6
245.15378	40.6
259.17007	8.8
277.17932	100.0
295.19022	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	295.2266
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
52.23267	9.8
53.03900	10.0
55.01859	15.1
55.05505	88.3
56.96543	9.1
57.07079	13.3
58.92184	11.0
60.22189	9.2
67.05493	57.0
69.07042	22.3
79.05491	15.5
81.07052	68.9
83.08604	100.0
85.24857	9.9
91.05482	31.3
93.07042	33.2
95.08605	34.5
105.07027	19.7
107.08585	25.2
109.10177	18.7
111.08064	18.0
117.07027	12.1
119.08581	24.6
119.17696	13.3
121.10191	17.7
124.67029	12.2
131.08586	20.6
133.10078	29.3
137.05965	48.7
138.06335	36.5
147.11664	28.2
149.13281	23.2
241.19695	18.7
246.17473	11.7
277.21481	22.8
285.63571	12.9
295.22379	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.42009	7.8
52.75084	7.2
55.05507	46.3
57.07068	20.3
63.58213	6.6
67.05499	100.0
69.07051	33.7
71.04983	11.1
71.08613	54.2
79.05495	46.0
81.03414	10.1
81.07050	84.7
83.04958	21.8
83.08612	23.5
91.05473	32.0
93.07041	75.6
95.04957	9.3
95.08596	55.4
97.06538	12.8
97.10179	22.7
99.08083	31.8
105.07041	29.2
107.08580	45.9
109.10159	41.1
119.08591	20.1
121.10149	33.8
123.11687	9.2
133.10165	9.0
135.11703	44.7
151.11139	12.1
179.14316	76.9
240.08340	9.4
277.21545	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24917	1.9
52.94333	2.1
60.08130	2.9
61.81394	2.4
86.09679	21.2
101.38483	3.1
104.10737	100.0
111.80643	2.6
128.09222	2.8
137.85443	3.0
142.84999	3.3
149.39198	2.7
236.99142	19.4
296.06491	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	296.1128
Annotation	Indican
Peak:m/z	Relative Intensity
55.01847	2.8
56.32047	1.9
56.96548	4.5
60.04510	4.5
60.30615	2.0
61.26756	2.4
69.03408	7.0
69.07037	2.3
70.06561	9.3
72.08168	3.1
81.04506	3.5
83.93819	2.5
84.04472	7.6
84.08119	8.8
85.02892	4.4
86.09672	3.9
91.05450	8.1
97.02927	4.2
97.73502	2.2
99.04454	4.3
100.56752	2.3
101.10767	2.7
106.24942	2.3
110.07181	2.4
110.12034	2.5
117.05482	5.7
119.04929	3.3
121.06519	7.2
122.06886	3.1
123.05504	5.7
123.07906	8.0
135.04378	3.1
136.06140	2.7
137.05995	17.3
139.83110	3.0
141.29347	2.7
143.04903	2.9
147.04314	3.0
151.07535	4.8
161.05882	3.9
162.05482	5.2
163.06184	2.8
164.07059	81.7
177.07857	5.1
178.08627	10.2
182.07893	2.9
190.08519	6.4
202.08537	6.6
204.10342	4.3
206.08066	11.3
208.17210	2.8
218.08151	15.7
230.08167	4.3
232.09782	4.7
234.07619	8.0
236.09169	14.6
250.10751	7.4
260.09262	4.6
278.10196	35.4
296.11218	100.0
297.13870	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	296.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01458	2.5
55.05512	4.1
57.07074	6.0
67.26106	2.6
69.07040	6.8
72.04507	100.0
83.08603	5.3
98.05051	3.3
114.09150	11.4
128.10689	5.5
138.75346	3.0
175.67477	3.3
207.96924	3.9
226.67796	3.3
282.51770	3.6
296.29407	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36456	0.9
56.78185	0.9
59.24154	1.0
65.39041	1.0
66.91650	1.1
69.97330	1.0
81.04529	20.1
84.08114	2.2
97.68275	1.0
110.07136	1.8
122.07143	100.0
123.05504	1.6
123.07940	8.0
136.06154	2.9
153.57964	1.2
156.62823	1.1
157.55727	1.3
163.09654	1.5
165.07245	2.0
188.11792	3.4
192.05772	1.6
233.13791	1.6
269.10596	2.7
297.10107	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	297.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
57.03423	1.4
59.61647	0.5
61.02922	0.9
61.80197	0.6
63.46933	0.6
69.03423	4.2
80.05016	3.9
85.02905	3.5
88.01844	0.6
96.01418	0.6
96.04490	1.6
97.02891	9.2
109.72002	0.6
115.03925	8.7
123.05551	100.0
175.06041	1.9
195.22540	0.7
208.57191	0.8
213.73009	0.8
290.27298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86423	1.6
56.05055	2.1
56.62808	1.8
56.96549	3.1
69.07010	1.9
70.02959	1.7
70.06586	5.3
84.04500	23.8
84.08120	2.4
86.09706	1.9
91.05464	17.9
95.04956	6.2
98.97597	10.8
111.44891	2.0
116.98628	4.2
119.04956	14.8
123.04478	1.8
123.05558	4.7
130.05020	9.4
137.05952	3.1
140.00166	6.8
151.07539	100.0
158.01328	3.5
158.99672	3.0
168.10127	10.1
170.01152	2.6
181.02699	3.1
193.02940	2.0
200.02362	7.6
207.85884	2.6
212.02243	2.6
230.03401	3.1
234.11317	4.1
280.11798	8.3
297.14459	9.2
313.06671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
56.96560	1.4
65.50414	1.0
72.39565	1.2
80.32596	1.1
84.04469	1.3
89.52719	1.2
91.05487	6.3
93.07042	8.9
95.04938	2.0
100.11236	2.1
103.05466	4.9
107.04948	22.4
121.06499	31.6
130.06516	7.0
132.08101	3.3
143.07277	6.5
144.08078	8.3
145.08853	2.7
146.09590	1.4
156.08040	1.6
158.09637	10.1
160.07553	3.6
168.08078	2.7
173.07063	1.4
173.08389	5.5
174.09143	3.8
179.08591	2.2
186.09128	13.1
225.43329	1.2
252.13824	3.8
280.13293	100.0
297.15860	8.1
301.86896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1824
Annotation	Exemestane
Peak:m/z	Relative Intensity
53.79094	2.0
57.07040	2.4
66.70313	2.2
72.50246	2.3
76.48350	2.5
81.07032	2.8
88.08346	2.5
95.94519	2.4
133.06522	5.8
140.00201	4.8
210.66090	3.3
283.13239	2.7
297.18213	100.0
316.00375	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	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.31163	4.4
55.05498	16.0
57.07063	6.6
67.05493	36.2
69.07052	80.2
81.07053	40.2
83.08617	17.0
89.57857	5.4
91.05486	4.7
91.70979	6.3
93.07036	16.4
95.08592	54.8
97.06511	7.7
97.10165	11.3
107.08611	26.7
109.10142	100.0
111.08081	18.7
111.11729	7.3
113.06017	5.5
119.08556	7.1
121.10133	19.9
123.11692	25.3
125.09649	7.3
133.10114	6.0
135.11678	11.3
136.06178	6.0
137.09576	40.5
137.13232	8.4
139.11134	10.0
149.13226	30.4
151.11160	11.2
151.14861	13.3
155.10725	7.1
158.01361	5.7
158.82457	5.0
163.14809	7.9
173.13234	8.1
177.63971	5.4
181.02739	6.9
203.17924	9.7
233.22704	12.6
236.05281	5.6
243.21136	7.2
248.87848	6.0
261.22125	11.8
279.23102	69.3
280.97156	5.5
294.83469	5.5
297.24033	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.53152	0.1
60.48381	0.2
61.01143	5.4
69.03412	0.5
75.02692	2.4
91.71090	0.2
94.04043	0.4
97.02895	1.4
98.71864	0.1
103.02135	0.5
113.90247	0.2
119.03539	1.0
119.05318	0.1
136.06175	100.0
137.04608	0.8
137.06514	0.3
145.03200	1.0
163.04213	1.1
298.09628	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	298.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	3.4
61.01144	4.6
61.60246	1.3
63.63974	1.3
64.75126	1.6
68.27158	1.3
69.79203	1.5
70.06580	4.2
71.44412	1.3
72.08155	1.9
75.39096	1.5
82.78280	1.5
84.04497	1.6
84.08107	2.7
94.06580	3.8
98.97569	2.7
103.70518	1.5
115.38704	1.6
119.06027	1.6
120.93426	1.5
132.04417	3.0
136.06161	43.3
137.05927	2.6
140.00172	1.8
147.05565	2.0
158.01315	2.9
168.85303	1.8
195.09212	4.2
206.08385	2.7
209.07109	4.4
211.08676	5.8
223.08627	25.0
224.09506	2.0
231.65334	1.8
237.08969	4.6
251.08170	15.6
252.11281	100.0
275.86426	1.6
280.10846	6.8
281.09375	1.8
291.08127	1.7
297.99173	2.8
298.11847	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	(-)-Diolmycin A1
Peak:m/z	Relative Intensity
56.96563	2.8
62.08919	1.9
63.68179	2.1
91.05483	12.9
93.07023	9.5
95.04997	5.9
98.07780	1.9
101.67231	2.5
103.05450	8.8
105.04482	3.4
107.04946	37.2
117.05782	5.0
117.07009	2.6
118.06502	3.5
121.06502	72.3
130.06526	15.5
132.08044	6.0
143.07301	10.1
144.08099	13.2
145.08890	3.9
146.09599	3.4
157.08810	2.9
158.09651	20.9
160.07539	6.6
168.08084	5.2
171.68501	2.6
173.08316	9.3
174.09106	5.6
186.09109	23.2
241.27058	2.6
252.13719	15.3
280.13318	83.0
298.14355	100.0
308.34918	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	298.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68998	2.5
74.54282	3.3
76.01771	2.9
90.06744	3.3
91.05457	8.9
93.07043	9.4
95.04973	3.9
98.97603	4.7
103.05453	5.6
104.04989	5.1
105.07004	5.4
106.06496	5.9
106.33072	3.2
107.04945	39.3
107.07346	4.4
114.73583	2.6
115.05439	4.0
116.98618	4.9
117.05750	17.8
118.06509	2.9
118.99547	2.8
119.07312	19.1
120.08124	5.9
121.06503	45.4
125.75016	3.9
130.06531	6.9
132.08084	45.8
136.06163	20.0
148.98813	3.8
158.09700	8.6
204.10248	3.7
224.10722	5.6
226.12254	100.0
252.13831	20.4
270.11526	3.1
270.14868	14.1
297.99127	4.4
298.14536	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	298.3103
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07049	7.4
65.16652	1.7
71.08601	6.3
74.06065	4.5
88.07603	8.8
88.11254	2.0
102.09180	6.2
102.52466	2.0
113.45145	1.9
116.10692	2.3
136.06178	2.3
143.38202	1.9
202.23012	2.4
228.23215	22.7
298.31015	100.0
299.31439	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	298.3103
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
54.48804	0.6
55.05523	0.9
57.06826	0.9
57.07070	8.2
58.02953	5.0
69.07053	1.7
71.08619	2.9
82.12383	0.7
83.08588	1.1
83.75791	0.6
84.72729	0.6
85.10180	1.5
86.06068	0.9
88.07607	6.8
95.08630	1.0
97.56833	0.7
102.09171	12.0
106.30444	0.7
114.09163	0.7
116.10742	5.7
123.31184	0.7
130.12263	1.7
136.06212	1.0
248.46100	0.8
298.31021	100.0
299.31204	1.0
315.33777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	7.1
60.08171	15.3
64.34923	4.2
75.01490	4.3
76.20702	4.4
81.27605	4.2
93.26252	4.3
101.75972	3.8
118.62550	4.3
138.80783	4.3
157.54379	5.0
298.31030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56277	2.8
57.07047	5.6
72.04495	5.6
84.15614	3.7
84.74758	3.4
96.50854	3.6
98.58281	3.2
106.07401	3.6
119.70017	3.5
133.53378	3.9
136.06233	6.5
164.11008	3.7
182.68195	4.6
291.31311	4.1
298.31055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0887
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
53.77200	3.5
63.17905	4.2
134.13692	4.7
180.23059	4.1
183.71638	4.7
255.45601	5.6
281.07776	6.1
299.08844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0891
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.05493	6.2
56.73801	2.0
56.96574	1.9
57.07052	2.8
67.05487	2.9
72.08153	2.8
81.07056	2.6
82.06557	4.5
83.04948	2.9
83.08611	5.6
86.09715	3.1
91.05437	3.1
91.71651	3.7
93.07037	4.4
95.08581	2.6
98.97578	2.7
100.11250	9.5
111.04464	3.4
128.07048	3.2
129.33075	2.0
136.14420	2.1
146.05954	3.2
148.07532	4.9
161.20004	2.6
166.08594	3.8
170.01630	2.7
173.85881	2.4
182.15396	7.7
299.08890	100.0
322.25320	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	299.1024
Annotation	Vertilecanin C
Peak:m/z	Relative Intensity
56.96564	5.2
62.91064	4.0
70.06565	15.8
72.08189	3.7
82.06551	5.0
84.08114	7.5
86.09686	11.5
91.71114	4.6
95.03745	5.9
103.90797	5.0
108.04500	5.2
110.06035	94.9
120.04480	15.9
134.05998	15.7
136.03951	27.5
136.06195	11.3
137.24562	5.3
148.03909	35.9
150.05482	17.0
151.06244	7.3
152.07097	11.9
162.05507	42.4
168.08142	8.9
175.77466	4.7
183.09233	5.5
184.07613	9.5
190.79459	4.6
191.26054	4.9
193.07564	7.4
194.05991	11.3
195.09178	36.6
196.07594	9.6
199.73486	5.1
202.04994	12.1
206.08466	7.7
211.08704	22.1
212.07077	16.5
222.05591	9.9
222.07748	11.2
223.08649	87.2
224.07162	16.0
238.07397	13.6
239.08113	28.6
249.06512	12.3
252.06572	19.0
266.06827	60.2
267.07623	58.5
281.09186	67.4
282.07486	7.6
299.10229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1025
Annotation	Vertilecanin C
Peak:m/z	Relative Intensity
53.10232	1.6
70.06573	7.5
72.08130	2.0
73.49800	1.7
80.41908	2.0
81.23586	2.6
84.04491	2.6
84.08144	3.0
86.09708	3.5
89.06030	2.5
91.05505	2.4
105.18862	1.9
119.00373	2.1
120.04470	2.9
120.08157	2.8
129.10178	3.5
130.08801	2.8
134.45428	2.2
140.98940	2.3
168.08202	3.4
183.06789	3.9
184.07620	4.4
186.05495	2.6
196.07625	6.5
200.07022	3.3
206.06009	6.0
207.06721	3.3
207.08998	4.0
208.07634	4.7
210.05400	2.9
212.07079	5.3
223.06183	3.6
224.05034	1.8
224.07051	46.6
224.09303	2.8
225.10355	7.6
226.08636	4.9
235.08594	16.5
236.07141	12.8
252.06514	25.7
253.07233	9.4
253.09789	18.9
263.08170	8.7
266.06882	2.8
271.14276	4.1
281.09195	100.0
282.09818	3.4
299.10181	68.8
322.11923	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86301	8.1
55.05495	12.7
57.07069	11.7
61.57551	8.3
64.37241	8.1
67.05483	44.8
69.03394	21.6
69.07053	17.7
70.06574	59.7
70.09898	8.6
71.04986	100.0
72.08119	13.5
72.24590	8.7
73.06527	8.7
79.05483	23.9
81.03418	12.3
81.07041	38.0
83.05000	11.8
84.08143	14.6
85.06551	39.4
86.09702	20.2
87.04478	15.3
91.05465	37.1
93.07048	23.7
95.04971	11.5
95.08618	32.9
97.06516	34.7
99.04482	15.4
101.06047	10.9
105.07017	13.2
107.08593	14.3
110.07144	25.2
121.10151	14.2
123.07960	10.5
136.06226	12.5
157.44583	11.0
162.05453	12.8
207.88008	11.4
235.16924	14.1
267.14996	12.4
274.20706	10.7
281.17438	37.3
299.10223	25.8
299.25729	12.7
300.08664	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.01860	20.4
55.05498	19.6
56.96528	5.2
57.07051	7.2
59.57804	4.7
67.05488	61.9
69.07046	20.0
71.04989	6.2
79.05490	55.7
81.07031	42.2
83.04964	14.2
91.05473	55.2
91.33092	5.5
93.07039	61.5
95.04958	27.3
95.08602	39.6
97.06512	13.3
99.04431	7.8
101.57880	5.6
104.36372	5.2
105.07033	65.6
107.04950	10.3
107.08585	21.2
109.10143	11.1
114.58691	5.6
116.06196	7.3
117.07008	28.8
119.08568	25.2
121.06528	12.3
121.10143	16.4
123.08074	24.1
128.06195	11.7
129.07054	37.0
130.46294	6.8
131.04973	5.1
131.08580	56.8
133.06519	12.3
133.10127	29.9
141.06985	19.4
143.08592	21.3
145.06465	16.3
145.10133	17.8
147.08064	12.2
147.11728	8.5
149.09624	21.5
153.06961	9.1
155.08553	29.3
157.10106	19.6
159.08076	19.3
159.11690	14.0
161.09579	10.2
161.13177	6.6
163.14775	9.4
169.10150	19.4
171.11673	35.1
173.09697	16.6
173.13222	9.6
183.11742	18.0
185.13318	9.6
187.14803	15.0
197.13228	28.9
199.14937	6.9
201.12791	6.5
215.10506	7.3
215.14319	47.7
231.45313	6.5
237.16469	6.3
253.19745	9.5
254.70627	6.5
263.17896	14.7
271.57614	6.1
276.26535	6.4
281.18948	41.6
299.19983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.55857	5.3
55.05511	27.6
57.07079	6.3
57.86125	5.2
62.75551	5.9
67.05505	35.4
67.56519	6.8
69.07077	13.7
69.50890	6.1
70.52654	7.2
71.05009	9.8
79.05481	44.9
81.07049	46.6
83.08601	8.5
91.05466	94.2
91.05946	7.0
91.71671	10.3
93.07035	46.3
95.04984	16.2
95.08596	65.2
95.09090	6.7
105.07034	62.5
107.08614	21.0
109.10107	6.4
117.07014	76.4
118.59689	7.1
119.08574	36.2
121.06532	7.6
121.10172	26.6
128.06241	13.4
129.07004	69.9
131.08565	35.4
133.10130	35.5
135.11739	9.0
141.07043	20.4
142.07767	14.0
143.08557	67.8
145.10100	33.6
147.11734	9.4
155.08597	24.5
157.10193	28.1
159.11699	15.3
161.09758	7.7
161.13446	8.3
167.08597	13.4
169.10071	35.3
171.11632	37.8
181.10197	9.8
182.84045	6.7
183.11792	21.8
185.09666	7.9
185.13338	21.7
193.54379	6.9
197.13319	19.1
199.11264	8.4
205.12325	8.1
207.11768	9.2
225.12871	8.1
239.17932	16.4
240.13791	12.6
263.18057	7.6
271.16931	9.1
281.18970	16.6
299.20065	100.0
299.23306	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	299.2368
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.00306	4.7
53.03946	3.8
54.30233	3.8
55.05500	24.9
56.96588	4.1
57.07053	11.1
65.03927	5.5
67.05498	64.6
69.07052	23.8
71.08614	15.9
77.19774	4.5
79.05492	36.2
81.07053	46.4
83.04989	5.7
83.08606	15.9
85.02346	4.2
89.15336	3.9
91.05471	100.0
91.70948	5.1
93.07035	35.1
95.04945	14.6
95.08599	33.5
99.08079	10.9
105.07021	61.6
107.04962	5.8
107.08579	13.9
108.75409	4.8
109.06516	5.6
109.10163	9.4
117.07028	42.9
119.08555	44.8
121.10155	8.0
129.07028	20.5
131.08604	23.5
133.10147	10.9
135.11705	7.4
143.08527	10.0
145.10115	13.0
155.08548	11.2
157.10138	6.9
159.11681	7.1
169.10260	6.3
173.13303	10.7
183.11632	5.8
185.13255	5.0
199.14792	7.1
200.87224	4.6
201.16315	7.4
221.49146	5.4
281.22491	5.8
299.23639	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	299.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40203	9.8
55.05486	13.3
55.70635	10.6
57.07069	24.0
60.05867	10.4
60.50033	10.3
67.05482	40.7
69.07043	40.9
70.16071	13.5
71.08624	100.0
76.05518	11.6
81.07042	41.2
81.89881	11.9
83.08601	33.9
85.26264	10.7
86.76144	11.4
88.13428	12.4
91.05474	27.3
95.08608	30.1
98.22260	11.5
99.08086	49.9
105.07005	13.4
109.10051	13.2
111.03096	13.2
117.07022	17.4
129.06981	23.5
131.08557	30.3
157.10193	26.3
173.34030	12.6
199.14890	23.4
201.16425	16.4
211.14801	15.6
233.18962	32.8
234.87677	13.4
299.23703	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	300.0866
Annotation	Normelicopine
Peak:m/z	Relative Intensity
55.05483	1.7
56.05015	3.0
66.58369	2.4
67.05482	2.3
69.07056	3.6
70.06584	18.5
71.04978	4.6
72.08127	3.5
79.05462	8.1
80.40660	2.0
81.07030	2.5
81.47112	2.1
84.04514	2.0
84.08110	7.4
86.09683	17.2
89.03915	5.1
91.05452	7.0
91.16959	1.9
95.04950	3.0
95.08528	2.1
106.06538	11.3
116.04983	15.3
116.07145	2.2
121.06475	6.7
123.04429	3.1
126.05441	2.2
126.96992	2.2
129.10210	4.6
134.06013	29.4
135.04414	20.3
136.06151	2.1
137.02359	18.3
137.03354	3.8
137.05931	2.7
144.04402	3.2
151.06682	2.0
157.07538	4.5
162.05486	92.2
164.07016	3.7
180.06592	4.7
181.07355	2.4
236.07042	4.4
254.08096	4.0
272.09076	6.2
282.07489	5.7
283.08215	4.6
300.08600	100.0
300.19028	2.2
303.91367	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	300.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76696	45.7
56.96551	100.0
57.07079	43.6
67.05518	48.7
76.57055	46.9
76.88889	50.6
78.69460	47.2
78.92879	46.3
81.07064	84.3
82.22402	61.6
83.86990	51.2
94.86801	58.3
95.08634	68.7
107.40439	58.6
127.98907	59.4
130.33432	59.6
199.03398	56.7
269.79819	57.2
289.10938	68.3
300.09460	97.3
300.29453	81.6
312.74521	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18743	2.1
53.63315	2.2
61.57730	2.1
69.72739	2.0
70.06575	5.2
72.08147	2.2
75.33636	2.1
79.05489	3.7
92.05038	7.3
94.06559	3.2
106.06570	6.6
115.55133	2.7
120.04436	12.3
122.06054	3.6
134.06026	17.4
136.06242	2.9
140.00237	2.3
148.04002	10.3
150.05551	10.2
154.02690	2.3
162.05507	38.8
164.07132	8.6
166.08652	4.8
171.92198	2.6
180.06609	7.5
190.04919	13.7
192.03043	2.7
194.04507	35.8
194.08076	29.9
194.09605	2.4
198.07722	9.1
208.06004	18.8
218.04442	12.5
222.07767	10.3
224.05669	7.9
236.05551	18.1
250.07053	11.3
254.10345	5.8
282.09698	100.0
290.53888	2.9
305.40356	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	300.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98152	2.4
57.94156	2.2
69.50880	2.5
70.06585	100.0
72.08134	2.5
77.84493	2.7
80.67489	2.3
80.81305	2.4
84.04481	3.0
84.08139	5.8
107.46622	2.7
109.81186	2.7
112.07594	77.6
140.00229	3.1
140.07059	38.8
157.09836	3.6
230.43877	3.3
242.57660	3.0
282.10077	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	300.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72899	1.5
54.55555	1.1
58.92553	1.4
61.23667	1.4
76.19492	1.5
81.07053	1.7
82.19060	1.7
91.05464	3.6
91.71687	2.2
93.07027	3.6
99.26487	1.4
100.29655	1.4
103.05443	1.7
105.06981	1.8
106.06526	2.7
107.04949	24.6
107.07349	4.0
109.57824	1.4
117.62453	1.7
118.06532	5.5
120.08128	5.8
121.06522	15.5
129.07040	1.5
131.07330	4.4
132.08101	2.1
133.08868	26.8
134.09648	4.3
141.92433	1.5
146.09621	18.6
183.02138	1.6
183.79909	1.6
221.30481	1.7
240.13809	100.0
244.14290	1.7
248.76620	1.8
270.31213	1.8
271.21097	1.9
296.34348	1.6
300.15915	21.7
300.28925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Neopine
Peak:m/z	Relative Intensity
56.96551	4.5
67.95609	2.2
69.03413	21.0
86.08266	2.4
87.04459	100.0
91.05453	4.6
93.07031	11.8
95.04935	4.2
100.99471	2.7
101.00222	2.3
103.05442	8.4
103.71052	2.4
106.06537	7.2
107.04941	19.5
108.08105	3.9
112.10608	2.6
112.74101	2.7
113.43060	2.6
114.40764	2.4
118.06518	3.9
120.08086	70.6
121.06496	86.7
126.18172	2.4
162.09140	4.4
162.71341	3.0
170.09642	6.2
176.10683	2.7
180.03352	2.4
188.10715	18.5
190.09973	2.8
192.20534	2.7
214.12257	41.1
264.13937	3.6
282.14896	25.0
300.15900	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(-)-4'-O-Methylcoclaurine
Peak:m/z	Relative Intensity
53.26384	1.4
54.31865	1.2
55.55531	1.3
56.96547	2.2
62.88051	1.3
76.59615	1.6
81.07030	2.5
91.05450	3.0
93.07034	2.9
95.04921	2.0
95.08597	2.1
104.04995	4.7
105.07002	4.6
106.06569	3.1
107.04954	8.2
115.05471	2.5
117.05742	8.6
118.06503	1.8
119.07323	7.3
120.08082	4.5
121.06490	20.9
130.06564	2.4
132.08069	31.9
132.09010	2.5
143.24408	1.8
153.32831	1.8
169.92239	2.0
183.54985	1.9
188.10649	2.0
226.12244	100.0
234.67920	1.7
241.97522	1.8
288.30450	2.0
300.15866	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	300.2896
Annotation	3-Dehydrosphinganine
Peak:m/z	Relative Intensity
55.05507	11.7
56.05015	17.7
56.96554	17.6
57.07060	25.5
58.06590	6.9
58.97499	5.7
60.04511	20.8
67.05501	15.2
69.07044	18.0
70.06577	10.2
71.08607	8.6
73.81221	5.4
79.20965	6.5
81.07056	16.3
84.29833	7.3
86.06017	8.6
86.09676	14.3
90.89859	6.8
93.07057	13.1
95.08596	14.7
96.08070	8.5
97.88486	7.6
104.10740	12.5
109.78559	6.4
118.97031	8.2
163.01639	9.3
175.93683	7.4
182.27878	7.0
184.07368	8.1
184.70444	7.5
196.06079	8.0
204.99278	8.1
270.27972	22.6
282.27957	17.8
300.28964	100.0
300.32181	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.96566	7.5
69.94274	3.1
84.54728	3.0
88.11237	3.1
91.71500	7.1
98.35036	3.1
134.28911	3.9
163.57161	3.9
197.23560	3.5
252.97842	3.9
258.05209	43.8
269.75558	4.0
286.04712	67.7
301.07016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1192
Annotation	5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]
Peak:m/z	Relative Intensity
51.51208	1.1
55.16321	1.5
56.96566	1.4
57.03409	1.7
70.06577	4.5
71.79424	1.4
84.04442	1.6
84.08131	3.3
86.09684	3.6
89.06022	9.3
98.97566	2.1
100.96361	1.8
109.06483	1.9
115.43516	1.5
120.24338	1.5
128.98564	1.9
133.08582	4.5
142.02925	1.6
158.23999	1.7
162.05460	3.1
162.41269	1.7
171.05620	3.6
177.97232	1.7
180.06557	3.0
283.10846	3.9
283.17422	3.1
301.11880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18590	1.6
61.50716	1.6
63.00723	2.0
64.23748	1.7
68.81693	1.5
70.06588	6.1
72.08130	4.7
80.81719	1.4
81.21770	1.5
84.08128	3.4
86.09693	2.5
96.13010	1.6
107.04964	1.8
111.31008	1.8
123.30112	1.8
136.06204	12.9
137.06531	7.1
183.63858	2.0
217.36754	2.0
261.02802	2.3
301.12512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92888	3.0
55.01862	14.9
55.05501	5.9
56.96551	6.7
57.05405	3.4
67.05489	12.3
69.07048	8.3
71.04615	6.0
71.04984	100.0
72.00645	3.2
72.08102	3.9
77.58154	3.2
79.05466	8.1
81.07047	14.8
83.04917	4.4
85.06528	16.4
86.09677	7.6
87.04459	5.6
89.94992	2.9
91.05470	7.0
93.07037	11.2
95.04950	3.2
95.08600	10.6
97.06522	49.0
98.97562	4.0
101.06002	4.6
106.97749	3.8
107.08617	4.9
109.10177	8.1
111.08098	5.6
116.98669	4.1
121.10122	4.9
135.11711	7.1
146.31212	3.8
171.13806	5.1
179.46486	4.3
200.02345	6.4
212.06097	3.6
237.18504	9.4
259.61615	4.0
283.19107	15.8
287.41919	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	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05500	14.1
67.05499	29.4
69.07047	11.7
79.05477	19.9
81.07053	32.6
91.05475	55.9
93.07047	32.7
95.04977	5.8
95.08611	19.2
97.10141	4.3
105.07020	33.3
107.08576	17.0
109.10119	6.0
117.07006	54.1
119.08566	22.4
121.06572	4.2
121.10146	14.9
129.07008	19.2
129.92020	4.1
131.08566	34.9
133.10123	18.2
135.11679	10.2
141.07045	4.5
143.08546	18.2
145.10127	29.9
155.08580	7.9
157.10110	8.2
159.11685	20.7
161.13260	14.7
171.11681	13.2
173.13263	17.2
185.13261	5.7
187.11189	4.8
189.12671	5.4
195.11693	10.5
199.14815	5.8
203.10687	5.2
209.13156	5.9
213.12837	6.1
215.76537	5.1
223.06578	4.7
237.16174	5.9
255.17380	5.9
265.19498	6.2
283.20599	13.7
301.21579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	1-Oxoferruginol
Peak:m/z	Relative Intensity
51.02520	2.2
55.05498	5.2
55.83378	2.0
56.96527	2.4
57.07037	2.4
62.27703	2.1
67.05478	3.9
69.07028	4.2
71.08627	2.7
72.80504	2.3
74.35583	2.3
81.07035	7.8
83.04974	16.9
86.09683	7.1
86.69022	2.2
87.21944	2.3
90.68115	2.0
91.05440	3.9
95.08606	6.5
97.64882	2.5
104.10698	2.9
105.07017	5.4
107.08564	6.3
109.10124	6.4
119.08578	6.7
121.10161	5.8
123.11649	3.5
135.08038	22.4
147.11691	5.6
161.09604	5.1
161.13159	4.6
175.11143	6.3
175.14799	3.7
189.12753	21.1
189.16318	2.8
197.19872	2.5
203.14270	7.0
259.20566	5.1
273.22073	47.3
301.21561	100.0
313.97369	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	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
56.96546	91.3
65.52255	22.7
67.05481	43.1
69.07049	29.6
74.08136	26.0
81.07046	49.9
85.66888	32.0
91.71601	27.7
93.07038	31.9
95.08595	50.4
98.97583	50.1
105.07035	71.0
107.08585	58.8
109.10140	51.0
119.08597	79.4
121.10135	55.4
125.08575	28.2
125.25812	25.5
126.10135	28.9
131.08611	37.9
133.10126	37.8
135.11687	29.4
140.00180	41.9
145.10101	100.0
157.10060	38.4
159.11725	77.8
177.00706	46.0
182.01326	51.2
185.13217	29.9
213.29073	30.4
214.03845	48.3
218.97412	47.5
223.03833	48.7
242.03423	48.3
301.21628	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
50.79034	7.9
55.05511	14.7
56.96558	30.8
59.65709	8.5
67.05492	31.8
69.07055	18.7
71.04987	10.4
75.62486	8.5
79.05463	13.5
81.07043	58.6
90.12345	9.2
91.05486	25.8
91.71587	12.9
93.07038	61.9
95.04971	13.4
95.08607	64.4
98.97616	12.7
105.07016	57.5
107.08581	74.2
108.57767	10.2
109.06520	27.2
109.10154	50.2
114.99875	11.1
119.08585	48.4
121.10129	17.0
131.08577	29.8
133.10118	55.2
143.08556	18.6
145.10126	27.8
147.11688	36.1
151.11221	14.2
157.10150	10.8
159.11685	25.5
163.11311	14.5
169.94629	9.9
173.13261	17.0
177.48994	11.9
191.14316	22.2
195.95952	14.7
199.14801	12.9
200.33641	12.9
201.16400	24.1
234.19873	10.7
236.98631	15.1
260.00125	15.1
283.20822	12.6
297.73788	13.0
301.21609	100.0
307.64322	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	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05516	13.7
56.07994	5.2
56.96564	11.7
57.07080	5.9
60.53386	5.5
67.05497	56.3
69.07070	13.3
70.77644	5.3
79.05498	15.8
79.30191	5.5
81.07052	65.0
83.05003	8.7
85.79014	6.2
91.05486	18.0
93.07058	24.3
95.05014	11.8
95.08601	32.2
99.04493	9.7
105.07050	35.6
107.08649	22.3
109.06544	15.2
109.10154	100.0
109.10842	8.6
113.20885	6.2
117.07013	9.4
117.98339	5.8
118.10152	5.8
119.08590	31.8
121.10174	18.4
123.08141	9.1
123.11749	9.2
125.09615	6.8
126.18220	6.6
131.08618	19.4
132.85179	7.1
133.10188	15.6
135.11821	7.5
137.09663	19.4
145.10150	15.3
147.11691	34.6
157.10202	7.5
163.11281	14.0
172.56088	7.2
173.13353	8.8
191.14409	16.5
223.14621	6.7
260.00217	6.9
283.20743	9.4
301.14328	6.9
301.18552	9.8
301.21561	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
53.28223	8.1
55.05490	11.2
60.96046	8.9
67.05489	28.7
69.07057	27.3
69.48569	10.0
79.05483	20.1
81.07039	47.9
82.01536	12.5
87.18063	11.1
91.05446	26.3
93.07027	60.3
95.04985	13.6
95.08601	50.4
97.06495	11.2
105.07012	47.9
107.08584	55.5
109.10143	41.2
117.06999	14.3
117.73087	10.7
119.08565	23.9
121.06544	14.8
121.10130	31.9
133.10110	24.1
137.09610	19.2
145.10115	35.0
147.11633	14.2
148.59343	10.9
149.09584	17.2
150.36330	11.0
161.13304	12.2
173.13261	18.9
174.89865	11.6
175.14816	29.4
177.09134	42.3
178.56226	11.1
185.13306	17.0
191.14299	37.8
199.14728	12.1
203.14267	16.1
255.21330	15.9
283.20325	17.0
301.21536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	30.7
57.07070	16.3
67.05508	100.0
67.65929	12.0
69.07061	37.0
71.08608	13.8
72.23952	11.3
79.05489	47.2
81.07054	94.1
83.08620	23.3
91.05455	87.5
91.71642	30.4
93.07034	64.4
95.08594	58.8
105.07024	47.7
107.08591	30.3
109.10168	36.2
117.07016	42.6
119.08548	32.8
121.10107	23.4
129.06996	18.8
133.10092	39.5
143.08565	24.5
145.10104	14.5
157.10156	17.8
158.97913	15.8
159.11736	18.3
161.13196	13.3
185.91576	15.6
192.53537	19.0
204.00487	17.8
217.15773	17.0
301.25174	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	301.2525
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.01870	7.4
55.05492	21.3
57.07066	10.8
64.54071	4.6
67.05496	38.9
69.07062	53.5
71.08620	21.0
71.29484	5.4
71.84337	5.2
74.82041	5.1
79.05497	34.9
80.57422	5.6
81.07046	49.3
83.04958	7.1
91.05469	100.0
93.07041	42.0
95.04958	5.7
95.08617	40.2
97.06493	7.2
98.78302	6.3
99.08077	17.9
105.07023	76.1
107.08613	19.9
109.10154	22.4
117.07011	52.9
119.08588	67.9
120.57737	5.7
121.10135	20.1
123.11745	7.6
128.06235	10.8
129.06987	37.2
131.08562	43.0
131.36020	5.7
133.10097	40.8
143.08598	32.3
145.10133	25.8
147.08018	10.7
147.11681	10.0
149.13213	7.3
157.10155	24.7
159.11688	15.9
161.13222	20.5
171.11661	37.7
173.13283	9.3
185.13266	16.0
187.14828	59.1
189.16423	20.8
199.14844	16.5
201.16475	10.5
202.88530	6.6
210.77884	5.9
213.16367	17.4
227.17897	14.1
283.24158	58.1
295.45450	6.1
301.25156	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	302.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.6
65.03925	2.2
65.39062	0.3
72.35438	0.3
91.05471	100.0
92.05813	0.6
98.97546	0.4
108.08125	0.5
121.04304	0.3
132.08078	1.0
147.04419	0.4
154.89772	0.4
158.99669	0.5
162.63187	0.3
170.48637	0.3
177.00706	0.5
182.01318	0.4
224.10660	0.5
242.03435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1386
Annotation	N-Formylgalanthamine
Peak:m/z	Relative Intensity
53.29292	1.4
63.17340	1.4
70.31381	1.3
91.05462	10.3
93.07037	14.6
95.04964	3.6
103.05469	8.4
104.63227	1.5
106.06546	5.2
107.04954	67.4
107.07334	11.8
115.05438	1.8
116.95363	1.5
117.07024	6.9
118.06561	4.4
119.07322	6.0
119.70273	1.4
121.06506	100.0
130.06519	11.3
132.08125	4.8
144.08084	61.1
159.33369	2.0
162.09154	7.1
172.07596	2.8
179.08496	2.2
200.02365	1.5
210.21104	1.8
213.11562	2.1
224.10739	11.8
234.50903	1.5
238.12219	10.5
256.13315	49.0
266.11761	1.9
284.12778	11.6
302.13852	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	302.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	16.9
69.83355	3.9
70.06584	52.3
72.08127	6.2
81.03422	4.2
84.08120	5.9
84.96017	7.0
86.09720	9.1
98.97567	14.4
114.05530	15.7
115.05458	5.0
116.06289	4.0
116.07039	21.8
116.10880	4.2
116.98609	10.9
118.06613	4.6
122.49239	4.4
125.07084	6.2
129.10286	7.5
130.06490	25.5
132.08078	55.5
134.99609	4.5
140.00179	15.4
142.06541	7.3
144.08066	17.7
158.01207	9.1
158.99542	6.7
159.09161	100.0
160.07535	7.5
170.05978	23.8
172.07617	6.6
177.00732	12.6
182.01205	8.5
200.02411	11.4
214.03935	9.5
219.01849	5.2
223.04028	9.3
242.03444	13.1
260.04578	4.6
261.02930	8.2
277.24307	5.4
285.12274	45.0
302.05386	13.7
302.15021	8.4
313.18719	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	302.1751
Annotation	Levdobutamine
Peak:m/z	Relative Intensity
52.75083	0.6
70.06570	3.1
72.08141	6.1
78.44572	0.7
84.08140	1.0
85.91909	0.6
86.09686	3.8
89.38301	0.7
91.05466	1.0
93.07041	1.6
95.04957	1.6
95.08556	0.7
105.06982	1.5
107.04943	100.0
119.33228	0.8
121.06490	6.4
128.57376	0.7
129.06920	0.7
131.08554	0.9
133.06474	1.8
133.10039	0.8
135.08031	1.4
135.53470	0.7
143.08578	1.2
143.11798	1.5
145.06430	1.2
147.08052	1.1
149.09619	1.2
155.08447	1.4
157.13351	1.7
161.09572	2.1
167.10672	4.3
171.11343	1.2
179.10635	7.4
183.08028	0.9
196.13373	1.2
197.03555	0.8
223.01767	0.9
225.09019	1.1
273.14862	1.0
285.14807	2.5
302.17462	72.5
303.17813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.175
Annotation	Levdobutamine
Peak:m/z	Relative Intensity
51.40390	0.4
51.94769	0.4
52.75455	0.4
54.24449	0.7
56.05030	0.5
62.91933	0.4
64.48228	0.4
70.06586	5.7
72.08140	2.3
73.06765	0.5
79.05501	1.0
84.04516	1.0
84.08124	1.3
86.09679	2.8
91.05463	2.4
91.71674	0.5
93.07044	1.2
95.04948	1.2
103.05499	0.5
105.07044	1.1
107.04947	100.0
115.34472	0.5
117.07051	0.8
118.44031	0.5
119.08548	0.9
121.06494	6.6
128.06192	0.5
131.08607	0.8
133.06512	0.9
133.10126	1.6
135.08058	1.6
143.08527	0.8
145.06458	0.8
147.08063	0.9
149.09621	1.8
155.08514	0.9
161.09569	2.9
167.10689	4.3
173.09654	1.2
179.10658	5.6
183.08049	0.6
196.13200	0.9
197.09706	0.9
224.85352	0.5
225.09238	1.0
254.56133	0.5
264.19293	0.5
273.14850	1.3
285.14957	1.2
286.10614	0.7
302.17505	61.7
303.17917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.31115	1.6
57.07072	10.3
64.93446	1.5
70.06577	22.2
71.08599	5.3
75.44673	1.6
75.74418	1.7
76.62219	1.8
80.19853	1.7
83.10604	2.1
87.23184	1.7
88.07175	2.4
88.07619	25.0
93.12511	1.9
102.09140	4.5
106.08656	12.7
114.07669	1.7
119.25349	2.0
160.35332	2.3
201.80423	2.0
284.29440	8.6
302.30484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50035	3.0
56.76311	3.9
56.96305	5.2
56.96559	73.0
62.25198	3.8
64.99364	3.3
68.06961	3.8
71.61224	3.5
72.08152	4.5
74.32172	3.8
74.93774	3.5
81.05405	3.9
82.26375	3.8
82.92341	3.7
83.76442	3.8
97.99168	7.6
98.97588	14.7
116.98621	6.3
132.08134	9.9
158.01234	6.3
172.48340	4.8
172.54875	4.8
174.02205	25.5
192.03317	37.6
206.04897	12.5
210.04405	6.7
215.04903	56.2
217.06441	21.9
229.06581	8.0
233.05972	18.5
235.07640	6.3
243.04324	6.9
256.07550	11.7
258.09128	18.6
261.05426	41.7
279.06525	11.8
284.07056	100.0
302.08145	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	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90927	28.6
56.96583	42.3
57.47781	21.0
70.06593	45.4
84.08166	52.1
85.02905	39.8
86.09763	49.1
86.70429	29.7
98.05590	28.9
103.78674	30.8
107.25404	28.9
110.07204	96.6
124.96582	35.0
136.07668	39.5
150.05565	64.8
152.07201	36.3
238.05434	31.1
242.03558	30.7
257.14960	34.1
266.53677	32.1
303.08423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71861	26.7
62.72188	24.0
63.81379	34.0
67.05473	33.0
69.07057	39.3
69.29615	37.6
93.07046	38.1
104.99267	100.0
107.08600	89.0
109.10175	51.4
203.74571	44.5
203.76566	31.2
207.24336	35.8
237.85214	33.2
248.81453	36.7
284.92526	36.1
303.23260	40.9
306.67218	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	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	1.4
72.08167	1.8
82.06567	1.5
82.37681	1.6
82.86909	1.4
84.08145	8.7
87.66553	1.4
87.90572	1.4
91.05425	1.5
110.06023	9.9
112.46873	1.4
122.06062	1.6
123.04436	1.6
123.06794	1.8
129.10245	2.5
134.05992	2.9
137.05963	2.9
140.07062	100.0
150.05504	4.7
152.07077	7.6
161.07085	2.2
164.07065	61.1
185.31532	1.6
256.09708	4.8
257.07980	2.0
285.12381	5.1
286.10669	3.7
303.13358	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	303.1804
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.07157	10.2
56.30736	10.8
67.76011	12.8
81.07030	21.3
93.07047	17.1
95.08562	22.1
104.99261	37.7
105.07053	17.4
123.53236	15.4
153.00237	25.8
155.01881	16.4
162.04036	16.0
169.93613	16.1
171.01389	100.0
178.03517	40.5
194.03001	48.6
260.11362	17.9
263.45639	17.1
303.18094	49.4
326.19559	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	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.06919	7.8
52.98356	8.9
55.05495	20.2
56.96559	11.0
63.32893	8.4
67.05489	44.5
69.07043	27.8
79.05482	20.7
81.07047	47.8
83.08611	17.9
91.05474	29.7
93.07021	76.3
95.04977	12.3
95.08601	93.9
95.86954	11.5
104.99253	39.0
105.07024	48.6
105.59606	12.0
107.08569	79.6
109.10146	82.2
116.82150	12.0
119.08585	65.8
121.10139	100.0
123.11703	19.9
131.08598	18.4
133.10126	36.2
135.11740	51.5
145.10107	28.3
147.11699	27.2
149.13245	42.5
159.11703	14.8
161.13257	24.5
161.58255	11.9
163.14799	14.0
173.13206	13.1
187.14880	27.0
201.16348	12.1
203.17935	33.7
250.44235	11.3
257.22650	42.0
285.22000	18.4
303.23215	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.05476	7.3
67.05494	56.7
69.07072	11.1
73.32435	8.9
73.68962	7.6
79.05482	30.0
80.40679	8.9
81.06659	8.5
81.07040	55.4
83.08614	11.1
91.05483	53.4
92.76492	9.4
93.07024	50.4
95.04946	9.8
95.08595	32.5
104.99289	12.1
105.07039	37.8
107.08586	22.7
109.10141	29.1
117.07033	12.6
119.08582	46.0
121.10154	27.6
123.11656	9.9
131.08571	24.5
133.10141	32.9
135.11674	22.5
145.10141	15.9
147.11690	11.7
159.11693	11.2
161.13214	19.3
204.04031	12.0
239.06639	9.8
290.22601	10.5
303.23117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
53.49273	14.0
67.05503	35.2
69.07051	42.6
71.04976	26.0
78.18581	15.8
81.07027	79.9
81.45085	15.9
85.00253	16.7
88.08196	16.0
91.05457	31.3
92.62143	17.9
93.07037	43.9
95.04968	33.4
95.08598	38.0
105.07027	34.5
107.08587	100.0
109.06481	24.9
109.10178	46.7
119.08563	42.6
121.10150	48.4
122.10850	19.6
123.11678	25.0
129.62549	18.9
133.40646	19.5
135.11670	46.1
147.11743	23.0
153.12715	27.4
157.10098	22.3
173.13319	20.3
191.87691	17.4
199.14685	24.6
201.90396	18.6
303.23199	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	303.2316
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.84909	9.5
50.89216	9.1
55.05502	34.0
56.96556	17.8
57.07047	11.9
67.05491	39.8
69.07054	46.2
70.06602	11.7
79.05483	24.6
81.07053	78.9
83.08596	19.4
91.05460	40.4
93.07025	87.7
95.04930	14.2
95.08622	69.6
100.47358	13.2
101.34990	10.6
104.98564	11.0
104.99271	50.5
105.07023	64.5
107.08601	100.0
109.10122	78.2
111.08098	11.6
119.08573	79.4
121.10114	73.1
123.11700	32.8
131.08609	20.7
133.10123	47.8
135.11690	62.7
137.13268	17.5
140.63539	12.6
145.10130	32.3
147.11676	45.2
147.95299	11.5
149.13217	34.6
157.10236	15.5
159.11665	22.5
161.13242	53.2
163.14803	17.2
169.50719	14.4
187.14885	13.5
200.75931	13.4
201.16452	14.8
203.17972	29.9
215.17935	12.9
219.17349	25.5
257.22742	19.2
285.22174	18.3
303.15634	19.6
303.23273	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	303.2317
Annotation	Flexusine B
Peak:m/z	Relative Intensity
53.00279	17.6
55.81419	15.5
56.96545	24.2
60.15136	15.1
60.96721	14.8
66.82415	16.4
67.05487	33.3
74.90146	15.3
75.78721	18.1
81.07039	40.0
91.05466	17.6
93.07008	20.3
95.08589	23.8
98.83862	16.8
104.99271	100.0
104.99921	19.4
107.08598	28.0
108.86712	17.3
109.23996	18.0
119.08566	29.0
121.10156	21.6
124.70428	19.0
127.11153	55.0
138.11844	16.0
145.10175	27.0
159.11766	28.3
168.41028	17.5
177.12697	19.3
202.66273	18.0
285.22067	23.9
303.23196	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80707	1.8
64.45641	2.2
67.05504	5.8
70.06581	9.3
72.08139	2.2
72.80418	1.9
73.70873	1.9
78.27640	2.0
79.05492	18.7
80.04996	4.7
82.06557	11.4
84.08132	26.1
85.06554	2.6
88.29008	2.1
91.05478	2.3
94.06551	16.8
95.04957	5.3
106.06539	3.9
108.04501	2.5
110.06069	2.4
111.08095	2.7
112.07627	5.3
122.06037	21.2
123.04425	3.7
128.07071	66.6
128.07974	4.5
135.04330	2.3
136.03941	6.0
140.07047	5.5
150.05556	5.8
154.08670	9.5
156.06580	17.4
166.08704	3.0
168.06584	9.6
182.08131	15.0
184.06056	4.0
196.06073	8.5
198.07614	21.2
199.33083	2.2
201.80424	2.4
211.13106	2.8
215.78589	2.5
244.08151	3.0
258.09732	7.8
286.09195	100.0
286.12375	5.6
325.76517	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	304.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67515	10.5
54.06558	10.0
55.61032	10.2
55.88788	10.9
58.99557	15.0
62.72006	12.8
65.55366	15.7
70.06578	14.0
72.08130	17.1
79.05468	37.7
84.04517	11.9
84.08125	22.0
84.71999	11.6
85.99676	12.6
86.09709	25.3
88.02195	18.0
88.03976	32.2
91.05463	100.0
91.05963	12.1
93.07029	36.1
102.30219	12.9
107.04894	32.5
117.07018	55.1
119.08569	60.1
122.02722	35.3
123.04421	33.6
125.05993	19.5
134.98877	12.3
135.04437	44.3
137.05946	12.9
147.08051	41.1
151.05786	50.1
163.07458	22.8
165.09108	27.4
179.05280	33.3
184.97223	12.6
194.02872	14.8
197.06277	45.7
240.10504	49.9
268.10007	43.4
269.08380	45.3
272.59030	13.4
286.10913	75.0
304.11777	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1906
Annotation	Acetylacrifoline
Peak:m/z	Relative Intensity
54.01636	6.6
65.72686	5.7
67.75031	5.3
70.02886	5.6
70.06578	10.8
74.06075	6.7
75.37454	6.3
91.05450	9.0
93.07035	9.8
102.93930	7.0
104.99342	6.1
105.07012	8.8
105.57848	7.2
137.05974	13.4
144.16193	7.1
161.05951	8.1
164.07027	19.6
198.84499	7.2
202.08714	9.9
246.14908	55.1
263.14368	7.2
304.11505	13.4
304.19040	100.0
309.63965	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
51.51282	3.7
55.05511	8.0
69.07062	5.1
72.04507	100.0
72.04881	7.5
76.87608	4.4
78.51810	4.2
78.99944	4.0
90.90531	5.0
91.05476	11.5
99.47349	4.8
104.99310	20.0
105.07060	12.9
133.33463	5.2
147.11736	6.2
197.28807	5.6
220.34975	6.3
304.26367	82.2
317.43378	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	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	13.2
58.06584	4.1
59.68241	2.9
70.06580	27.8
71.08617	7.3
88.07614	36.1
102.09190	28.8
104.99260	42.7
107.04947	4.9
119.57199	4.2
147.19423	3.6
172.35080	3.5
178.32466	3.7
183.07230	4.0
242.24760	53.5
243.71951	4.4
262.98138	4.6
304.28424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06318	2.0
58.06595	36.9
58.63467	0.9
61.27055	0.8
64.14719	1.0
64.76912	0.8
65.03909	2.3
69.07043	0.9
91.05475	100.0
93.07073	0.8
94.09630	1.1
100.33024	0.9
104.50547	0.9
104.99260	10.0
112.86108	1.0
116.41235	1.2
118.07336	0.9
132.08038	1.0
135.20743	0.8
212.23718	15.7
255.87056	1.2
262.97958	1.2
304.29959	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	305.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80505	12.3
53.29652	13.5
56.41502	13.0
56.96575	14.8
62.50165	12.0
81.07040	14.9
95.65526	12.8
105.06978	15.3
114.36523	15.0
121.02853	36.7
134.69139	14.7
169.92224	17.2
177.05493	70.7
194.78828	16.8
203.90703	15.3
238.85382	14.5
273.03720	19.5
276.04730	19.0
291.05045	25.5
305.12589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1492
Annotation	NSC 177499
Peak:m/z	Relative Intensity
54.89128	2.2
56.05004	3.9
56.96545	4.3
58.64641	2.6
65.59877	2.3
70.06580	37.9
72.08134	7.0
82.06536	4.1
84.04478	9.1
84.08134	9.7
86.09681	9.3
87.09254	3.0
96.08125	5.5
124.07635	2.8
125.02361	4.3
137.05977	6.6
173.06018	3.8
177.10497	3.2
179.08469	3.7
181.06474	3.5
197.22705	3.1
199.07541	7.8
214.08600	3.3
216.10156	8.9
216.94008	3.0
225.09305	3.0
240.10117	4.8
242.11708	26.1
252.10190	9.5
255.08943	7.5
260.12888	5.9
270.11197	22.3
288.12268	93.8
305.14941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1719
Annotation	Discadenine
Peak:m/z	Relative Intensity
67.05505	3.2
71.33146	2.4
81.07079	3.2
87.99020	3.4
103.32642	3.5
141.10677	4.2
305.17212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1721
Annotation	Discadenine
Peak:m/z	Relative Intensity
52.57944	2.1
54.91949	2.4
56.30007	2.5
61.91388	2.5
110.64452	3.1
153.21918	3.3
161.00716	3.7
205.97411	4.5
280.50247	4.7
287.16187	9.7
305.17200	100.0
305.20798	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	305.2108
Annotation	Caribenol B
Peak:m/z	Relative Intensity
52.51901	2.3
55.05496	8.6
56.56425	2.5
56.86314	2.4
57.03411	2.7
57.07056	6.1
65.03931	4.0
67.05129	3.5
67.05495	98.9
69.07050	10.4
79.05479	19.3
81.07046	100.0
83.08617	4.7
85.06538	3.6
85.10159	2.8
88.04507	2.4
91.05470	12.9
93.07028	29.3
95.04964	9.3
95.08597	75.6
97.06567	4.1
97.10160	4.6
105.07022	17.2
107.08581	19.0
109.10147	46.2
119.08563	12.5
121.10151	19.4
122.87261	2.8
123.11681	18.7
129.06969	4.0
130.06036	2.7
131.08531	9.3
133.10158	6.7
135.11705	8.5
137.13249	5.7
143.08513	5.6
145.10106	9.4
147.11736	7.6
149.00684	2.8
149.13248	6.0
153.12733	4.0
159.11703	7.7
161.13234	5.7
171.11705	6.1
175.14836	4.0
185.13243	5.9
187.14754	3.2
193.50806	2.9
203.17714	3.3
213.16528	5.4
230.23225	3.3
241.19493	5.9
246.83856	3.3
263.16364	3.2
287.20178	11.4
287.99454	3.3
305.21100	30.7
325.43152	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
52.92772	14.1
55.01859	21.0
55.05493	34.4
56.96542	19.4
59.33377	16.2
65.54871	19.3
66.31861	19.4
67.05492	38.9
69.07062	53.8
76.52349	17.5
79.05498	21.5
79.80291	18.5
81.07063	100.0
83.08591	22.0
83.83453	17.2
87.90593	17.8
91.05472	23.5
93.07045	58.1
95.04957	17.6
95.08598	87.4
97.10149	20.6
105.07020	25.0
107.08612	78.5
109.10149	53.0
119.08587	35.5
121.10126	77.5
131.08524	24.4
133.10168	32.3
135.11681	44.1
145.02869	21.0
149.13263	46.3
163.14815	30.4
177.05499	44.3
240.81213	20.4
305.17316	44.8
305.24771	75.1
314.46280	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	Vitetrifolin G
Peak:m/z	Relative Intensity
53.00286	4.0
55.05482	5.1
57.07056	5.1
58.27182	4.1
58.43582	4.4
63.74656	4.2
65.22787	4.3
67.05491	17.6
69.07063	14.7
69.92116	4.1
71.04980	21.3
79.05482	8.8
81.07043	100.0
83.27150	4.7
90.08752	4.2
91.05476	7.4
91.71041	6.3
93.07043	23.7
95.04933	8.0
95.08594	48.3
95.09167	6.2
97.69118	4.8
102.42930	5.8
105.07007	31.8
107.08583	44.8
109.10145	24.5
117.06951	5.3
119.08554	28.9
121.10128	37.7
123.11707	45.4
127.11176	18.9
131.08534	11.8
133.10164	9.4
135.11702	10.9
137.05972	63.5
137.39987	5.9
143.08531	5.9
145.10127	20.7
147.11697	16.4
157.10074	10.3
159.11664	29.3
161.13268	9.1
167.36432	4.7
173.13304	10.7
185.13322	7.3
199.14957	6.6
201.16353	36.1
213.16394	6.6
215.17935	11.8
247.80269	6.6
269.22699	16.6
287.23572	21.5
305.24789	30.1
305.31564	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.05497	9.2
56.96572	6.4
57.07052	12.4
57.50302	5.8
58.94892	6.0
63.08951	7.3
67.05486	37.8
69.07059	46.2
79.05463	11.6
81.07045	76.0
83.04970	16.2
90.53873	6.6
91.05476	10.0
91.71035	7.4
93.07029	26.3
95.04962	7.3
95.08610	36.3
100.28642	7.8
104.99233	7.9
105.07034	13.2
107.08591	26.7
109.10151	100.0
119.08595	20.7
121.10108	17.0
131.88206	7.1
133.10185	9.9
135.11713	23.6
137.05966	27.0
138.06354	18.3
140.45108	8.0
143.08601	9.5
147.11642	10.6
149.13214	8.5
161.13283	11.7
171.11710	11.5
173.13252	7.8
199.07478	7.2
206.34126	9.5
242.83711	9.2
269.22311	8.7
287.23645	11.8
305.24808	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	305.2473
Annotation	omega-3 Arachidonic Acid
Peak:m/z	Relative Intensity
50.98076	2.8
55.05507	13.6
57.07047	7.2
62.23845	2.7
65.49620	2.9
67.05498	59.0
69.07061	18.7
79.05497	31.7
81.07053	62.8
83.08606	12.1
91.05466	36.9
91.71014	8.2
93.07042	70.0
95.04958	4.5
95.08603	44.0
95.14717	2.9
97.10145	6.0
105.07017	32.6
107.08591	41.2
109.06528	3.4
109.10108	20.2
113.11666	3.5
117.07018	8.9
119.08566	29.2
121.10148	43.5
123.08038	3.5
123.11730	8.7
131.08569	12.7
133.10115	17.0
135.08075	5.7
135.11696	15.4
137.13254	6.7
143.08601	4.6
145.10127	5.4
147.11687	22.3
148.03589	3.7
149.09627	5.8
149.13272	8.0
151.14856	4.3
155.38112	4.5
157.10167	5.7
161.09610	8.2
161.13246	11.1
163.14815	6.0
171.11702	7.0
175.11287	5.3
175.14790	5.7
177.16399	9.4
185.13242	4.1
193.12219	5.2
203.17896	4.6
207.13748	7.0
221.15361	18.0
245.22737	5.2
249.18439	4.1
259.20593	5.1
269.22632	6.6
287.23630	7.9
305.24738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.05511	8.8
57.07088	7.2
67.05503	30.2
69.06717	5.4
69.07069	29.0
71.05004	6.9
79.05515	13.6
81.07050	100.0
83.08634	7.4
85.06553	31.2
91.05490	27.2
91.70948	7.3
93.07034	98.2
95.08615	59.0
99.08145	6.8
105.06998	53.1
107.08569	49.6
109.10137	46.5
119.07893	6.3
119.08563	36.8
121.10134	40.4
123.11722	23.3
131.08607	19.9
133.10146	45.0
135.11751	21.5
137.06021	24.1
137.13342	12.8
145.10176	9.2
147.11703	43.9
149.13255	34.5
151.11235	24.7
159.11700	19.4
161.13336	19.1
163.14867	16.9
171.11720	14.9
173.13310	21.3
179.14343	7.3
189.16478	24.5
201.16458	8.2
207.17508	16.2
213.16409	9.1
227.18082	10.4
229.19644	27.5
247.20804	7.4
269.22797	26.6
275.99814	9.0
287.23782	28.4
305.21716	12.9
305.24551	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
60.83003	1.9
63.60502	1.7
64.84377	1.6
65.03922	2.0
65.31480	2.0
68.05017	4.1
69.03415	8.3
70.06573	6.9
71.04972	2.4
72.08139	2.3
73.02876	1.9
76.07982	1.9
81.03431	2.4
84.04488	4.2
84.08122	3.4
85.02903	15.7
86.09705	2.5
97.02869	4.7
99.02695	5.5
113.02943	2.9
126.03742	28.4
127.04546	2.2
128.11975	2.1
137.05980	6.1
140.38972	2.4
144.03632	4.8
144.04782	100.0
145.04973	2.2
186.05736	3.7
220.09689	6.6
237.12355	5.0
277.02344	2.5
282.34286	2.3
306.09988	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	306.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93642	0.6
54.26816	0.6
54.70356	0.7
56.05013	0.8
57.07103	0.7
67.05498	11.6
67.54754	0.6
70.06582	100.0
74.02451	2.9
84.08157	3.4
85.02946	0.7
85.06578	1.1
91.71613	1.0
94.06584	3.6
95.04958	5.7
97.21552	0.7
98.06078	3.3
100.07639	1.0
107.04972	1.7
110.06034	5.1
111.32357	0.7
111.75673	0.7
112.07598	31.7
113.06000	6.0
122.06052	2.1
123.06837	3.5
126.05569	2.3
128.07098	1.1
128.65802	0.7
130.08643	1.2
134.04489	5.7
137.06033	0.8
138.05565	2.1
140.07031	5.8
154.08682	3.0
156.60449	0.9
168.06602	2.6
172.09758	1.6
182.08183	3.5
186.07600	12.5
192.08102	0.8
198.07693	1.0
200.09308	1.8
210.07585	18.8
210.09369	1.0
222.02232	1.0
223.77905	1.0
228.08675	4.9
238.07208	0.9
246.09702	17.6
246.12244	0.9
288.10745	25.4
289.11694	1.1
306.11722	10.0
307.13187	0.9
325.35922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83624	1.4
67.05501	11.4
70.06581	100.0
72.08150	2.8
74.02424	2.9
84.04499	5.1
84.08118	4.8
86.09697	4.5
90.05562	2.3
91.05470	3.4
94.06538	3.5
95.04960	6.8
98.06052	5.7
104.95171	1.9
110.06000	2.0
110.07158	2.9
112.07590	30.6
113.05995	6.1
115.53445	2.1
120.08102	2.1
121.06475	4.0
122.06026	2.1
123.06800	2.9
126.05615	2.3
134.04457	3.1
137.05988	5.8
140.07047	3.2
158.08078	17.7
168.06612	2.3
182.08183	4.3
186.07599	6.7
196.05922	3.2
210.07574	20.9
221.78967	1.9
225.72295	2.0
228.08664	5.1
246.09731	23.6
271.10672	2.4
288.10712	3.6
306.11591	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	306.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39506	3.9
56.05039	4.1
58.38972	3.8
63.40746	3.9
67.05495	11.4
69.07004	4.0
70.06585	100.0
72.08128	7.1
74.06053	6.8
74.50703	4.2
84.04491	9.6
84.08138	11.8
86.09681	6.6
91.55243	4.3
98.06024	27.2
109.06489	5.0
110.06047	7.1
112.07613	19.4
118.90770	5.8
120.08128	4.6
121.06461	5.0
137.05968	13.6
137.60666	4.5
138.05508	5.6
140.07140	6.0
141.17104	4.3
144.73715	4.9
154.08737	6.8
161.34750	5.3
165.67638	5.0
167.30716	5.2
188.07037	7.8
198.07674	18.2
203.40703	4.8
205.27713	6.0
237.11551	5.2
280.13013	5.7
288.10672	23.7
306.11884	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	306.1602
Annotation	Vasicolinone
Peak:m/z	Relative Intensity
59.27432	3.1
60.08607	3.1
60.74979	4.3
69.04546	32.1
69.07043	3.8
70.06573	5.6
78.86755	4.5
81.04546	9.4
81.77695	4.0
82.05300	6.7
83.06102	10.0
83.79141	5.1
85.02891	5.5
93.07026	6.3
104.48079	3.8
107.04929	9.4
118.06622	4.5
121.06487	27.6
127.03866	5.8
132.08058	4.1
137.06001	15.0
144.08084	16.8
171.09247	4.9
172.10046	7.1
183.09088	5.0
198.10269	5.5
199.11044	12.3
249.51440	4.6
256.48718	5.0
306.16019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11917	1.0
66.04705	1.4
66.41708	1.2
69.07033	2.0
94.04173	6.4
102.15006	1.3
107.15606	1.5
108.20332	1.4
109.10181	1.6
112.36462	1.4
122.03628	10.4
124.13132	1.3
137.05972	100.0
143.34811	1.4
151.11124	1.5
167.93079	1.4
182.15324	2.4
194.45296	1.6
220.57515	1.8
234.82648	1.4
247.87601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90110	0.5
70.06575	0.8
81.07030	0.8
87.02199	0.7
88.07616	8.3
90.73918	0.6
105.07051	0.8
119.08569	2.1
121.10141	3.2
133.10133	1.5
137.05965	1.1
161.13245	1.8
203.14299	15.9
219.17424	100.0
220.17761	1.7
288.34967	0.8
289.11697	0.9
306.24380	0.8
320.33072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2427
Annotation	Samandarine
Peak:m/z	Relative Intensity
52.47760	1.1
54.87270	1.3
57.07071	41.4
57.67590	1.2
69.07064	1.4
72.04519	1.6
80.10315	1.1
81.07084	1.2
82.71494	1.2
83.05016	1.8
88.07631	7.1
91.86048	1.2
107.04956	44.2
122.03706	2.1
135.11769	2.4
137.05974	31.1
137.06903	1.7
147.08041	2.1
150.19539	1.4
163.11159	11.1
172.35733	1.4
194.11765	100.0
209.92136	1.6
219.17482	5.2
232.70485	1.5
250.18004	90.1
267.29382	1.4
306.24277	24.4
307.26328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14646	1.3
57.07055	5.8
60.97028	1.6
70.06312	1.8
70.06580	19.2
70.33399	1.5
71.08610	3.9
84.05544	1.6
84.08097	1.9
85.02915	3.8
88.07626	15.3
97.02792	1.8
103.03931	4.1
114.09145	10.9
127.03902	3.1
132.10201	32.3
137.05974	3.4
141.11507	1.9
153.93346	2.0
162.65598	1.7
171.02802	2.1
176.12776	4.4
178.84708	1.9
194.13889	4.9
200.20119	6.4
218.21069	2.9
262.23749	2.9
306.26337	100.0
307.26614	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	306.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.9
57.07069	7.2
58.06596	9.3
60.04502	3.2
63.52617	1.1
70.06562	1.8
71.08619	1.6
72.08130	3.4
74.06069	7.1
82.85833	0.8
86.06077	5.6
87.03353	0.6
87.29844	0.7
88.07623	52.1
91.71002	1.5
100.07600	2.1
100.92413	0.8
102.09196	0.9
104.07117	5.3
106.09932	0.8
118.08654	1.1
131.97255	0.9
132.10193	11.9
137.06000	4.2
155.13718	0.9
162.11259	2.8
166.10770	3.6
203.14221	1.3
214.21643	40.1
219.17400	12.1
226.21680	0.9
258.24255	12.4
288.25250	1.7
306.26352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.4
57.06810	0.5
57.07069	8.9
58.06593	3.3
58.24641	0.3
58.48119	0.3
60.53913	0.3
61.21022	0.6
62.22813	0.3
68.05016	0.5
68.15453	0.9
70.06581	36.4
71.08617	5.1
72.08144	4.0
80.30574	0.4
84.07752	0.3
84.08138	3.8
84.87989	0.3
86.09697	4.7
87.02056	0.3
87.04465	0.5
88.07617	19.9
89.06018	0.8
101.94392	0.4
102.09167	9.0
114.09174	0.8
124.30714	0.3
132.10194	11.2
132.99329	0.4
137.05949	1.1
137.33418	0.4
146.10640	0.8
146.11749	10.0
156.17480	3.7
182.19037	0.9
200.20071	28.0
201.86664	0.3
244.22690	41.5
257.45013	0.5
288.25378	1.8
306.26343	100.0
307.26666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45499	4.1
52.53934	3.9
55.05497	9.4
56.96569	6.0
62.39156	4.1
65.84263	4.5
67.05496	16.9
67.35009	3.8
69.03416	10.3
69.07039	8.3
70.06588	24.1
81.07042	15.5
84.04466	8.1
84.08143	7.6
88.07632	12.1
91.71055	9.1
95.08608	21.6
97.02879	4.4
106.08671	7.3
109.10192	6.7
118.08657	18.9
120.86217	4.8
127.03938	6.2
135.11844	5.1
137.05988	14.8
164.07027	5.3
270.24261	21.8
288.25235	25.8
306.13632	6.0
306.23026	7.9
306.26334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02487	3.8
55.05490	10.7
67.05494	46.4
69.07047	12.7
72.04505	100.0
76.55876	4.5
79.05483	8.9
81.07040	42.6
93.07041	12.2
95.08579	30.3
100.07596	4.0
109.10140	14.9
114.09178	6.9
123.11669	8.1
128.10716	7.1
133.10114	5.7
135.11615	6.0
137.05972	52.8
170.15428	6.0
174.04161	4.3
198.18468	4.5
281.07532	5.0
306.27939	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	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.5
55.05502	4.6
57.52737	3.1
61.02919	8.0
65.03944	4.0
67.05511	3.8
69.03412	29.8
69.24996	3.3
70.06575	14.6
71.04959	7.5
72.08144	6.9
81.03419	24.9
84.04479	11.3
84.08118	4.9
85.02899	87.3
86.09698	8.8
90.97808	3.8
91.05459	7.2
97.02886	23.6
99.04448	50.8
103.03935	95.9
104.65121	3.4
108.08111	5.6
109.02881	21.1
115.27480	4.4
126.74039	3.6
127.03907	100.0
134.06018	6.8
136.03915	5.4
136.07570	61.5
137.02371	8.2
137.05960	4.8
145.04945	22.0
152.07109	7.5
154.05009	22.3
162.05394	5.0
163.06042	10.1
187.06082	9.1
191.10556	4.6
230.08125	6.7
272.09189	14.8
307.13089	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
57.03438	3.8
61.02926	6.1
67.05494	2.6
69.03423	28.1
70.06577	2.2
71.05024	3.0
73.02892	2.7
81.03408	27.6
81.03815	2.6
85.02895	100.0
97.02879	26.6
97.03387	2.6
97.62047	2.8
99.04444	54.4
99.05033	4.6
102.05559	3.6
103.03935	90.2
103.04588	5.0
104.92512	2.5
109.02900	20.0
118.93501	2.4
127.03909	99.0
136.07605	4.3
145.04935	25.2
163.06085	9.3
174.42102	2.6
187.06093	9.5
200.10774	5.0
205.07204	3.6
228.10315	7.8
272.09085	2.8
275.63770	2.6
289.11896	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19644	5.6
50.83398	6.0
51.70076	7.1
57.03399	6.5
57.41224	7.0
61.02921	8.7
69.03433	47.8
70.06586	13.2
71.04959	12.0
81.03404	56.1
84.04474	9.7
85.02895	99.2
88.07628	7.2
94.02297	8.6
94.33512	8.7
97.02883	24.3
99.04451	48.1
102.36971	7.3
103.03918	89.9
109.02901	38.4
119.62737	8.8
125.13744	9.4
127.03916	100.0
129.89185	8.9
132.10205	15.2
145.04979	23.4
161.64093	8.3
163.05933	9.9
176.90102	7.7
187.06070	20.9
187.09056	9.0
286.19321	9.0
289.91150	9.6
306.26324	47.0
307.26648	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	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
57.03428	4.2
61.02921	4.5
66.21840	3.0
69.03413	26.2
71.04978	8.2
71.41959	3.1
71.80245	3.2
72.08147	3.5
73.02882	4.9
81.03420	28.0
85.02428	6.8
85.02898	96.5
85.67329	3.5
97.02901	20.9
97.03400	3.2
98.97574	3.6
99.04449	57.7
103.03937	97.9
109.02853	18.9
127.03909	100.0
127.04801	7.0
145.04951	33.6
163.06036	7.9
184.51646	4.2
187.06049	7.6
191.77414	4.3
205.07150	4.2
238.35435	4.1
270.41769	4.0
287.60361	5.3
294.96454	3.7
307.55554	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	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01861	4.2
55.80444	2.6
56.05038	2.8
57.03422	4.2
58.69245	2.5
61.02914	4.9
66.82771	2.6
69.03415	29.7
71.04978	11.1
71.72753	2.7
73.02935	3.3
76.02187	2.6
79.05471	3.0
81.03411	32.6
85.02897	81.4
91.70989	5.6
97.02872	18.7
99.04442	56.7
103.03934	91.9
109.02862	23.8
127.03915	100.0
145.04964	26.5
163.05992	6.8
187.06029	6.9
205.07039	6.9
214.00142	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
63.00472	3.5
69.03427	32.9
71.04984	8.2
73.02935	7.4
81.03399	30.4
82.02520	4.1
85.02895	84.1
85.03352	4.7
97.02888	31.5
99.04442	47.0
103.03938	94.7
103.04604	4.9
109.02853	22.8
127.03909	100.0
127.04780	5.1
137.05962	4.7
145.04973	21.8
163.06117	7.8
168.06543	5.4
187.06126	10.7
205.06999	4.7
208.07321	4.0
262.96115	4.6
267.32278	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01852	3.3
57.03419	4.7
59.25868	1.8
60.86031	1.7
61.02903	5.2
69.03419	38.2
71.04978	4.9
73.02885	2.5
81.03405	30.7
85.02897	88.3
89.13743	2.1
97.02887	21.3
97.58408	1.9
99.04446	49.0
99.05049	3.8
103.03934	88.9
104.30578	1.8
109.02885	20.8
127.03909	100.0
129.54857	1.9
145.04955	18.0
163.06020	6.6
187.05960	11.8
205.07071	5.9
307.11377	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	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01882	2.6
57.03450	5.7
61.02928	5.4
66.12976	2.0
69.03421	39.5
71.05002	8.8
71.37152	1.9
73.02927	3.3
75.68681	2.1
80.50314	1.7
81.03409	28.4
81.03805	2.2
84.08146	3.3
85.02895	95.9
91.71040	4.3
91.71616	4.1
97.02885	24.1
97.03371	1.9
99.04445	47.3
99.05033	3.1
103.03936	86.7
109.02863	20.2
109.51431	2.2
127.03906	100.0
131.02707	1.8
145.04965	23.2
145.83049	2.3
163.06023	4.9
164.51822	2.3
187.06105	9.8
198.02594	2.2
205.07082	5.5
219.97076	2.2
224.63379	2.2
230.49309	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29984	3.6
51.72710	4.1
53.03934	4.7
55.01858	5.8
56.05068	4.2
56.81021	4.3
57.03425	5.1
69.03434	26.0
70.06591	14.7
71.04987	10.6
73.02909	6.1
76.02225	6.6
76.04021	5.3
78.26727	4.5
81.03415	33.2
84.04498	19.0
84.08154	7.9
84.42359	4.8
84.82467	5.4
85.02891	100.0
86.09679	6.4
97.02908	31.8
99.04436	63.9
99.04931	5.2
103.03926	97.1
109.02898	20.3
121.19611	5.3
127.03903	95.7
130.04968	6.2
137.06007	6.4
145.04916	32.0
146.66193	6.1
155.17242	6.0
261.11261	6.3
271.08087	7.7
293.37924	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
57.03450	2.2
60.21787	1.3
60.32148	1.6
63.03161	1.6
69.03429	6.2
70.06589	3.5
71.05016	1.5
73.02915	2.0
76.02247	5.7
76.03999	1.7
77.66976	1.4
79.55982	1.5
81.03416	5.6
81.04546	11.8
83.04988	3.3
84.04498	14.4
85.02898	13.8
85.56111	1.6
91.71020	1.5
95.05031	1.7
97.02900	9.9
99.04453	8.4
103.03963	2.7
109.02911	4.8
111.04502	2.6
117.05529	6.6
121.06557	2.1
122.07144	100.0
127.03910	11.0
130.05054	7.3
142.89140	1.7
144.04771	44.1
145.05009	5.0
164.08185	81.1
177.03320	2.1
179.04950	2.0
185.03841	2.0
208.51100	1.8
244.96918	1.8
289.12662	1.9
299.37167	1.8
307.12448	7.6
318.99799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	4.0
66.57819	1.5
67.05501	13.6
69.03419	3.4
70.06573	9.5
73.09573	2.1
74.05138	1.9
79.05481	4.0
81.07027	4.2
84.04475	3.7
84.08102	3.7
85.02892	16.4
86.06059	3.6
86.09689	4.8
91.05449	6.1
95.04942	4.0
99.04458	2.6
102.05553	9.1
103.03941	3.2
107.04922	5.1
108.08104	4.1
109.06488	5.4
110.06035	21.7
112.03948	5.7
118.06414	2.1
124.05229	2.1
127.03875	6.4
132.08098	6.8
134.06030	4.8
135.04384	5.3
136.04001	2.3
136.07582	36.8
137.02383	1.9
137.05992	15.8
138.05495	20.7
146.09592	4.0
152.07062	6.5
153.05447	21.9
154.05003	5.2
156.07933	2.0
159.09166	13.3
160.07509	10.4
162.05412	3.0
174.09119	4.8
176.14288	2.0
178.08656	2.4
187.08652	22.3
188.07054	21.9
202.08659	5.3
205.09750	31.3
206.08183	13.2
230.08093	34.4
272.09183	4.2
290.10172	4.2
307.12842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60619	4.2
53.70457	4.0
57.03432	4.3
65.90308	4.3
67.05465	6.9
69.03402	20.5
70.06572	14.5
71.04964	6.5
72.08123	7.5
81.03405	18.0
84.04525	5.7
84.08122	5.7
85.02894	58.1
86.09679	9.3
91.05461	6.1
91.71768	10.8
97.02895	20.5
99.04442	25.2
100.37939	5.3
100.80367	6.0
103.03944	49.4
108.08103	6.2
127.03927	59.6
136.07555	100.0
137.06001	10.5
145.04951	16.3
154.04996	22.8
154.83699	5.2
163.06001	5.5
164.07004	5.2
178.08633	11.2
187.06009	7.2
201.10211	8.2
230.07971	6.0
247.10858	5.7
265.11746	8.3
289.11823	14.5
307.12912	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	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60619	4.2
53.70457	4.0
57.03432	4.3
65.90308	4.3
67.05465	6.9
69.03402	20.5
70.06572	14.5
71.04964	6.5
72.08123	7.5
81.03405	18.0
84.04525	5.7
84.08122	5.7
85.02894	58.1
86.09679	9.3
91.05461	6.1
91.71768	10.8
97.02895	20.5
99.04442	25.2
100.37939	5.3
100.80367	6.0
103.03944	49.4
108.08103	6.2
127.03927	59.6
136.07555	100.0
137.06001	10.5
145.04951	16.3
154.04996	22.8
154.83699	5.2
163.06001	5.5
164.07004	5.2
178.08633	11.2
187.06009	7.2
201.10211	8.2
230.07971	6.0
247.10858	5.7
265.11746	8.3
289.11823	14.5
307.12912	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	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
56.05000	5.8
69.03422	16.3
70.06563	21.5
71.31828	5.4
72.08142	7.6
74.06081	8.6
76.02190	10.6
76.36623	6.6
79.05480	8.6
81.03406	13.7
84.04485	13.9
84.08146	13.8
85.02889	30.9
86.09705	12.1
91.20910	6.8
97.02885	14.6
99.04446	17.5
103.03941	17.9
110.06056	24.8
111.04460	17.4
119.32049	7.9
127.03901	25.3
129.10240	15.0
130.04990	11.2
134.06003	48.2
152.07062	100.0
180.42799	7.2
212.04849	8.8
217.67137	7.0
228.09044	9.4
229.09813	18.3
238.07385	12.0
254.08102	13.6
256.08408	18.2
271.10736	35.5
289.11798	72.4
307.12845	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	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93004	1.5
52.99099	1.5
55.93519	3.2
56.94307	2.1
63.47841	1.4
67.05486	5.2
68.05785	2.4
69.03416	7.2
70.06237	2.5
70.06586	30.8
70.95838	2.6
71.04988	1.8
71.06911	9.9
72.93771	5.6
79.05486	7.9
81.03416	2.3
84.04490	5.5
84.08124	2.8
85.02905	9.4
85.08511	1.7
86.09696	3.6
88.04031	1.8
90.94814	5.0
95.04948	3.8
97.02869	2.4
99.04446	4.7
103.03941	10.0
107.04922	9.7
107.60558	1.6
109.02861	2.0
110.06038	2.5
111.98476	2.0
112.07610	5.1
113.08007	2.3
113.31914	1.8
113.96408	7.7
117.32477	1.8
120.08099	1.9
122.06020	1.7
125.90040	1.9
127.03916	8.5
131.97444	2.2
132.08028	2.2
134.05963	4.0
136.07573	5.9
137.05986	3.1
138.05540	1.8
146.06012	6.5
152.07091	6.1
152.99948	3.3
154.99045	2.4
160.59364	1.7
172.03796	1.9
176.01669	2.0
180.99490	4.1
182.08250	2.4
182.97365	3.4
183.06821	2.4
183.09167	4.2
184.07581	11.3
185.07132	2.1
188.07137	2.4
199.00525	11.1
199.08839	2.5
200.07138	2.7
200.09387	3.8
201.10136	8.9
205.98952	8.6
208.00551	2.8
211.08327	4.2
212.07072	10.1
213.06549	8.9
214.07416	5.6
214.10925	2.4
217.01567	5.1
222.02094	36.3
225.06653	2.7
225.10066	4.1
226.08646	7.1
227.08191	6.5
228.08907	21.4
229.09715	31.0
234.31519	1.9
237.06471	2.4
238.07339	28.0
239.04579	3.0
240.03131	16.7
243.07565	4.2
243.11195	9.5
245.03702	2.2
246.09648	2.9
247.01729	6.2
247.10066	6.0
253.09756	16.1
254.08063	16.1
256.08380	53.4
263.04742	37.6
266.01074	3.0
271.10757	52.5
289.11774	100.0
289.74423	1.9
307.03766	19.4
307.12790	14.0
319.95621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70654	3.5
58.50834	3.0
60.54351	3.7
84.04496	8.2
86.66190	5.0
137.06015	5.0
139.82587	4.8
151.85947	4.1
181.34245	4.2
221.55164	4.3
307.15173	100.0
322.28699	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	4.5
58.06576	4.2
60.15460	1.6
60.39389	1.4
66.73706	1.7
69.03421	1.7
70.06564	5.9
71.72305	1.8
84.04494	30.8
84.08133	100.0
85.02920	2.2
86.06060	10.0
86.09705	10.5
88.03990	3.0
88.07621	5.4
91.05492	2.4
114.64735	1.7
118.36345	1.6
137.05962	13.7
141.13881	8.5
169.13307	9.2
215.13872	29.0
220.09673	7.3
230.41968	2.2
243.16995	36.3
262.08154	2.4
262.11072	2.5
286.60181	2.3
307.16666	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	307.1897
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
55.01865	6.8
55.05493	6.8
56.96550	6.3
57.03428	5.2
57.07044	4.1
67.05494	36.9
69.03413	4.9
69.07063	29.8
79.05486	23.6
81.07057	30.0
81.50916	4.8
83.04969	8.7
83.08639	4.7
83.23259	4.3
91.05479	25.3
93.07050	32.8
95.04961	19.4
95.08589	25.4
105.07003	24.6
107.04935	9.8
107.08598	15.4
109.06568	7.7
109.10181	9.0
111.73934	4.7
117.07061	6.3
119.08566	14.7
121.06498	9.8
121.10109	10.0
121.64811	5.9
127.68813	5.3
129.07109	6.0
131.08566	9.6
133.10110	16.0
137.05959	6.4
145.10077	6.8
159.11658	8.7
163.44221	5.5
225.16342	6.8
251.12950	7.1
261.18466	7.8
289.18091	9.9
307.18896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
50.35781	4.4
53.03912	4.5
53.07733	3.8
55.01853	6.7
55.05490	16.3
57.03428	7.8
67.05499	47.4
68.47908	4.7
69.03396	9.5
69.07049	8.8
71.04991	7.4
71.82082	4.8
72.97629	6.1
74.47440	5.1
79.05488	26.5
80.81006	5.1
81.07053	35.7
83.04992	14.5
85.02839	6.3
85.06528	6.6
91.05469	64.9
93.07034	34.5
93.12804	5.6
95.04952	16.3
95.08588	42.1
97.06525	13.7
99.04447	6.8
105.07043	61.6
105.76619	5.1
107.08587	24.7
109.10152	15.0
111.04433	9.0
113.06013	15.3
115.05359	4.8
117.06998	44.6
119.08577	43.7
120.00119	4.8
121.10149	20.5
127.03932	8.4
129.07007	19.6
130.07799	6.3
131.08554	47.0
133.10120	29.5
135.11713	11.2
137.40657	5.0
143.08563	15.9
145.10085	55.2
147.11676	43.0
149.13286	13.4
155.08591	11.7
157.10118	20.3
159.11656	72.9
160.04347	5.7
169.10129	11.6
171.11719	10.0
173.13232	11.6
185.13277	9.2
199.14772	17.4
203.38477	5.8
225.16364	17.0
227.17905	7.0
240.06996	6.4
243.17513	7.4
263.20114	6.9
289.17914	6.1
307.18994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48657	14.5
55.05516	28.6
57.03414	40.0
65.00215	14.8
67.05479	94.5
69.07054	51.1
69.42069	18.1
71.91279	15.3
73.99783	17.5
79.05479	42.7
81.07036	97.9
83.08652	16.1
83.33126	14.8
91.05467	66.5
93.07024	57.5
95.04960	70.2
95.08632	44.6
97.06528	42.1
105.07034	99.0
107.08579	56.0
109.10108	40.2
117.07018	24.6
119.08569	92.5
121.10119	48.2
122.65424	18.6
128.06248	20.8
129.07030	22.4
130.19963	19.9
131.08604	39.3
133.10130	100.0
135.11679	22.6
137.06033	28.5
142.07819	39.8
143.08560	69.2
145.10112	67.4
147.07988	26.9
154.07758	24.3
155.08568	23.1
156.09370	36.0
157.10101	38.4
158.10962	27.1
159.11699	53.4
165.06967	25.6
167.08577	47.2
169.10126	47.2
171.11598	31.5
173.13268	27.5
181.10062	36.8
182.10933	26.5
183.11732	20.6
195.11642	25.0
197.13300	55.1
205.10419	20.7
206.10985	25.9
207.11627	25.0
209.13187	39.2
215.18002	28.3
263.17914	25.3
273.87479	21.7
304.02216	23.7
307.20184	48.3
307.23245	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55017	12.2
53.08248	10.2
55.07295	9.6
57.03407	13.9
64.52090	12.3
67.05489	100.0
73.78349	11.0
73.89008	12.7
79.05472	29.9
80.95933	11.4
81.07042	74.0
91.05470	28.8
93.07028	56.7
95.08591	56.4
100.85136	12.3
109.10154	19.3
121.10131	23.2
138.06256	18.5
223.54456	13.7
266.08685	13.6
307.22714	55.0
321.80948	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46199	12.1
54.49951	9.1
55.05489	25.7
57.03424	31.7
61.81229	11.5
67.05490	100.0
69.07061	11.3
73.06933	10.1
73.97319	10.3
79.05472	45.1
81.07045	82.8
82.90211	10.5
91.05467	34.2
93.07031	61.1
95.08601	49.4
109.10097	12.6
111.78204	11.3
118.06532	13.8
121.10132	15.5
124.81918	11.5
135.25826	12.8
177.74139	11.9
193.81227	14.1
230.59326	13.2
236.75879	12.5
259.57306	12.3
307.22678	67.8
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	Litseakolide B
Peak:m/z	Relative Intensity
55.05489	17.0
55.09126	4.0
57.03433	35.3
57.41162	4.8
58.18197	4.5
63.12916	5.0
67.05499	100.0
69.07057	15.6
77.74834	5.1
79.05489	55.1
81.07052	71.3
83.04986	5.6
83.08618	6.5
91.05482	31.8
93.07045	54.9
95.04953	10.7
95.08593	55.7
97.06483	6.3
105.07047	15.4
107.08597	17.1
109.10149	20.5
117.07051	6.8
119.08577	6.7
121.10154	21.3
123.11726	7.0
131.08571	5.7
133.10175	13.8
135.11652	12.6
145.10074	7.3
178.81953	6.3
195.29742	6.3
215.17943	6.0
307.22598	86.1
321.48193	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	307.2265
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.50898	5.2
55.05493	24.5
56.92218	4.9
57.03424	27.8
65.21233	4.8
67.05496	100.0
69.04162	4.8
69.07065	13.5
79.05491	53.4
81.07052	76.9
82.09358	7.1
87.55190	7.2
91.05462	26.4
93.07040	57.1
95.08588	44.2
105.07013	9.2
107.08569	14.9
109.10175	20.3
119.08577	9.2
121.10143	25.1
122.21240	5.5
123.11755	8.0
124.93314	6.6
125.12491	6.0
131.08603	7.2
133.10132	8.9
135.11696	8.0
145.10066	7.3
149.13229	8.6
202.73508	6.9
261.23175	6.8
307.22662	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
55.05516	33.1
57.03440	31.7
67.05499	100.0
69.07075	19.9
70.33321	7.8
79.05489	50.6
81.07056	73.0
91.05511	34.2
93.07044	55.2
95.08595	54.8
105.07042	16.5
107.08633	11.2
109.10142	18.6
119.08619	8.8
121.10195	27.0
123.11723	9.4
124.81377	9.2
133.10255	12.3
135.11694	12.8
137.05956	11.6
138.06348	17.2
158.10884	8.8
176.77664	9.3
307.22693	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	34.4
56.76040	8.1
57.03413	21.4
67.05499	100.0
69.07068	11.5
73.08608	9.4
74.52531	9.7
79.05481	44.6
81.07050	94.4
88.04588	9.5
89.20034	8.9
91.05470	29.6
91.71009	16.9
93.07036	75.9
95.04930	10.1
95.08598	57.0
104.31496	9.4
107.08576	23.7
109.10160	26.5
120.56199	8.8
121.10153	19.7
131.08492	13.3
135.11725	16.6
137.05981	17.4
138.27817	10.4
253.32146	11.4
307.22678	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.2
55.05492	26.6
57.03423	32.4
57.07043	5.7
63.49036	5.8
67.05166	9.2
67.05493	96.0
69.07056	19.6
73.11403	5.2
79.05484	59.8
81.07042	100.0
88.32164	6.7
91.05459	33.2
91.71062	9.4
93.07031	66.6
95.08594	69.6
105.07035	16.1
107.04964	8.7
107.08575	34.0
109.10148	32.8
109.39873	6.2
117.07034	9.3
119.08572	10.5
119.63201	6.6
121.10140	39.9
123.11706	15.6
125.07875	6.0
126.45673	5.7
129.05467	11.2
131.08591	25.0
133.10147	12.1
135.11699	26.7
137.05984	32.2
138.06302	31.1
145.10104	17.1
147.11667	10.6
149.13261	19.1
159.11685	9.7
215.17976	34.8
233.19127	9.4
244.40340	6.2
247.44872	6.9
307.22672	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	Decaryiol
Peak:m/z	Relative Intensity
51.40496	3.3
55.05494	16.9
57.07070	10.6
65.82497	3.5
67.05500	12.9
69.07064	35.4
73.54770	3.7
74.33949	4.2
81.07043	28.1
83.04980	39.7
83.08614	14.2
85.06523	10.4
93.07046	9.1
95.08598	26.9
97.06547	4.8
99.08109	8.0
105.07043	5.8
107.04977	6.2
107.08576	13.8
109.06503	8.7
109.10167	16.9
119.08607	12.7
121.10122	10.4
123.08068	5.7
123.11692	9.7
125.09626	4.5
129.20244	3.9
133.10162	9.1
135.08089	18.0
135.11705	6.9
137.09669	6.6
137.13287	5.3
149.13275	6.5
151.11128	6.0
163.11186	7.8
175.14842	4.9
177.12704	5.2
194.11829	7.7
195.12013	6.9
205.15964	4.9
251.18359	10.9
271.24493	5.5
289.25220	9.5
307.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.07466	4.3
55.05489	15.1
67.05489	23.6
69.07064	40.3
70.27865	4.3
71.06867	6.0
79.05464	17.4
81.07046	100.0
83.08593	15.0
91.05471	12.0
93.07036	30.9
95.08597	52.8
95.80098	4.9
97.10135	12.1
99.08074	8.8
105.07030	14.7
107.08588	15.1
109.10169	33.3
110.27707	4.6
119.08511	6.5
121.10126	8.0
123.11719	18.7
133.10063	6.2
135.11670	6.6
136.94833	5.6
149.13203	5.7
179.98740	5.4
271.24265	6.5
277.25366	19.7
289.25256	22.6
307.22614	15.1
307.26404	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.07511	3.4
55.05503	32.7
57.03424	7.1
57.07062	16.0
67.05498	34.5
68.90054	4.2
69.07056	85.7
69.23868	4.2
71.08617	8.8
71.43953	4.1
72.04504	12.5
78.00909	4.1
79.05463	13.8
81.07047	64.1
81.92862	4.7
83.08617	32.0
91.05470	15.3
93.07019	28.8
95.08604	54.6
97.10152	8.3
105.07034	21.0
107.08588	26.3
109.10159	23.6
111.11719	24.7
117.06975	6.8
119.08604	14.8
121.10149	22.1
123.11697	9.7
123.94237	5.3
129.36411	4.8
131.08614	7.0
133.10107	8.6
135.11694	18.6
137.05974	33.9
138.06294	31.7
145.10126	11.8
146.56895	4.9
147.11743	8.2
149.13330	12.0
159.11731	7.1
161.13287	8.4
173.13264	8.0
215.18143	7.7
219.52242	5.2
222.65143	5.6
256.01129	5.7
289.25226	9.9
307.06097	6.0
307.22714	21.2
307.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(ent-7alpha,8beta,12E)-12,14-Labdadiene-7,8-diol
Peak:m/z	Relative Intensity
51.08443	5.6
55.05510	44.8
57.03464	7.8
57.07067	77.0
67.05492	67.4
69.07059	75.6
71.04987	9.7
71.08617	55.3
72.80131	6.6
76.02199	10.8
79.05484	36.1
81.07050	100.0
83.08606	24.5
85.10170	19.7
87.25495	6.1
91.05478	16.7
93.07033	62.2
95.04949	9.3
95.08594	84.0
96.08460	6.6
97.10171	15.2
102.58108	9.8
105.07024	18.4
107.08595	49.5
109.10143	48.7
111.04432	46.4
111.05096	6.6
121.06514	12.9
121.10149	27.4
123.11695	20.5
135.08076	7.4
135.11703	25.1
136.34549	7.6
137.06000	37.7
138.06326	26.7
139.07529	7.8
149.09697	9.0
149.13235	13.9
153.09097	14.6
167.10670	13.5
181.12154	12.2
195.13818	19.6
205.19592	9.5
209.15282	16.5
223.16910	29.4
237.18440	44.9
251.20161	53.8
265.21524	16.1
307.25974	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	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
55.05496	24.8
57.07058	22.4
57.31824	9.2
67.05475	41.9
69.07057	65.4
71.08614	27.6
73.43003	13.0
79.05499	16.4
80.11998	11.1
81.07043	100.0
84.18731	11.7
84.19221	10.1
85.06552	17.6
91.05474	17.4
93.07057	59.0
95.08610	69.8
105.07004	26.8
107.08603	50.1
109.10142	42.2
119.08588	26.1
121.10126	30.7
123.11662	18.4
126.97511	12.6
133.10153	17.6
135.11697	35.6
137.05945	27.2
147.11690	34.7
149.13263	15.2
159.11673	18.9
161.13255	15.2
173.13333	13.6
177.12828	13.9
231.21167	16.0
236.11171	13.1
260.79959	13.8
271.24222	33.8
289.25314	39.3
307.26300	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.64167	3.5
55.05495	19.1
57.03416	9.5
57.07059	15.8
67.05499	37.6
69.07053	78.3
71.08613	7.4
72.04503	11.1
73.04819	4.2
79.05467	10.7
81.07049	58.7
83.08597	21.8
90.60360	4.8
91.05460	10.1
93.07049	34.8
95.08606	46.4
97.10158	5.7
103.96823	4.1
105.07056	13.5
107.08589	21.5
109.10148	22.9
111.11741	22.2
119.08572	12.3
121.10135	18.7
123.11723	7.5
125.09677	4.6
131.08568	6.0
132.50067	4.5
133.10141	7.6
135.11676	19.6
137.05969	37.1
138.06319	21.6
145.10132	11.2
147.11700	8.7
149.13240	7.9
159.11671	10.7
161.13269	5.6
190.16978	5.1
216.83997	5.5
271.23984	8.0
271.52289	5.0
289.25253	10.7
298.53375	4.9
307.06055	6.8
307.22665	7.5
307.26157	100.0
308.02026	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	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05028	3.3
58.99579	20.0
62.10962	1.5
69.43585	1.7
76.02221	100.0
76.04009	2.3
81.03468	1.4
84.04494	46.2
86.99084	3.2
91.71786	1.8
95.40155	1.9
96.81068	1.8
101.78037	1.8
113.63623	1.8
114.29895	1.7
116.01672	16.7
130.05016	9.5
140.32672	1.9
142.03267	7.5
144.01163	9.8
162.02184	28.8
162.03302	2.4
164.84395	2.0
170.02795	2.5
179.04863	34.7
179.06284	2.9
186.54489	1.9
187.05415	2.7
209.05838	2.2
233.05884	10.9
308.09158	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	308.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	2.2
58.99577	17.4
67.82079	1.8
70.86526	1.4
73.83017	1.5
76.02216	100.0
76.03987	2.8
84.04491	48.6
86.99048	3.2
91.71031	1.6
96.40794	1.6
101.52327	1.5
107.98595	1.8
116.01685	19.2
130.04997	9.0
137.06073	1.9
142.03209	9.5
144.01137	10.6
162.02190	31.5
179.04836	40.1
187.85190	1.9
215.04938	3.0
233.05876	7.9
292.66083	1.8
308.09033	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	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64095	6.7
58.99573	14.6
62.43869	6.5
69.00370	8.7
69.03414	7.8
70.06583	36.3
71.04994	6.8
72.08146	16.4
72.71479	6.9
76.02225	77.8
81.03419	38.8
83.04967	7.8
84.04491	55.7
84.08156	11.6
85.02912	8.1
86.09697	10.0
88.63982	8.2
91.71634	8.3
91.84767	7.7
95.05020	8.5
97.02842	12.3
107.04950	9.0
107.69040	6.9
115.05498	8.6
116.01699	14.4
116.52612	8.9
127.14341	8.2
128.06236	15.5
137.43608	9.5
142.03226	9.5
144.01279	9.1
153.07031	22.2
157.06499	16.9
161.05957	21.4
162.02223	22.7
171.08089	20.0
179.04865	36.1
181.06500	34.3
185.05995	14.5
199.07553	49.2
209.05925	11.4
211.57236	8.8
227.06960	45.8
233.06026	14.1
245.08170	26.3
252.18533	10.7
255.06552	41.0
273.07486	100.0
278.14371	10.2
290.12427	10.9
291.08826	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	308.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
56.96561	3.2
65.38014	2.3
68.87971	2.6
70.06592	27.9
72.08167	4.2
73.68871	2.7
76.02224	7.7
81.03399	3.0
84.04504	10.2
84.08142	10.2
85.02907	4.1
86.03224	3.0
91.70761	3.1
103.03959	4.4
106.46791	2.6
111.10436	2.7
115.05454	7.6
116.07062	3.9
120.08102	7.4
124.84643	3.2
125.34044	3.0
127.03959	6.0
128.04269	5.2
128.06233	8.2
129.07021	9.6
141.06960	5.4
143.04956	7.5
143.08569	6.3
145.06439	3.7
147.08070	3.5
153.07008	19.2
157.06511	13.1
157.15002	3.5
161.06030	9.3
164.07010	3.5
171.08018	24.0
181.06476	21.6
185.05991	10.9
187.07613	5.0
199.07538	43.4
199.09274	3.9
209.06026	11.3
217.08821	3.7
227.06961	39.8
229.05019	8.2
237.05429	8.4
245.08134	19.6
255.06487	32.2
273.07544	100.0
291.08783	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	308.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61029	7.2
55.73920	6.6
56.96344	6.8
56.96555	77.2
58.52732	6.9
59.07243	7.4
70.06565	13.7
76.02213	39.6
81.03402	24.4
84.04487	41.5
86.09683	9.3
98.83501	7.7
108.04604	9.1
124.00720	13.7
142.01775	28.8
160.02800	30.9
162.02209	11.9
164.54749	8.7
165.03416	23.0
173.63097	8.9
179.04987	16.8
183.04404	60.9
198.08035	11.4
206.06001	23.8
216.09052	58.1
234.10194	20.7
239.10683	100.0
241.12361	21.0
257.11755	31.4
264.13739	10.6
272.11334	15.8
280.13385	28.8
282.50891	9.4
285.11227	21.3
290.12277	24.4
303.12280	14.5
308.12750	74.9
326.13687	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	308.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	23.0
59.12407	4.7
68.04992	5.4
70.06596	19.7
72.08164	8.3
76.02274	5.9
80.05029	4.5
84.04496	24.2
84.08152	10.0
86.09716	16.8
86.99052	12.3
91.05517	6.5
96.77720	4.7
97.98225	4.5
100.02202	86.5
100.02808	5.5
105.00119	17.3
124.84661	5.2
135.88426	5.2
136.39172	6.4
137.06021	16.5
139.02219	5.5
145.32510	5.6
146.02682	75.8
146.03661	6.0
165.03770	13.8
212.06006	6.1
218.11440	5.3
228.33453	4.8
237.08217	5.9
241.79762	5.6
296.67328	5.3
308.13205	100.0
311.04779	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1856
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
50.69915	1.7
55.05486	3.3
58.99573	2.1
67.05493	3.0
69.07049	3.1
70.06547	2.1
71.04990	1.8
76.02225	11.2
81.03408	2.1
81.07056	2.7
83.08580	1.9
84.04480	7.8
91.05441	3.4
95.08604	4.1
103.05457	15.7
108.79493	1.8
115.05442	2.2
116.01655	3.6
117.06997	9.3
123.04421	8.8
123.05307	1.8
131.04924	39.0
135.72125	2.2
137.05974	13.6
145.06483	25.8
147.04393	8.8
149.05974	90.8
149.07175	4.6
151.07358	2.0
153.38315	1.9
157.06381	2.7
157.47182	1.9
159.08032	3.9
161.05948	6.5
162.02214	4.2
163.07513	27.4
165.05482	8.6
171.08116	2.2
173.06033	3.4
175.07562	9.0
177.09079	3.3
178.50272	2.5
179.04874	4.1
181.06375	2.3
187.07426	2.7
189.09068	3.0
199.07635	2.6
237.12727	3.5
255.13867	2.5
273.14960	9.3
279.73245	1.9
290.12054	3.3
290.17422	2.9
291.15750	6.8
296.51294	2.1
308.08521	2.5
308.18539	100.0
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
51.90891	0.4
54.31681	0.5
57.92815	0.5
66.04702	0.7
69.07056	0.8
81.07042	1.6
91.71599	0.8
94.04163	2.1
95.08568	0.7
110.33447	0.6
114.44176	0.6
122.03648	7.5
137.05974	100.0
137.13190	0.8
142.89336	0.6
169.00354	0.7
178.27516	0.6
184.16997	2.9
185.78899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05489	7.4
56.05028	16.2
63.64955	1.9
67.05489	15.9
69.07056	7.7
70.06578	3.1
79.05482	11.5
81.03401	2.0
81.07034	16.4
82.06551	3.7
83.04980	3.0
83.08620	3.0
91.05483	20.0
93.07032	19.7
95.04972	4.0
95.08588	14.0
96.08123	11.5
98.09688	4.2
105.07050	18.4
107.04955	5.6
107.08581	9.2
109.06518	6.0
109.10134	2.7
110.09692	7.8
117.07055	3.8
118.55067	2.0
119.08565	12.3
121.06535	5.5
121.10159	4.8
123.08045	5.2
127.03574	2.1
129.06967	6.4
130.87804	2.6
131.08575	10.0
133.06557	2.5
133.10120	9.1
135.08051	3.3
135.11711	5.1
138.59305	2.6
143.08578	6.4
145.10132	9.6
147.08064	5.5
147.11707	6.6
157.10175	4.5
159.11734	4.1
161.09590	4.1
161.13243	4.4
163.11198	6.6
170.88118	2.4
171.11647	5.5
177.12781	4.4
185.13280	3.2
189.12738	8.1
206.15654	3.2
210.21086	2.5
244.20581	4.7
245.19083	8.6
262.21655	100.0
305.45734	2.3
308.22220	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42356	1.8
53.00293	2.0
55.05503	12.4
57.03394	2.1
57.07063	4.9
61.82982	2.0
67.05501	19.2
69.07061	14.3
71.04974	3.8
71.08625	28.0
71.17904	2.0
79.05482	9.5
80.88157	2.2
81.07049	33.7
83.04983	4.0
83.08604	8.2
85.06483	3.1
89.64232	1.9
91.05463	6.9
91.71024	5.0
93.07040	21.7
95.04953	9.1
95.08597	26.5
97.06517	5.2
97.10139	3.0
99.08103	11.2
105.07040	8.0
107.08612	12.2
109.06513	23.6
109.10163	8.6
115.50654	2.1
119.08601	8.7
121.10132	7.9
123.08031	3.5
129.61250	2.6
133.10117	6.8
135.11681	2.6
137.09682	2.2
147.11743	4.9
149.13316	3.1
151.11159	3.4
165.12717	32.0
175.14835	6.7
179.14388	3.8
193.15947	6.5
210.18553	3.4
223.13367	2.3
235.16937	5.4
291.23157	100.0
308.25809	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	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20783	0.6
54.43439	0.8
55.05503	12.5
57.07062	1.6
64.13109	0.9
67.05493	7.8
69.06742	0.9
69.07063	13.8
71.08616	1.2
71.79781	0.9
72.04507	100.0
79.05467	1.4
80.53629	0.8
81.07045	9.4
83.08611	7.0
88.07567	1.0
91.71746	1.1
93.07032	2.1
94.00607	0.8
95.08598	8.9
97.10146	2.5
100.07591	3.1
105.06997	1.6
107.08561	1.1
109.10151	3.6
114.09167	8.5
123.11702	2.5
128.10707	6.6
142.12238	4.1
147.11749	1.5
151.14929	0.9
156.13829	3.7
170.15314	2.0
180.37935	0.9
184.16943	1.7
196.35538	1.0
198.18460	1.5
212.20029	1.2
226.21561	1.0
271.62759	1.0
308.29437	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	308.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43307	1.1
51.82614	1.1
55.05511	11.2
57.07059	2.4
57.72080	1.3
67.05506	9.7
69.07063	13.7
72.04507	100.0
77.82793	1.4
81.06634	1.5
81.07034	8.9
83.08607	7.4
91.05453	1.9
93.07044	2.2
95.08614	9.5
97.10162	2.2
100.07608	4.2
106.63535	1.5
107.08605	1.9
109.10139	3.7
114.09177	9.2
116.27200	1.7
117.68114	1.6
128.10701	6.7
128.25734	1.6
133.66249	1.5
142.12283	3.6
156.13834	5.2
168.13965	1.9
170.15454	2.3
196.16957	2.6
308.29456	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96995	12.0
55.05495	77.6
58.86426	14.2
59.68819	11.8
60.55352	13.8
67.05492	57.6
69.07053	100.0
71.08632	18.8
72.04506	63.9
79.05470	14.1
81.07047	63.7
83.08614	42.7
90.87891	16.0
95.08607	65.8
97.10163	26.6
109.10110	23.0
114.09202	25.9
124.88628	15.2
127.94511	17.1
128.10727	28.9
142.79636	15.3
147.72017	18.9
308.29404	94.3
309.24469	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	309.0901
Annotation	Alprazolam
Peak:m/z	Relative Intensity
52.27485	2.1
56.61585	2.2
56.96551	10.1
57.03436	2.1
57.52264	2.3
69.07053	3.1
70.06582	13.0
72.08160	4.0
74.08463	2.4
76.59298	2.4
83.18061	2.1
84.04486	3.8
84.08141	6.5
86.09688	8.7
89.37025	2.8
107.04942	100.0
108.05274	9.0
109.06512	15.0
128.98453	3.6
129.10262	3.1
149.00632	5.8
152.71100	2.5
158.05988	5.2
159.02626	3.5
163.02161	5.4
164.07057	10.5
172.07552	4.6
183.03221	5.5
185.01163	4.3
187.02138	10.5
190.03262	7.9
201.04343	9.6
204.04782	10.4
206.04869	10.2
208.04280	11.2
219.05347	3.1
220.04179	2.6
224.05997	8.5
232.04340	13.0
245.03403	6.3
246.05797	17.9
247.07500	7.0
250.03870	6.1
262.05286	5.8
265.04910	4.6
268.04941	15.4
273.07108	4.4
277.06738	2.7
291.06662	21.3
292.06149	11.8
309.09015	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0902
Annotation	Alprazolam
Peak:m/z	Relative Intensity
51.48230	2.7
53.20856	2.8
56.05046	3.6
56.96569	3.1
57.09239	3.0
66.15548	3.1
70.06600	14.9
72.08170	10.5
78.31996	3.4
81.07051	3.8
84.04505	4.7
84.08167	10.6
85.02904	4.0
86.09731	14.0
91.05511	4.0
91.71089	8.4
100.11252	7.0
107.89600	3.3
109.10268	3.8
117.03414	4.0
120.08131	9.3
121.08517	4.1
121.10104	3.8
127.08902	4.2
159.02641	5.2
159.60001	3.9
167.10727	6.0
177.05481	6.4
178.03343	4.3
190.03288	9.6
195.30812	4.0
200.05495	4.9
208.04318	5.9
214.03264	8.5
216.04771	6.1
228.04756	22.5
232.04317	6.1
244.04410	9.1
246.05836	21.2
255.05858	9.2
258.45737	5.0
262.05496	6.0
273.07022	10.1
274.05396	6.6
291.07944	33.3
291.15503	4.7
292.06735	5.1
309.09027	100.0
309.16650	12.0
309.95148	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	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61783	1.8
56.05039	3.3
56.96562	2.0
59.03006	1.6
68.01398	4.8
70.06599	3.0
74.88297	1.6
82.02937	4.0
84.08157	3.1
91.71574	2.9
92.29796	1.7
93.00906	3.7
95.02435	16.7
98.06075	3.3
99.04488	5.6
112.04000	5.2
116.07053	10.3
120.95070	1.9
122.37144	1.8
131.04933	3.3
132.05353	2.4
136.05075	20.9
137.06032	3.4
139.12135	1.8
149.05972	10.8
150.06331	3.8
154.06174	4.5
164.07114	7.9
166.30910	2.0
168.07666	70.0
194.05603	100.0
213.38640	2.3
248.10352	2.9
253.91313	2.7
266.11511	3.9
289.12775	1.8
308.18588	6.5
309.08609	4.3
309.12137	14.2
309.18918	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03107	4.3
56.23445	4.3
61.59338	4.4
67.01830	5.2
68.04996	15.4
69.03417	18.4
72.06874	5.0
81.03408	44.0
84.04494	79.4
84.08137	15.8
85.02878	32.8
86.06026	8.7
96.04475	22.5
97.02315	10.6
97.02880	95.1
98.06020	9.5
102.05556	12.9
104.37454	5.9
109.02876	12.2
110.06120	9.2
111.04411	7.7
114.05528	20.4
116.77743	6.1
126.05532	12.2
130.05002	100.0
134.06036	23.9
136.07529	8.5
142.04987	11.7
142.60684	6.8
144.06557	6.3
147.04385	6.7
147.07695	13.1
148.07614	9.8
157.06079	12.3
162.05542	15.5
164.07025	6.8
180.06584	7.0
184.06050	6.9
192.06561	11.7
196.99341	6.4
208.05992	56.3
209.09193	10.6
225.08655	67.7
238.07103	8.9
256.08243	10.4
273.10812	81.9
291.11896	43.2
309.13007	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21642	3.1
53.24859	3.6
58.08466	3.5
64.07536	3.2
67.05480	4.2
75.98807	3.3
78.31383	2.8
79.05452	5.3
81.07050	3.8
91.05477	68.5
95.04975	3.8
95.08600	6.9
103.05452	4.5
105.07021	100.0
105.07693	5.7
117.06950	3.8
131.08505	4.9
136.06107	4.1
137.15157	3.5
167.08588	6.0
203.08511	6.3
215.08546	18.8
216.09361	28.5
217.10091	6.9
218.10858	5.7
231.11725	37.9
309.16605	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	309.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40998	6.5
55.05492	10.5
56.96559	9.2
57.07053	15.2
59.80906	7.2
67.05475	21.1
69.07046	22.2
71.04948	8.3
81.07040	30.3
95.08617	11.3
109.10116	9.6
136.06117	11.2
137.09523	9.8
141.94771	9.9
162.76257	11.0
163.34859	11.2
210.36684	8.9
309.16669	100.0
309.24271	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	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.2
57.07053	6.7
57.75080	3.9
65.57761	4.0
68.79894	4.0
69.07056	5.8
71.93672	4.6
73.22485	4.7
93.07059	6.2
105.06988	4.8
115.03932	5.8
137.05991	9.1
138.89661	4.5
168.40378	4.8
171.71857	5.8
193.12328	7.1
197.62770	4.4
214.86809	5.2
219.52484	5.1
249.14665	6.1
309.09100	5.7
309.16647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.88783	3.2
55.05502	11.4
57.03418	7.3
58.30389	3.0
67.05493	57.6
69.03407	4.9
69.07060	59.6
71.04983	4.7
79.05485	25.7
81.06597	5.7
81.07049	66.9
83.04975	15.0
91.05464	34.6
93.07038	43.1
95.04963	14.7
95.08595	55.8
97.06532	9.5
105.07017	40.8
107.04975	7.2
107.08596	23.7
109.06532	20.7
109.10136	20.4
117.07027	6.8
119.08556	15.3
121.06504	9.6
121.10162	17.3
123.08089	6.8
123.11719	6.3
131.08569	11.8
133.10117	15.1
135.11678	9.0
145.10114	11.1
147.08078	4.0
147.11699	10.6
151.11206	23.4
159.11671	7.5
163.11214	10.2
171.11667	4.1
192.17004	3.9
195.13860	8.8
207.13757	25.7
245.19034	13.1
249.68515	4.0
251.16444	5.2
263.20056	86.9
291.19507	12.4
309.20538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01865	16.5
55.05503	37.8
67.05488	48.9
68.00812	14.4
68.85444	14.0
69.07062	15.1
73.79482	14.5
76.50072	15.5
77.76647	14.9
79.05514	20.3
81.07039	100.0
83.08601	28.4
85.43702	15.3
93.07010	33.1
95.04934	28.0
97.10155	35.4
99.60608	15.9
102.06326	16.9
105.07053	23.1
107.08575	31.9
109.10194	22.0
112.42578	14.7
123.08102	25.7
125.09632	27.1
136.06165	19.2
178.86609	16.6
214.60066	19.6
286.05206	19.6
291.19589	59.3
292.97092	21.4
314.96512	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03936	6.8
53.97903	3.7
53.98187	3.4
55.01874	3.8
55.05511	23.6
55.24895	4.3
57.03431	40.5
65.03947	4.3
65.36285	3.9
67.05495	65.0
69.03419	31.8
69.07064	16.3
70.73069	3.6
71.04974	10.9
71.05616	3.8
73.96415	4.2
76.26640	4.4
79.05484	50.4
81.03421	7.5
81.07043	67.5
83.08622	11.0
85.06524	11.0
91.05475	54.2
93.07036	64.3
94.52431	4.6
95.04961	22.2
95.08598	52.3
97.10133	5.7
105.07024	33.0
107.04946	100.0
107.08588	28.6
109.06528	22.2
109.10168	14.9
117.07042	14.3
119.08599	20.2
121.06483	12.1
121.10177	21.2
123.08118	6.7
123.11671	8.0
129.07008	9.6
131.08606	26.7
133.06485	6.2
133.10107	8.0
135.08049	14.4
135.11717	6.4
143.08527	5.6
145.10103	10.0
147.08102	13.6
147.11754	7.5
149.09615	11.1
155.08492	5.5
157.10168	9.7
159.11659	9.2
161.09599	6.6
187.14839	11.7
217.15771	6.3
249.14888	9.8
255.17378	5.6
273.18539	15.6
291.19604	31.9
291.22772	6.4
294.65286	5.3
309.20413	15.1
309.24182	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	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	20.5
57.03429	23.9
57.07062	52.2
67.05482	28.3
69.07052	82.0
81.07051	63.2
85.02892	91.8
93.07043	36.9
95.08582	48.5
98.19936	22.9
105.06976	55.7
107.04867	21.0
107.08539	29.0
109.10147	57.8
110.65802	19.4
119.08560	74.8
121.10143	34.6
126.85972	22.4
131.42909	23.9
133.10135	100.0
136.83299	25.7
143.86618	23.8
147.11700	62.3
161.09656	34.4
181.75256	23.8
192.47125	26.8
193.12241	33.8
207.10168	28.1
209.11758	88.3
221.11664	45.0
277.18002	84.2
309.22290	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	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.8
57.03418	2.8
60.51871	2.0
65.03912	4.5
67.05493	58.2
69.03405	6.2
69.07045	12.1
70.65780	2.3
71.04972	3.8
72.84544	2.4
75.97649	2.3
79.05486	67.1
80.07248	2.2
81.07047	53.8
83.04949	3.8
83.08604	5.5
87.04459	4.7
88.13438	2.3
91.05473	70.6
91.06044	4.9
93.07037	100.0
95.04966	16.3
95.08044	3.1
95.08598	33.1
99.04440	2.7
101.32803	2.8
105.04505	4.1
105.07024	53.5
107.04900	3.5
107.08581	45.9
109.10156	16.0
113.05995	4.9
117.07011	11.0
117.34790	2.4
118.06596	2.6
119.08582	33.7
121.10145	46.1
123.11711	7.0
129.07019	6.4
131.08565	11.7
132.12265	2.8
133.10121	29.9
135.11691	47.6
136.06233	3.6
137.05894	2.4
143.08612	3.2
145.04967	5.2
145.10133	10.4
147.11679	15.4
149.13289	11.9
157.10112	5.3
159.11716	7.0
161.13252	14.4
171.11736	7.2
173.13286	3.7
175.14830	5.9
182.15318	4.0
185.13348	3.5
189.16479	3.3
199.14844	3.2
210.14980	3.9
227.17921	8.4
245.19084	3.2
291.19705	4.0
309.20572	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	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31411	2.1
51.80841	2.0
52.11380	2.3
55.01870	21.6
57.03421	5.8
57.07066	30.0
67.05496	3.3
68.22092	2.1
69.07041	3.4
81.07045	6.8
83.08614	6.1
85.02895	100.0
87.04461	30.4
91.05501	3.7
93.07027	5.5
95.04936	3.7
95.08594	7.2
105.07025	5.8
107.08601	4.0
109.06499	3.6
115.03920	83.6
119.08602	8.7
121.10110	6.2
125.95749	2.5
131.08588	4.6
133.10112	13.8
137.05997	10.3
138.34848	3.0
147.11684	5.6
151.11089	2.8
157.10110	4.3
159.11731	2.5
160.08835	4.9
161.09602	11.3
165.05464	8.5
167.11052	2.8
175.11145	27.1
179.10626	4.9
193.12201	8.7
221.11710	66.9
253.14389	17.1
309.20602	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31685	7.2
55.01868	11.4
55.05486	19.4
57.07064	30.9
57.91769	6.3
60.28305	6.2
60.29911	5.3
67.05484	43.3
69.03408	7.1
69.07057	25.7
73.28439	6.1
79.05474	27.1
81.03386	8.1
81.07040	63.6
83.08588	16.6
85.02895	9.3
86.56573	6.4
87.04443	9.9
87.93452	6.6
91.05470	57.0
93.07037	74.6
95.04942	79.3
95.08599	47.7
97.06528	14.9
105.07014	100.0
107.08571	48.6
109.06514	16.4
109.10159	20.1
115.03938	19.1
117.07021	22.6
119.08566	68.3
121.06522	10.1
121.10116	80.1
123.08065	13.4
128.06264	10.8
129.07028	14.3
131.08537	40.8
133.10126	53.0
135.08070	8.3
135.11708	13.9
137.05960	14.4
141.07024	9.4
142.07744	16.8
143.08575	33.7
145.10120	34.2
147.11707	18.4
155.08601	13.2
156.09438	9.5
157.10121	32.0
159.11711	23.5
161.09715	9.2
169.10155	17.8
171.11710	13.7
175.11195	12.8
187.14828	10.8
193.12230	20.8
221.11655	11.5
268.06149	8.8
281.21091	15.8
292.62836	6.9
293.99011	9.0
309.22043	25.7
328.86646	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65684	16.5
55.05495	31.1
56.35015	18.0
57.07045	18.0
58.33589	23.1
62.84324	18.3
67.05475	58.7
67.86713	21.2
68.40234	16.9
69.07048	46.2
70.43022	17.1
73.47784	18.3
75.03742	25.6
81.07035	70.7
91.05484	56.0
93.07020	81.5
95.04959	85.3
95.08583	62.7
99.87258	25.1
105.07001	100.0
107.04942	56.7
107.08605	84.9
109.06581	22.5
109.10179	54.3
119.08581	54.2
121.10139	58.6
129.40305	20.4
133.10115	34.5
136.06219	28.4
137.05934	30.6
157.10066	30.7
159.11694	25.5
164.66118	23.2
169.10109	26.1
173.13467	25.7
198.86124	22.3
256.99442	23.8
283.39972	26.6
309.21967	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.8
67.05496	100.0
69.07069	44.7
79.05541	16.6
80.41768	13.1
81.07047	67.6
83.89529	14.4
85.57404	13.5
91.71012	17.2
95.08591	50.0
135.11832	16.0
136.06165	20.4
154.84912	13.4
170.81332	19.3
227.59361	15.7
309.24316	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.08495	2.2
50.08767	1.4
53.03913	1.5
55.05504	13.8
57.07056	3.9
60.27497	1.6
65.03906	1.6
67.05490	17.3
67.36889	1.4
69.03402	1.4
69.07051	19.6
69.76267	1.7
71.04966	2.5
71.08620	20.1
74.72461	1.7
79.05481	8.5
81.07047	30.1
83.04991	2.9
83.08584	5.6
91.05452	7.5
93.07030	20.8
95.04971	4.6
95.08597	24.4
97.06507	6.6
97.10139	2.8
97.16904	1.7
99.08067	7.5
105.07021	8.3
107.08585	13.6
109.06516	8.9
109.10140	7.5
111.08055	2.1
119.08557	6.6
121.10124	6.0
123.08028	2.6
133.10129	2.9
135.11670	2.8
141.01807	2.1
147.11589	2.4
149.13219	3.7
153.12720	2.5
161.13200	2.5
163.14944	2.3
165.12735	11.6
193.15846	5.1
235.16945	3.4
280.18536	2.1
291.23154	19.2
309.24203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.05498	29.0
57.07058	15.2
67.05492	21.4
68.67583	7.0
69.07058	31.9
71.08631	22.3
73.05185	7.3
79.05513	10.5
81.07043	71.7
83.04962	9.5
83.08599	21.6
91.05451	13.7
93.07030	31.1
95.08588	43.3
97.06519	11.5
97.10147	14.4
105.07026	10.1
107.08615	15.9
109.10131	24.0
119.08580	11.4
121.21614	8.9
123.08042	10.5
123.11675	11.9
129.68152	9.4
133.70508	8.4
136.06177	17.4
138.40083	8.6
140.00044	8.6
141.40779	9.5
165.12761	10.5
193.15900	9.0
213.59375	10.0
291.23138	13.3
309.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81208	14.7
55.05503	27.5
56.70090	14.2
57.07058	39.7
62.48698	21.3
67.05486	43.5
69.07063	59.0
79.67796	16.7
81.07052	100.0
83.08635	24.6
84.52454	21.9
95.08590	76.9
97.10178	29.0
109.10167	60.0
123.11716	33.5
137.50537	23.2
144.37553	22.9
167.96367	22.5
189.53432	22.1
195.16600	19.4
201.39378	21.8
240.51501	19.9
254.87285	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	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54513	7.3
53.00323	8.5
55.05514	39.6
57.07072	36.5
67.05503	57.0
68.05173	7.8
69.07056	100.0
71.03807	7.2
71.08639	35.7
77.41890	8.2
79.05508	13.5
81.07054	98.0
83.08627	56.1
91.05485	16.6
93.07069	32.8
95.08595	76.6
97.10187	29.2
105.07064	15.4
107.08636	26.7
109.10159	56.6
111.11718	10.8
119.08562	18.8
120.38032	9.1
121.10201	14.3
123.11729	27.6
130.48369	9.3
133.10162	13.0
136.06235	13.7
137.13266	13.4
144.27252	10.8
149.13187	14.5
163.99220	9.7
165.12862	11.2
193.15962	13.8
291.23206	20.1
291.26907	10.6
309.24210	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04507	2.0
70.06577	2.5
72.08155	1.7
76.83572	0.9
80.47851	0.8
84.04480	2.5
84.08128	3.1
86.09696	2.0
91.05448	1.2
91.38713	0.8
106.24538	0.8
109.01091	1.9
121.01067	2.5
125.76340	0.9
129.10236	1.8
134.06030	2.2
135.02596	1.6
146.05986	2.4
149.00555	5.4
149.55577	1.0
150.03680	6.0
158.05957	1.4
159.06769	2.6
162.03712	14.9
163.02036	1.2
178.03206	100.0
179.03897	1.8
190.03194	9.1
191.03923	1.1
192.04736	8.4
206.02699	31.9
207.05841	6.4
208.04265	15.3
218.02737	2.0
219.05737	1.1
231.05862	3.3
236.03738	13.7
245.04854	1.2
247.05264	5.6
253.06407	4.1
264.08023	2.1
293.05881	26.5
293.09338	2.1
310.08496	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1471
Annotation	SB 218655
Peak:m/z	Relative Intensity
56.96549	7.1
69.07059	7.5
70.02938	6.1
70.06590	12.2
72.08125	6.7
73.45964	5.8
78.05824	5.5
83.04949	13.2
83.30103	5.4
84.04520	10.4
86.09689	6.9
88.03977	55.1
88.24302	6.0
91.05463	15.0
93.07047	8.3
105.07024	34.9
107.08591	16.3
111.02661	6.5
116.19290	6.0
119.08576	17.3
125.04250	7.7
133.10120	10.3
136.06184	7.3
136.07495	6.4
137.04208	32.4
139.05797	34.3
145.10214	7.2
147.11714	28.1
159.11687	11.0
161.09538	6.3
161.13242	14.9
167.05263	6.2
169.70490	7.7
179.08858	7.3
181.10371	8.8
182.70192	6.2
187.11249	7.5
189.12686	31.6
191.14384	6.9
212.07367	12.2
221.09991	14.6
223.11530	33.0
226.08943	7.6
251.11006	6.2
310.14810	100.0
314.09863	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	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05493	4.8
56.50049	1.1
57.07043	4.8
57.97551	1.4
69.07044	6.0
71.08617	2.0
72.04507	100.0
81.07027	2.0
83.08614	3.4
90.66313	1.4
97.10136	2.5
108.06853	1.5
109.10161	1.7
114.09177	7.5
128.10742	3.9
130.94739	1.5
135.23315	1.6
142.12300	2.8
168.29495	1.8
221.83926	1.7
304.22617	1.8
310.31018	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.07061	4.6
57.84749	0.8
58.31996	0.8
58.74209	0.9
63.02349	0.9
68.46800	0.9
70.06578	1.9
71.08652	1.0
72.08146	35.7
98.06032	1.3
128.10725	2.0
142.12263	1.6
186.88426	1.2
291.37524	1.1
310.31009	100.0
311.31601	1.4
318.48947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.4
77.73040	2.3
84.04496	3.5
91.71082	2.7
106.17490	2.1
107.82720	2.1
120.53531	2.1
127.03935	3.5
130.04968	2.6
137.05963	4.8
311.07327	100.0
316.80914	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65734	2.4
56.09894	2.4
57.24048	2.5
59.69692	2.5
59.86850	3.0
68.03748	5.7
69.08527	2.4
70.06580	2.9
71.92835	2.8
86.09700	3.5
109.06406	10.2
110.07203	3.3
113.04226	5.8
120.05617	5.9
123.04417	8.8
131.64095	2.8
133.20491	3.1
135.06676	15.9
145.67979	3.3
203.09425	3.9
205.05469	7.5
207.07054	5.0
217.05429	3.4
221.04987	4.2
228.34422	3.3
233.05000	10.3
234.05714	35.2
235.06403	14.9
236.07253	15.3
247.02841	4.5
261.04382	6.0
261.90125	3.1
262.05133	27.1
267.09106	58.9
273.99088	3.3
293.07001	100.0
311.08084	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	311.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33582	1.5
67.40469	1.6
82.47147	1.6
83.58710	1.7
91.05473	6.9
103.05458	1.7
116.53403	1.9
117.93982	1.5
119.04910	3.9
130.06522	100.0
137.05971	32.5
147.37273	1.8
156.11519	2.4
158.06003	42.7
198.21967	1.7
241.50989	1.9
258.09201	1.7
270.68872	1.8
294.11166	6.0
311.14014	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
61.05445	4.4
61.96742	5.0
63.74574	4.7
70.06585	100.0
72.08152	7.2
74.07087	4.7
78.68394	5.2
84.04512	8.3
84.08136	12.3
86.09686	5.0
91.71102	6.4
107.04951	24.4
113.04218	18.9
113.57438	5.9
120.40784	5.0
123.04427	22.9
123.46367	5.9
134.06065	6.1
135.04428	14.0
147.04419	7.2
152.07077	26.6
160.09685	98.7
173.06343	17.9
187.19475	5.6
201.81694	5.2
220.03102	6.2
248.41493	5.9
283.71863	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06078	0.6
53.03932	1.3
55.36226	0.6
56.96554	0.7
57.07060	1.1
63.11858	0.8
67.05482	0.9
75.69831	0.8
91.05473	12.9
93.07042	7.7
95.04968	7.6
95.08606	0.9
121.06506	15.2
136.65041	0.9
145.43051	0.9
149.05975	100.0
150.06238	0.8
166.08675	1.1
190.08669	1.8
209.11646	1.8
237.11186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44463	0.7
56.66481	0.6
58.81507	0.6
59.58625	0.7
63.73479	0.6
69.07072	0.8
79.05470	2.7
91.05473	36.5
95.04954	1.7
103.05453	2.8
105.07024	100.0
115.05437	4.3
119.08587	1.0
128.06232	1.2
129.06979	2.1
131.08571	1.1
133.30890	0.8
143.08569	2.3
165.75920	0.8
166.07797	0.8
167.08536	4.0
173.52863	0.8
178.07756	1.5
179.08578	1.0
181.10208	2.3
190.07819	1.1
191.08556	1.0
193.10046	4.9
203.08821	1.2
204.09328	2.8
205.10127	10.3
207.11691	1.5
219.11671	4.0
233.13310	4.5
260.23962	0.8
288.77298	0.8
311.17996	1.0
328.83237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51758	1.7
53.68643	1.5
56.37479	1.7
57.07081	1.9
61.70269	2.1
62.15705	1.4
65.98651	1.5
76.72903	1.6
77.54585	1.6
79.05479	1.8
81.07080	2.3
83.04910	1.6
83.08632	1.8
91.05470	33.6
95.08628	2.4
103.05444	4.6
105.07022	100.0
108.36381	1.8
109.10209	2.3
115.05473	3.7
117.83039	1.7
143.08650	2.0
178.07791	2.9
181.10161	2.0
193.10172	4.9
204.09404	2.9
205.10115	7.8
219.11816	3.3
233.13220	4.2
290.39877	2.1
311.24210	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50245	0.6
57.07067	1.0
58.78956	0.6
69.07046	0.7
79.05489	1.8
81.07077	0.8
83.29214	0.6
91.05470	33.1
95.04970	1.7
103.05476	3.0
105.07023	100.0
106.07353	0.9
115.05450	3.9
129.07016	2.3
131.08524	0.8
143.08536	2.4
155.08572	0.8
167.08516	3.8
178.07768	1.1
181.10132	2.9
191.08585	1.2
193.10123	4.6
204.09421	3.1
205.10071	9.0
206.10896	0.7
207.11678	2.0
209.11786	1.0
219.11726	3.2
233.13240	4.5
249.81314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.185
Annotation	3-O-Ethyllactarolide A
Peak:m/z	Relative Intensity
55.01870	23.4
57.07077	24.7
67.05525	9.3
69.07074	21.5
81.07062	19.1
83.04998	11.7
84.01176	6.7
93.07061	10.3
95.08611	12.9
97.06558	7.3
101.02409	11.3
106.93396	7.1
111.04472	21.4
120.81104	6.4
121.10168	16.1
139.11218	23.9
139.58707	9.0
167.10677	62.5
177.35265	7.1
209.11824	22.9
265.17944	74.3
293.17429	100.0
311.18549	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	13(S)-HpOTrE
Peak:m/z	Relative Intensity
55.05497	33.1
57.03431	14.9
57.07063	26.6
57.63033	8.3
67.05501	100.0
69.07050	37.9
72.86650	9.5
79.05464	26.2
81.07039	98.7
83.08617	40.2
91.05460	14.9
93.07014	36.8
95.04978	10.2
95.08591	70.1
97.10170	26.0
105.59488	9.2
107.08584	26.2
107.40793	8.5
108.47728	9.6
109.10171	38.7
117.72379	9.1
119.08569	13.1
121.10146	20.6
123.11682	36.7
135.11685	14.3
137.13188	10.6
209.11816	15.2
265.21759	13.1
311.22302	21.7
311.25897	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Sterebin A
Peak:m/z	Relative Intensity
54.93254	11.5
55.05493	27.1
57.40604	11.9
67.05489	100.0
69.07049	20.2
71.70189	13.1
72.99633	12.6
79.05480	24.9
81.07047	85.0
91.05466	41.0
93.07026	39.1
95.08589	66.7
107.08555	14.0
109.10144	39.6
112.90804	12.7
124.77127	12.5
128.46744	13.3
133.10141	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	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.00287	3.1
55.01852	4.3
55.05508	19.4
56.96552	10.2
57.03419	4.1
57.07059	7.8
67.05497	37.3
68.93954	2.7
69.07056	34.3
71.04990	5.8
71.07355	3.3
71.93839	3.3
77.19609	3.0
79.05483	18.4
80.44563	2.8
81.07043	34.7
83.04980	8.4
83.08599	7.7
86.09694	8.5
91.05458	27.0
93.07047	31.0
95.04961	13.6
95.08612	26.7
97.10152	6.1
104.10749	7.5
105.07026	25.6
107.04938	11.1
107.08582	19.9
109.06500	11.2
109.10151	10.4
117.07043	6.3
119.08588	15.4
121.06491	10.5
121.10147	12.3
123.08009	4.0
123.92145	3.7
125.00024	9.6
128.17209	3.2
131.08559	16.2
133.10101	19.8
135.08023	3.8
135.11740	6.6
137.09662	4.3
138.19653	3.9
143.08556	3.9
145.10138	10.2
147.11676	11.4
148.81677	3.2
149.09610	4.9
151.11162	5.4
155.08531	4.2
159.08105	3.7
159.11688	8.0
162.25856	3.3
163.11147	3.4
169.23299	3.8
173.13214	5.8
184.07324	12.1
198.43913	3.4
209.11630	8.6
237.11172	6.7
239.17903	4.0
240.10013	6.7
247.20604	4.4
257.19073	11.4
266.74817	4.1
275.20062	100.0
293.21124	50.7
311.07776	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48823	11.4
55.05495	23.5
57.11535	10.8
57.65848	10.6
64.91598	13.5
67.05476	51.7
69.07059	74.2
78.04247	12.8
79.05490	30.2
79.48907	13.7
81.07051	35.3
91.05476	36.1
93.07040	100.0
95.04980	69.1
95.08607	96.4
95.10389	14.5
97.06528	28.9
105.07032	75.2
107.08598	65.1
109.06575	14.9
109.10152	35.9
119.08570	74.8
119.15146	15.4
121.06503	21.5
121.10154	61.0
123.08069	22.3
128.31294	13.8
131.08530	25.9
133.10143	48.1
145.10213	21.0
157.10129	17.0
159.11720	54.4
161.13329	15.3
209.11810	25.6
218.46805	16.9
225.39120	15.7
251.31015	15.5
256.12708	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	311.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48823	11.4
55.05495	23.5
57.11535	10.8
57.65848	10.6
64.91598	13.5
67.05476	51.7
69.07059	74.2
78.04247	12.8
79.05490	30.2
79.48907	13.7
81.07051	35.3
91.05476	36.1
93.07040	100.0
95.04980	69.1
95.08607	96.4
95.10389	14.5
97.06528	28.9
105.07032	75.2
107.08598	65.1
109.06575	14.9
109.10152	35.9
119.08570	74.8
119.15146	15.4
121.06503	21.5
121.10154	61.0
123.08069	22.3
128.31294	13.8
131.08530	25.9
133.10143	48.1
145.10213	21.0
157.10129	17.0
159.11720	54.4
161.13329	15.3
209.11810	25.6
218.46805	16.9
225.39120	15.7
251.31015	15.5
256.12708	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00301	4.0
53.79508	3.5
55.05255	6.6
55.05505	86.9
57.03431	32.1
57.07071	39.8
58.47733	3.6
65.39651	4.0
67.05486	16.9
69.07063	85.9
71.08619	20.5
79.05487	6.6
81.07053	18.8
83.08614	72.6
85.10159	4.7
89.52743	5.3
91.05452	5.4
93.07024	11.7
94.97200	4.6
95.08604	16.9
97.10163	43.4
102.04371	4.5
107.08626	7.4
109.10149	9.8
111.11722	9.7
114.87108	5.6
121.10143	15.4
123.11715	5.7
132.98914	4.9
161.45662	5.3
168.13045	5.0
220.93936	4.8
250.04976	6.1
265.66724	5.4
311.25766	100.0
331.14847	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	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	48.8
57.07068	100.0
65.48709	13.6
66.79005	14.4
69.07053	85.9
71.01384	19.6
71.08622	55.6
81.07061	25.7
83.08601	46.3
84.14037	14.0
85.10166	39.4
93.07064	14.5
95.08591	45.2
95.89450	19.1
97.10178	33.8
107.08632	25.7
109.10211	24.3
311.25488	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	311.892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75690	3.2
53.42459	3.2
56.88507	3.6
65.30537	2.9
70.50569	3.6
94.93008	50.8
111.67132	3.7
112.89614	37.5
139.45052	3.8
139.91458	45.1
206.88637	6.6
208.97308	9.1
210.94037	100.0
210.97150	10.2
217.35185	4.5
248.89610	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	312.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68866	4.8
56.96564	6.9
58.06585	6.6
70.06578	15.5
74.21432	6.1
79.05482	15.7
81.07049	100.0
84.04491	30.4
84.08120	15.1
91.05483	47.8
93.07046	36.4
95.04955	19.8
109.06509	84.5
111.05576	11.5
119.04959	35.0
130.05000	26.5
137.05981	92.2
165.05478	93.2
180.99286	7.8
196.49059	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	312.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.9
70.06574	6.9
71.90813	2.6
79.05481	10.2
81.07048	92.9
84.04493	14.3
84.08139	5.1
86.09715	6.3
91.05466	41.2
93.07036	36.1
95.04966	12.8
102.05553	3.8
103.65684	3.1
104.84097	3.3
109.06521	87.7
110.94776	2.7
119.04932	37.3
120.08128	5.0
121.06522	5.7
130.04999	23.9
137.05975	89.5
147.04391	4.5
152.05661	3.3
165.05461	100.0
220.22520	3.2
318.31876	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	312.1588
Annotation	Manibacanine
Peak:m/z	Relative Intensity
50.60392	1.3
56.39946	0.7
57.04498	0.6
71.94591	0.8
74.89350	0.7
76.15623	0.7
92.12941	0.9
98.49648	0.8
111.77824	0.8
121.06478	3.3
130.06487	1.2
133.38014	0.8
144.08081	1.0
150.71394	0.8
159.10413	65.4
160.11186	1.0
172.11163	2.0
266.15356	100.0
267.15833	1.9
312.15866	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03495	14.2
55.05504	18.9
55.97644	14.3
67.05503	24.6
81.07040	26.5
88.07484	15.1
93.07019	41.2
94.12897	15.6
97.06524	32.5
107.08596	27.6
109.49131	17.8
117.68803	18.9
120.52258	18.2
149.13255	68.0
184.16985	54.2
266.21170	75.5
271.06049	58.7
287.97543	21.9
294.20578	100.0
298.39633	20.1
310.44598	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	312.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81558	2.5
59.97973	2.9
67.25365	2.5
91.58060	3.7
93.07085	3.3
93.43978	3.1
97.93828	3.5
107.04962	5.6
132.15205	3.7
139.80557	3.6
141.35350	3.3
150.05949	3.3
225.11008	3.9
312.25058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.68192	1.1
53.20851	1.1
57.07069	9.6
61.01871	1.3
61.58288	1.2
62.18304	1.3
71.08604	2.7
72.04489	6.0
73.42138	1.7
91.71656	4.2
102.09174	2.1
103.78739	1.5
116.10725	3.7
180.68535	1.6
222.64900	1.8
312.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.59747	1.2
57.07067	17.7
69.07048	3.3
71.02445	1.4
71.08604	5.7
72.04478	1.7
74.06051	5.4
74.09705	2.9
76.85410	1.4
88.07616	12.7
102.09190	7.7
116.10684	2.2
122.95211	1.6
140.40067	1.4
162.13586	1.5
215.37997	1.6
256.26312	33.8
297.28799	2.1
312.32556	100.0
312.87152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.18681	0.6
57.07067	8.2
58.96051	0.6
69.07066	1.1
71.08610	2.8
72.04501	3.4
85.10172	1.3
88.07612	1.3
91.71011	1.7
100.07629	0.9
102.09165	4.7
116.10728	6.5
130.12283	2.7
144.13905	1.1
312.32574	100.0
313.32822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1181
Annotation	Dictyoquinazol A
Peak:m/z	Relative Intensity
70.06577	14.1
71.16273	3.1
72.08136	3.2
75.30388	2.8
82.19646	2.7
84.08118	5.5
86.09691	9.1
91.71084	3.7
109.06456	2.9
129.10141	3.7
134.44127	3.0
135.04379	3.8
148.63441	3.2
198.33395	3.2
206.22061	3.4
206.40326	3.1
238.08533	4.6
250.92464	3.5
253.06003	5.3
263.53287	4.0
296.09088	7.5
313.08224	9.4
313.11743	100.0
313.15405	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	313.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74100	2.0
56.96552	2.8
61.01136	6.9
70.06580	2.5
70.89789	1.7
72.04501	8.2
75.15289	1.8
78.03779	15.1
91.05449	2.3
92.98065	2.1
95.04956	11.9
102.03751	29.8
103.02110	2.0
109.14041	2.0
118.66093	2.1
120.04832	2.3
123.04414	70.8
131.06389	14.7
132.04770	13.4
149.07430	100.0
163.23970	2.3
165.05458	13.7
269.94235	2.7
313.12021	3.4
335.31784	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	313.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82583	8.5
55.05490	25.2
55.88846	7.9
57.07063	16.1
60.32931	7.8
61.83058	7.9
67.05488	42.4
67.61713	8.6
69.07051	19.1
71.08613	12.4
79.05493	64.2
81.07050	50.2
91.05476	58.7
93.07034	100.0
95.04967	20.7
95.08623	50.1
101.36430	9.7
105.07028	32.9
107.04952	10.8
107.08569	58.1
108.11926	9.8
109.06534	20.6
109.10158	15.0
119.08614	20.0
119.86330	8.8
121.10151	48.9
123.04442	23.1
131.08612	10.1
133.10158	10.7
135.11670	36.3
137.05977	11.1
145.10083	10.8
149.13260	19.7
171.11668	9.8
237.16295	10.6
313.21527	41.8
313.27206	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19510	3.5
51.50901	3.1
55.05502	10.2
57.03431	23.1
57.07071	81.4
62.51099	4.0
67.05489	16.5
69.07060	16.2
71.08624	48.9
81.07041	26.1
83.08611	13.9
85.10174	21.8
95.08609	30.8
97.10141	8.0
98.06036	4.3
109.10167	10.6
123.11655	7.3
127.38519	5.3
152.48428	5.0
164.98735	4.5
166.78093	4.9
188.76883	5.3
189.98174	5.0
207.95862	4.6
304.10364	5.3
313.27325	100.0
313.32971	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	6.4
53.99800	2.4
55.05486	12.4
56.67702	2.2
57.03214	2.2
57.03429	30.4
57.07068	97.3
67.05492	20.6
69.07054	16.2
71.08246	4.6
71.08622	65.6
81.07047	24.2
83.08611	20.5
85.10178	31.5
89.06017	5.2
93.07056	2.7
95.08593	33.6
97.10149	9.8
109.10125	16.5
110.15967	2.6
121.52834	2.8
123.11671	6.9
151.30077	3.3
199.57635	2.7
209.71733	3.7
239.23706	3.7
298.27438	5.3
310.77655	3.1
313.27344	100.0
337.62137	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01020	10.4
55.05482	16.6
57.03416	38.7
57.07071	87.3
67.05491	23.1
69.07050	26.8
71.08607	43.9
72.73170	12.0
81.07045	37.0
83.08591	24.0
85.10173	29.5
95.08582	46.5
109.10161	21.6
137.10872	14.9
138.78610	11.7
153.18378	13.3
156.33305	12.6
177.77197	12.9
191.84894	13.3
225.55527	12.8
288.96292	15.3
313.27338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	7.6
55.05495	14.6
57.03437	29.9
57.06805	4.4
57.07071	79.9
60.87617	3.3
63.34158	3.4
67.05498	15.8
69.07055	14.1
71.08627	54.6
80.19261	3.9
81.07056	19.7
83.08616	16.2
85.10164	27.1
95.08611	28.7
109.10162	13.0
117.35532	3.7
123.11714	6.1
213.99826	4.4
238.69539	4.1
313.27319	100.0
313.36954	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69952	6.0
55.05506	12.8
57.03416	21.1
57.07067	72.8
67.05483	20.4
69.07051	12.0
71.08624	55.6
81.07053	23.9
83.08600	13.5
85.10179	20.5
91.71650	16.3
95.08612	20.5
109.10175	11.6
111.80164	8.4
136.11894	8.0
197.60657	7.5
244.06830	8.6
262.67227	9.6
313.27249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01125	0.9
63.62056	0.8
65.12125	0.9
69.03410	2.6
69.86920	0.8
70.06602	5.0
72.08158	1.5
84.04512	2.1
85.86108	0.9
90.00658	0.7
91.05477	2.6
97.02884	40.3
103.05435	0.8
114.02445	0.8
114.42625	0.8
115.08694	1.2
119.04919	0.9
121.06514	4.0
136.06184	100.0
137.05966	8.7
143.01631	2.2
164.05656	4.0
164.06969	1.5
166.08644	2.9
170.84186	0.9
177.65596	0.9
178.07239	1.6
178.08649	1.2
252.96924	1.1
296.07996	1.5
296.11288	1.1
297.09402	1.1
314.09094	4.9
314.12387	2.6
314.18234	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Erythrinine
Peak:m/z	Relative Intensity
52.30677	6.3
52.60692	5.7
62.41626	7.7
72.31375	7.1
86.09711	9.8
91.05475	36.2
91.36626	7.1
91.97507	6.6
107.04957	90.6
117.70547	7.9
119.04953	29.8
121.06495	28.6
131.07239	10.8
132.08093	15.9
134.07661	7.6
145.05280	15.0
156.08148	9.9
160.07574	14.6
163.87903	8.6
202.08652	8.3
210.09067	10.5
211.09935	22.4
222.06786	10.7
234.09167	13.9
235.10088	20.1
236.10719	27.1
239.09424	33.8
250.12294	23.3
250.36855	8.4
252.10150	8.3
268.13287	67.7
278.11749	22.3
296.12793	100.0
310.06155	9.8
314.13632	11.4
314.17288	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	314.1749
Annotation	Colchiethanamine
Peak:m/z	Relative Intensity
50.72896	1.4
72.14019	1.4
87.40845	1.7
91.05463	4.2
93.07059	4.2
95.04964	1.9
95.17032	1.6
103.05455	2.9
106.06544	4.7
106.68942	1.7
107.04948	32.5
107.07339	10.0
118.06506	2.6
120.08091	6.3
121.06496	34.3
127.73200	2.4
132.08096	2.0
146.09662	7.8
148.11183	3.9
159.02217	1.8
159.10423	2.1
161.11975	12.1
174.12747	15.1
213.11644	2.1
223.89944	1.8
268.16931	100.0
269.17401	2.8
314.17441	27.6
326.56479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.6
57.07063	12.1
58.06577	2.2
62.06065	4.5
70.06582	1.9
71.08594	4.7
71.94390	1.2
76.41969	1.3
81.19331	1.4
101.56527	1.2
154.75908	1.6
156.17429	2.0
174.18530	6.2
184.20656	2.3
202.21680	6.1
248.12819	1.4
314.34143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97070	80.4
61.60717	87.2
66.05626	78.6
143.80025	91.5
172.94305	93.2
187.11212	97.7
270.16370	87.8
279.05957	91.9
310.69968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	3.2
58.49974	3.2
67.05499	3.5
70.06587	21.6
72.08150	8.2
73.27163	3.3
81.77308	3.3
82.06619	4.0
84.04524	9.9
84.08167	9.1
86.09747	10.8
90.48526	3.2
102.05595	3.5
109.06605	4.2
116.07076	3.6
124.35216	3.2
129.10266	5.1
129.90605	3.9
137.05986	4.4
137.92014	3.4
151.70363	3.3
179.08690	5.4
207.08046	19.2
209.07213	10.8
235.07521	7.1
237.06601	37.5
242.08162	9.0
252.10237	14.4
255.07802	9.5
256.08405	51.5
265.06036	100.0
297.08765	27.2
298.10596	5.5
315.08276	59.1
315.13309	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	315.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26196	11.5
56.05007	9.5
56.96552	14.4
58.94239	11.3
61.41451	10.7
61.69068	8.6
65.87939	9.4
70.06586	72.4
72.08148	17.7
73.69862	10.8
80.05006	18.2
84.04503	18.2
84.08118	29.1
86.09703	71.3
90.93300	10.9
92.45670	11.2
110.06024	67.1
110.07175	18.2
110.16029	11.6
120.08107	14.0
129.10242	17.9
136.03900	18.4
146.05940	14.5
199.08658	35.4
209.07167	26.2
210.05577	13.5
216.02985	24.8
223.05077	16.5
227.08061	100.0
237.06485	54.2
238.07414	20.3
239.08235	34.7
254.06754	18.3
255.07632	79.7
265.06100	45.4
278.51773	12.8
282.06482	13.2
283.07126	76.3
297.08743	26.4
315.09695	43.4
315.13266	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	315.0975
Annotation	Hydroxynybomycin
Peak:m/z	Relative Intensity
56.96552	13.3
61.01151	7.3
70.06572	27.5
70.59660	5.6
70.82219	5.6
72.08144	12.4
74.58324	6.3
77.72889	6.3
84.04477	15.7
84.08139	15.4
86.09682	26.6
91.05476	7.0
91.97215	7.6
96.57945	6.4
122.05990	10.8
151.24501	6.7
152.91205	8.0
158.01343	8.0
197.06021	8.7
200.00302	7.8
203.12802	9.0
227.90717	7.4
237.06558	35.9
270.07663	17.7
297.08746	58.5
315.09763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51287	3.6
56.96555	4.4
69.07023	7.4
70.06573	30.0
72.08154	5.8
82.62998	5.0
84.04491	8.6
84.08129	15.4
86.09688	14.6
116.07075	8.4
153.25165	4.4
179.08597	8.0
207.08063	17.8
209.07077	11.4
235.07558	5.9
237.06598	39.8
252.10155	14.8
255.07669	15.5
256.08420	53.1
265.06052	100.0
279.93600	6.1
290.71982	5.5
297.08487	31.5
297.11774	9.2
315.08313	78.8
315.13269	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	315.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.8
57.07067	6.3
62.74178	6.0
68.67422	6.5
69.07033	11.0
70.33463	6.2
91.71024	11.9
98.97552	10.1
105.03429	9.1
107.04880	7.6
110.98112	6.5
142.07698	7.2
149.06003	37.8
153.51085	6.9
238.32251	8.1
315.12054	100.0
320.31384	8.6
329.50708	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	315.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05451	4.0
50.35131	4.3
78.54314	4.5
79.98209	5.0
91.05490	7.7
91.71050	5.2
92.73759	4.4
93.07018	6.4
98.97580	6.8
114.89325	5.5
116.98677	7.9
121.06447	8.7
123.15858	5.8
140.00223	6.3
158.01207	5.8
172.04462	5.2
195.07280	5.1
217.96304	6.0
250.70949	5.9
314.97464	11.0
315.08255	10.3
315.11987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1336
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
63.74025	3.5
73.43761	3.7
79.05501	6.3
81.07093	5.8
86.09708	4.8
91.01775	3.6
91.05487	11.3
92.06273	7.2
94.06596	7.8
95.04982	4.6
97.95840	3.8
104.05025	14.0
106.06586	5.8
118.06581	10.2
119.07404	9.0
120.08156	6.4
122.06074	10.9
124.07650	15.2
138.05486	4.6
146.05986	7.4
147.06824	12.3
148.36993	4.7
150.05544	7.7
152.07111	5.1
158.09618	4.2
164.07086	7.4
166.08698	6.1
168.06523	26.2
180.06627	17.9
192.06537	50.4
194.08191	12.2
213.10297	11.8
227.11951	12.6
241.09648	37.7
255.11443	11.1
273.12317	6.7
287.13971	9.0
299.10275	4.5
300.11081	21.6
315.13342	100.0
324.51556	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	315.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	8.3
61.95929	4.0
64.83575	3.1
67.05505	4.0
69.07060	7.7
69.32201	4.0
70.06568	22.5
70.10550	4.3
72.08126	8.2
77.49982	3.6
84.04498	4.7
84.08150	10.7
86.09702	20.2
91.05439	6.7
91.70905	4.8
94.06538	9.3
106.06570	8.5
107.04889	4.1
118.06540	7.5
122.72946	4.4
129.10233	7.6
134.05997	47.8
136.07567	67.5
138.20740	4.7
141.07025	3.9
146.06000	55.3
152.07114	10.1
164.07053	100.0
189.18466	4.5
197.05995	5.1
209.07230	6.1
237.06595	20.7
269.57965	4.3
270.07687	13.0
297.08679	35.2
297.12332	13.5
315.09769	40.1
315.13443	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	315.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
56.96562	1.6
59.44516	1.1
61.48067	1.0
62.03082	1.0
67.05170	2.1
67.05498	23.5
69.07047	2.6
69.87293	1.1
70.02948	24.3
70.06579	2.2
70.39497	1.1
74.02423	3.8
79.05509	1.5
80.47046	1.2
81.07043	13.5
84.08133	2.3
86.09707	3.3
87.05585	24.7
88.03985	6.8
91.05479	2.1
93.07043	4.4
95.04963	5.7
95.08608	9.5
100.25665	1.5
107.08580	2.9
109.10155	51.7
119.08556	2.0
121.10139	2.0
125.05964	3.2
125.60487	1.3
125.71928	1.4
126.05518	4.5
133.06096	14.7
134.99577	1.3
136.67592	1.5
137.09619	100.0
155.10698	4.9
158.01334	1.4
165.09097	74.1
181.02849	2.4
183.10207	2.9
184.14880	1.6
201.11206	2.0
206.11838	2.6
234.11261	3.5
252.12279	18.0
270.13300	2.3
270.84296	1.5
279.13492	5.0
280.11743	3.8
298.12909	3.1
315.15518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24402	2.5
58.06593	94.4
66.35265	2.9
66.78369	2.7
70.06599	4.2
80.58141	2.9
88.20827	3.1
90.79403	3.1
91.05448	6.0
93.07027	9.1
96.17878	3.6
96.31096	3.1
103.05463	6.0
104.04981	4.6
105.07017	3.3
106.06558	6.5
107.04954	45.8
115.05488	5.4
117.05766	9.2
118.06551	10.7
119.04921	6.5
119.07326	6.5
120.08083	5.3
121.06510	37.2
130.06566	8.5
131.04919	4.6
132.08095	44.4
133.06531	9.9
142.06541	5.6
143.07289	22.6
144.08110	4.6
146.06052	13.2
146.09662	10.8
148.07567	4.9
156.08070	32.0
160.07613	15.9
160.11238	8.9
174.09166	21.2
207.08096	6.2
208.08881	19.2
226.12245	100.0
226.14421	6.3
235.09882	6.6
250.12259	89.4
254.11746	21.7
254.15340	44.8
261.30075	4.7
268.13293	66.5
271.18021	91.8
279.14816	7.4
297.16016	41.6
315.16992	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	315.17
Annotation	Gigantamide A
Peak:m/z	Relative Intensity
56.05028	61.9
56.05307	3.0
61.71595	1.0
68.28889	1.3
73.37263	1.1
79.05489	2.0
87.01482	1.3
88.43494	1.2
88.73234	1.2
91.05450	7.0
93.07049	10.2
95.04972	4.4
96.45444	1.3
102.05535	100.0
103.05424	7.5
105.07014	2.7
107.04944	11.2
108.93815	1.6
117.05766	2.6
118.06535	12.7
120.08097	13.7
120.18033	1.5
121.05609	2.9
121.06497	60.0
129.07016	3.8
130.06522	1.8
130.60246	1.2
131.07298	5.0
132.08075	11.4
133.02620	1.5
133.08859	28.7
134.09665	4.3
135.08054	1.6
146.09641	42.9
147.08026	1.5
182.86330	1.6
213.51302	1.4
214.12201	1.9
214.14220	1.5
240.13812	79.2
315.16998	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	315.174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50453	0.8
61.60305	0.9
65.03925	1.6
71.08649	1.0
71.40443	0.9
91.05473	39.8
91.06046	2.1
91.70904	1.6
106.38392	1.1
112.70721	1.1
115.05460	3.7
117.07011	100.0
127.76831	1.0
153.24246	1.0
159.93333	1.0
267.31110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2316
Annotation	CAY10429
Peak:m/z	Relative Intensity
55.05493	16.3
57.07060	6.2
65.03940	4.3
67.05495	100.0
69.07057	14.2
72.23605	4.0
78.57544	4.6
79.05482	23.2
81.07048	96.4
91.05486	26.8
93.07030	44.4
93.83388	4.5
95.04980	7.8
95.08608	92.9
102.75904	4.3
105.07033	32.6
107.08610	27.4
109.06568	6.5
109.10160	45.4
117.07023	14.3
119.08585	17.7
121.06493	5.8
121.10146	15.0
123.04455	7.9
123.11718	22.0
131.08574	21.0
133.10121	12.2
135.08102	6.4
135.11688	15.6
137.05972	7.3
137.09616	6.3
137.13167	7.4
143.08565	12.3
144.24757	5.2
145.10109	16.0
147.11694	11.7
149.13292	12.1
151.07544	5.2
157.10155	8.8
159.08075	7.1
159.11725	17.9
159.65236	5.0
161.13281	8.8
169.10231	5.7
171.11729	13.6
173.13242	5.6
175.14951	7.7
185.13290	9.4
229.51526	5.6
241.19366	7.2
252.06804	5.7
297.22119	12.6
315.23151	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	315.2316
Annotation	Cardol triene
Peak:m/z	Relative Intensity
50.72964	4.3
53.24950	4.5
55.05505	14.3
55.79280	4.3
56.99974	4.4
57.07049	18.6
57.41167	4.8
59.85479	4.7
64.11214	5.3
67.05483	18.5
68.85918	4.9
69.07056	97.6
72.50336	4.6
76.07609	5.3
79.05473	11.9
79.61095	5.5
81.07034	16.4
83.08607	15.6
90.52149	4.9
91.70998	11.8
93.07034	31.5
95.08589	9.8
105.07019	15.2
107.08582	17.8
110.68237	5.2
117.49515	5.4
119.08611	6.2
121.10121	6.8
123.11711	7.9
131.08571	7.9
143.08551	11.0
149.13206	12.3
202.71138	7.4
219.58769	6.5
253.05226	7.5
269.14822	6.8
312.97159	6.4
315.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1177
Annotation	Hippeastrine
Peak:m/z	Relative Intensity
53.06168	2.1
53.20271	2.1
55.05527	2.7
60.51240	2.1
60.77221	2.2
60.96267	2.6
70.06563	2.6
81.07040	2.8
88.07638	4.1
91.05451	4.9
93.07050	2.8
95.04997	2.9
96.33459	2.4
103.05459	4.3
107.04943	65.9
108.13599	2.9
116.98679	2.5
118.06555	4.8
121.06530	12.3
127.92242	2.6
130.06508	25.9
137.04720	3.3
146.05995	12.2
154.08615	2.3
158.06004	21.7
161.83821	2.5
192.06444	3.6
195.08920	3.1
204.06573	3.1
207.08084	5.7
224.10692	7.7
231.62747	3.3
234.09108	11.4
237.05547	3.4
237.07776	15.9
252.10159	100.0
270.11157	5.0
298.10730	31.4
305.93991	3.1
316.15332	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	316.1219
Annotation	Alachlor ESA
Peak:m/z	Relative Intensity
54.09585	6.5
56.96560	38.8
65.43870	5.8
78.67279	5.9
97.64351	6.4
185.91805	8.4
185.93742	6.5
206.04996	8.2
247.05173	13.7
275.09509	15.2
293.10596	28.8
298.11243	8.5
316.12155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96523	4.6
63.84490	5.0
70.06576	9.0
70.43987	3.7
74.19279	4.4
81.07028	7.6
83.74259	5.0
85.76853	5.6
86.91292	5.2
91.05468	37.2
104.24015	4.8
105.07071	5.3
106.72082	4.8
107.04971	5.1
109.79184	4.9
118.42715	4.9
119.04934	21.2
121.06508	5.1
125.18960	5.3
137.05978	100.0
144.06609	6.7
145.10262	6.8
151.07527	10.5
167.97043	5.2
168.10158	6.6
178.08621	14.0
179.07115	8.6
208.41307	5.1
225.60037	5.1
298.12869	66.2
301.10760	6.2
316.13922	43.3
316.22733	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	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88209	31.8
61.50623	38.5
61.86011	35.1
67.21922	32.3
73.77567	47.2
75.05484	36.6
82.04408	39.2
83.26534	41.6
91.05468	63.4
120.55573	39.9
137.05968	100.0
181.02725	39.7
195.51259	42.7
215.98608	53.9
254.48647	48.7
329.32162	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41273	0.6
69.03397	2.2
77.29235	0.7
81.03406	1.3
85.02901	3.1
108.08111	17.8
109.02864	0.8
115.28533	0.8
136.07570	17.4
137.72656	0.7
154.08623	100.0
175.25658	0.8
282.22589	0.8
316.13785	1.1
321.35471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04573	1.0
54.24808	1.2
57.11296	1.2
57.63819	1.2
58.06585	2.1
69.03416	3.4
70.02940	1.2
70.06589	7.4
72.04470	1.8
72.08143	3.0
75.22635	1.2
81.03422	2.1
84.04498	1.8
84.08137	6.2
85.02895	5.6
86.09690	1.9
91.05474	29.2
95.06064	2.2
97.02905	3.7
109.06496	1.8
119.04935	14.6
129.10214	1.4
130.87190	1.3
137.05977	100.0
144.06567	2.0
154.08630	10.4
162.07617	2.8
164.07071	4.8
165.07469	2.4
178.08676	3.9
191.48456	1.5
280.11819	3.1
298.12848	26.6
316.13840	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	316.1542
Annotation	Robustimine
Peak:m/z	Relative Intensity
54.82465	1.0
89.75373	1.2
90.05340	1.2
91.05458	12.6
93.07034	14.2
94.72070	1.2
95.04990	5.4
103.05454	9.7
104.22693	1.3
106.06563	3.2
107.04948	61.1
107.07314	15.0
117.07052	2.1
119.07346	4.8
121.06499	100.0
130.06540	4.7
131.07375	1.5
132.08138	5.4
133.01947	1.5
133.08862	2.1
143.07240	8.9
144.08112	6.2
145.08867	3.6
146.09708	2.4
158.09639	46.2
160.11206	1.4
176.10754	4.1
179.08650	1.7
182.07381	1.4
204.10275	1.9
213.11557	6.3
224.10760	3.5
238.12373	4.3
242.58763	1.4
252.13814	35.5
257.80072	1.5
270.14871	24.0
270.17575	1.8
280.13501	5.3
298.14349	22.5
298.17444	2.1
316.15396	35.7
316.18771	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	316.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63202	2.8
56.96558	3.5
58.82012	2.7
60.04500	3.2
60.73135	2.6
61.85736	2.5
64.43083	2.8
64.70583	2.6
67.05494	3.6
81.07013	3.9
87.04456	10.6
91.05474	22.3
93.07047	17.7
95.04985	4.8
102.09160	3.4
103.05443	6.5
105.07036	9.2
106.06520	3.8
107.04943	15.1
118.06525	16.9
121.06503	71.0
130.06525	9.1
132.08121	9.3
134.16232	3.1
134.30243	3.2
144.08084	9.0
193.08820	3.5
196.11322	3.8
198.63861	4.0
208.11253	14.2
209.12012	11.5
222.12711	19.4
316.16965	100.0
316.20413	6.3
316.28433	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	316.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69367	1.1
55.05497	4.6
59.46313	0.9
61.44828	0.9
63.85284	1.2
63.95170	1.1
70.06579	4.5
72.08144	100.0
81.07135	1.0
84.04490	2.9
84.08118	2.5
85.12994	1.1
86.06031	2.1
86.09695	7.3
96.08060	1.4
102.05569	1.6
104.07095	3.2
107.20444	1.2
114.05508	2.1
120.08070	1.6
147.81749	1.2
149.18307	1.3
151.07602	2.0
154.08569	1.5
158.01253	1.5
164.07079	1.4
201.17911	1.2
203.13904	6.0
213.12352	4.6
316.14615	1.8
319.15009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42892	3.9
55.82732	3.8
57.07055	9.6
60.04506	4.5
61.23321	3.9
67.05500	7.4
69.93058	4.1
70.06569	12.3
87.04454	100.0
88.07604	11.7
98.97614	6.5
102.09171	11.2
107.66071	5.7
110.86126	5.0
123.23268	5.2
126.62897	5.9
164.14743	5.2
168.13660	5.4
175.60086	5.0
185.70020	5.2
209.98013	5.1
230.24919	6.7
250.05614	6.1
256.26257	32.0
316.28406	61.2
316.97241	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	316.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42804	1.4
52.77354	1.4
56.96523	1.5
57.07062	21.5
70.06577	21.5
71.08616	12.2
78.71975	1.8
79.77284	2.4
81.07015	2.2
82.06069	1.6
83.27499	1.5
85.10162	5.1
87.77036	1.6
88.07110	2.5
88.07615	38.0
106.08652	46.0
129.97752	1.8
151.50813	1.9
182.56219	1.8
316.32056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	13.7
67.73119	1.3
70.06582	21.6
71.08617	6.2
77.21503	1.7
79.18019	1.4
83.15530	1.5
83.62210	1.4
85.10167	2.2
88.07613	28.2
95.01720	1.6
102.09190	4.7
106.08656	14.2
298.31027	4.1
316.32043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86203	4.0
54.46483	4.3
55.41473	4.1
55.44351	4.2
56.96550	5.2
59.37662	4.9
65.09600	4.6
65.59773	4.0
69.07037	5.4
70.06584	44.7
72.08146	21.5
74.28857	4.4
84.04527	13.6
84.08129	58.4
85.02883	4.8
86.09699	100.0
87.05557	6.6
121.06508	16.8
129.10233	21.2
132.10228	12.7
133.06096	20.3
137.05978	8.6
140.07074	5.7
147.11314	6.9
152.07085	6.9
157.13327	25.9
166.08728	10.4
185.12885	9.4
189.79935	5.4
312.66653	5.4
317.06384	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	317.1358
Annotation	Combrestatin A4
Peak:m/z	Relative Intensity
56.96529	4.0
88.34661	3.4
131.83331	3.4
248.74533	3.7
253.27954	4.1
309.52975	4.2
317.13577	100.0
317.17148	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	317.1358
Annotation	Combrestatin A4
Peak:m/z	Relative Intensity
52.17575	2.7
52.33569	3.4
54.40908	3.3
62.72795	2.8
68.13863	2.8
68.82769	3.3
80.58817	3.1
81.07058	6.9
87.04469	5.7
95.08633	6.0
101.06007	3.1
109.10166	7.0
110.15394	3.3
119.08595	4.5
137.09674	6.1
138.80154	4.4
144.72545	4.1
148.53961	4.1
177.05482	9.5
215.16789	3.9
221.57002	3.9
288.89182	4.3
316.11938	4.3
317.13580	100.0
317.17123	6.6
317.21106	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	317.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	15.2
57.03424	55.2
67.05490	61.8
69.03422	17.8
69.07048	12.4
70.06583	23.2
75.04491	10.3
79.05494	14.4
81.07044	43.0
84.08136	19.3
86.09689	72.9
87.04442	27.7
91.05465	100.0
93.07040	17.6
95.04964	19.1
101.35313	11.7
103.03937	34.8
105.07032	33.4
107.08580	19.4
115.03931	14.5
133.10129	76.2
136.07555	21.6
137.05968	15.1
151.11221	37.4
161.09666	13.5
162.96732	11.6
169.12190	26.2
179.10631	33.6
196.56505	12.2
197.11696	19.7
243.11229	24.0
265.57401	11.9
271.10788	37.2
273.12372	12.7
302.11795	13.4
317.11566	18.8
317.15387	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	317.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.9
56.05019	7.3
56.23561	5.9
57.03417	8.4
58.82271	7.1
65.18056	6.5
66.90958	6.2
67.05492	33.4
67.89647	6.8
70.06585	26.7
71.59000	6.1
72.08131	16.6
81.07043	18.9
84.04496	96.1
84.08133	11.8
85.02882	7.8
86.09718	13.7
93.07037	9.4
96.33936	7.4
97.06528	15.9
99.08076	15.9
107.08580	29.6
109.10141	100.0
116.18890	8.0
124.11203	9.7
134.09718	8.4
135.08015	10.0
152.10701	32.0
170.11720	44.6
188.12801	96.7
208.13380	9.8
242.21227	9.9
254.13843	16.6
300.14334	26.6
317.17166	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.88836	14.1
55.01855	30.6
55.05500	62.6
65.00946	13.0
67.05486	57.9
79.05489	34.2
79.83661	13.9
81.07052	58.3
83.04990	26.1
83.08611	40.8
84.28561	17.9
90.41241	18.3
91.05492	92.0
91.71016	35.7
93.07037	72.9
95.04977	31.0
95.08594	27.8
105.07039	71.4
106.58764	19.4
107.08592	38.3
109.10155	19.6
117.06991	42.2
117.97751	16.6
119.08571	37.2
121.10175	20.7
129.06987	47.4
131.08583	100.0
133.10156	18.1
139.11230	23.8
145.10104	25.7
147.11639	17.6
147.66177	18.2
149.09602	25.2
159.11671	29.7
163.11116	18.7
169.10139	29.9
169.51888	18.1
171.11649	20.3
173.09703	18.8
215.14262	37.4
273.60855	18.9
281.18933	48.8
292.96228	18.8
299.20099	47.9
317.21234	30.5
317.24756	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05516	21.2
57.07076	30.3
58.75085	10.8
59.05027	14.0
66.71919	10.4
67.05496	99.7
67.45436	9.6
69.03403	9.8
69.07082	40.8
79.05499	22.6
81.07047	77.4
87.04464	19.6
91.05505	40.7
93.07066	44.1
95.04981	48.5
95.08627	43.9
105.07063	40.1
107.08646	45.8
109.06565	45.3
109.10146	100.0
117.07063	16.5
119.08562	83.7
121.10144	24.9
123.08093	23.3
131.08629	21.3
133.10175	24.5
135.08127	16.8
137.09641	58.2
147.08075	13.3
147.11736	17.0
149.09650	32.0
151.07547	62.1
175.11140	14.3
187.14806	12.4
189.12805	35.2
192.52345	12.3
207.13860	20.3
215.46410	13.6
282.99512	13.4
299.20206	18.0
317.21030	70.3
317.24652	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	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01878	29.3
55.05518	30.6
56.96558	16.5
57.03438	10.6
57.07080	23.8
58.18856	11.9
60.04530	12.1
63.56686	11.2
67.05516	38.4
67.13824	11.8
69.07089	43.9
79.05507	46.5
81.07042	100.0
83.04996	22.2
84.57315	11.0
89.51222	12.3
91.05479	68.7
93.07039	36.7
95.04987	22.6
95.08634	42.1
97.06536	36.8
99.65942	11.5
105.07030	83.1
107.04967	47.6
107.08629	15.8
109.06495	16.8
109.10123	17.9
117.07034	36.8
119.08607	35.2
121.06575	17.2
121.10176	14.0
123.11728	14.1
128.06204	18.2
129.07065	44.7
131.08611	58.2
133.10164	30.2
137.09676	20.1
141.06987	22.7
143.08614	17.0
145.10149	39.5
147.11804	16.2
149.09666	25.1
164.23973	12.7
165.12605	14.8
169.10132	17.1
185.13280	17.2
199.57436	14.1
289.83014	16.3
299.20013	22.4
302.29727	14.4
317.21198	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.50856	4.7
55.01860	13.5
55.05505	16.2
58.22119	4.4
59.91734	5.2
67.05493	46.9
69.07046	13.5
71.04980	11.8
71.08624	5.8
79.05489	53.3
81.07052	95.0
83.04986	9.0
85.06541	18.0
91.05474	93.7
93.07030	72.6
95.04953	17.5
95.08614	39.5
97.06518	17.9
103.05471	9.8
105.07030	100.0
107.08610	33.4
109.06523	21.9
109.10176	9.7
115.05447	11.6
117.07016	50.7
119.08570	55.2
121.06519	14.2
121.10194	8.0
123.08057	22.1
128.06339	5.4
129.07024	28.4
131.08563	46.5
133.06471	37.0
133.10127	36.3
135.08073	20.1
141.07063	10.0
143.08575	13.2
145.06494	23.0
145.10144	20.0
147.08061	43.2
147.11638	14.6
151.11217	20.2
155.08560	19.2
157.10100	21.0
159.08075	35.0
159.11696	12.3
161.09628	14.1
169.10130	16.5
171.11607	13.4
173.09628	14.2
173.13315	16.8
175.11235	18.2
177.12839	17.6
183.11722	22.0
187.11150	12.7
189.12856	6.4
197.13315	15.5
201.12637	6.2
203.14441	11.5
215.14360	50.2
225.12766	11.6
239.17938	6.9
281.19113	15.9
299.20013	35.3
317.21112	89.4
333.84183	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03934	6.9
54.81077	4.2
55.01859	19.3
55.05492	16.0
56.49824	4.2
57.03397	5.9
57.07069	5.9
67.05493	64.7
69.07050	23.8
71.04964	10.2
71.70896	3.7
72.45700	4.2
79.05490	75.9
80.53753	3.9
81.07045	56.7
83.04943	10.2
83.08593	5.0
85.06496	5.4
85.35459	3.8
88.07622	7.3
91.05470	100.0
93.07032	86.5
93.07566	4.1
95.04951	29.1
95.08594	41.6
97.06506	14.6
103.05470	9.3
105.07032	92.9
106.08647	7.5
107.04947	15.5
107.08573	52.6
109.06519	9.7
109.10137	17.9
111.08131	6.2
115.05483	10.8
117.07023	38.2
118.06522	6.3
119.08563	40.0
121.06516	19.8
121.10148	25.5
123.08076	13.4
128.06245	11.2
129.06996	31.5
131.08554	60.0
133.06476	13.8
133.10127	34.4
135.08093	9.9
135.11685	5.5
141.06996	17.0
142.07802	5.9
143.08556	23.4
145.06477	12.2
145.10124	22.4
147.08029	12.6
147.11691	14.8
149.09593	21.4
151.11107	5.8
151.73524	4.7
154.07797	5.3
155.08531	24.5
157.10110	16.6
158.53879	4.5
159.08087	15.0
159.11659	17.1
161.09560	9.2
161.13263	9.8
163.11156	6.0
165.06989	5.6
167.08540	5.8
169.10130	15.7
171.11670	37.3
173.09683	8.1
173.13251	10.8
175.11128	9.2
183.11713	13.4
187.11179	7.4
187.14751	24.1
189.12767	16.8
195.11612	5.9
197.13252	20.3
199.11176	4.4
201.12700	6.0
203.14288	4.7
211.14783	6.0
213.12766	5.6
215.14249	28.3
253.19443	7.4
263.17990	6.8
281.18982	17.3
299.20065	16.8
316.32068	11.7
317.21152	20.3
317.32306	11.2
323.06210	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	317.2473
Annotation	Urushiol III
Peak:m/z	Relative Intensity
55.05512	17.0
57.07073	13.7
60.19216	6.9
62.28932	6.2
67.05518	12.5
69.02195	7.4
69.07082	21.0
69.91560	7.6
70.22561	7.1
71.08616	8.4
79.05511	9.3
81.07075	24.4
83.08639	19.2
89.08543	8.2
91.05502	12.0
93.07082	16.7
95.08590	93.9
97.10190	9.7
99.93897	8.0
105.07043	11.2
107.08586	16.8
107.35715	7.3
111.40695	7.9
114.89313	10.0
119.08669	8.3
131.08589	12.2
135.11845	7.7
145.10185	33.8
149.06020	10.8
166.66167	9.7
317.24731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96700	3.6
55.05498	13.1
57.07064	18.9
64.35535	3.8
67.05492	15.9
69.07059	22.8
71.08613	8.4
78.68285	4.0
79.05482	7.5
81.07045	12.5
83.08612	15.2
91.05478	7.0
91.71097	6.1
93.07053	16.2
95.08599	73.1
97.02933	4.7
97.10159	13.5
105.07019	17.1
107.08602	7.2
107.45030	4.0
109.10152	12.2
111.11729	4.4
117.07008	5.6
119.08582	5.4
123.11706	7.6
131.08588	6.8
133.10092	5.8
135.11685	6.3
145.06424	6.6
145.10138	18.6
149.06052	5.3
159.11778	7.3
160.36230	4.4
163.07465	5.4
173.09634	10.6
191.10747	5.6
213.16563	5.5
241.61867	4.5
257.56250	5.3
257.79361	4.5
303.77365	4.9
317.24725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.6
57.07082	14.5
66.97781	10.9
67.05479	38.6
69.07060	33.1
72.41064	12.5
81.07037	39.8
82.91073	10.3
83.08582	10.9
91.05464	17.5
93.07031	37.9
95.08598	70.9
105.07015	44.3
107.08566	75.2
109.10154	72.0
119.08572	50.8
121.10145	70.6
123.11739	20.8
133.10147	26.4
133.11314	13.1
135.11684	31.0
137.09596	18.5
139.21799	12.3
145.10139	36.1
147.11710	37.5
149.02661	14.9
149.13242	15.3
159.11652	18.4
161.13243	22.5
163.14838	37.7
169.12180	16.9
173.13290	36.8
187.14926	22.9
201.16301	31.8
215.65666	12.6
257.22653	100.0
267.21213	18.1
285.22180	35.2
317.24652	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	317.2473
Annotation	Pregnenolone
Peak:m/z	Relative Intensity
51.08339	2.2
55.05502	20.0
57.07077	15.3
58.37136	2.5
67.05491	15.0
69.01174	2.4
69.07056	21.5
71.08611	10.6
75.50706	2.6
75.96201	2.7
79.05474	8.3
81.07052	18.7
83.08598	13.1
91.05453	13.3
93.07054	19.6
95.04970	4.1
95.08600	87.2
97.02885	4.8
97.10160	13.1
105.07025	19.8
105.07597	2.9
107.08566	14.9
109.10152	20.3
109.35677	2.7
111.11703	3.3
115.05500	2.6
117.07014	10.8
119.08560	11.3
121.06507	7.2
121.07566	2.5
121.10136	5.9
123.11670	10.1
124.07634	2.6
131.08582	15.3
133.06487	4.2
133.10156	7.9
137.13216	6.1
145.06520	5.4
145.10071	16.0
147.11673	5.7
149.06046	3.7
149.13287	3.2
153.69676	3.1
159.08044	4.8
159.11703	6.5
160.24284	3.4
163.07533	4.4
173.09653	7.0
187.14857	5.0
191.10632	9.3
272.80554	3.7
317.24725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20417	9.6
55.05499	22.0
55.63732	11.0
67.05488	45.4
69.07048	43.2
79.05484	31.8
81.07056	83.7
91.05465	40.3
93.07034	82.6
95.04982	14.8
95.08584	100.0
97.10159	16.2
99.08060	12.3
105.07035	74.6
107.08585	91.3
109.10143	81.8
111.08202	12.6
119.08557	64.7
121.10135	73.9
123.11752	13.9
131.08522	18.2
133.10127	26.3
135.11708	65.3
145.10150	32.9
147.11670	57.3
149.13228	38.1
159.11696	33.5
161.13252	42.4
163.14821	16.9
173.13242	24.1
175.14825	23.1
187.14815	14.5
201.16397	33.5
203.17937	36.3
215.18105	16.9
243.21123	34.6
257.22577	70.5
258.28036	11.5
285.21994	52.8
294.97000	13.0
317.24631	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	18.9
60.45029	9.9
66.90590	11.5
67.05499	43.1
69.07055	30.5
79.05489	10.8
81.07025	37.2
84.85315	10.8
89.21556	11.1
91.05479	27.6
93.07037	73.6
95.08606	56.9
97.58668	11.5
105.02840	11.1
105.07011	35.3
105.36195	13.3
107.08582	57.1
109.10172	100.0
119.08591	35.7
121.10141	48.0
133.10147	26.3
135.11707	31.2
141.95911	14.0
145.10123	16.9
147.11714	36.4
159.11728	36.7
161.13255	18.0
173.13188	21.8
175.14815	17.6
187.14876	20.1
189.16354	14.9
190.39047	11.2
201.16518	36.1
203.18065	14.5
250.42093	12.7
257.22598	60.1
285.22028	19.7
317.24786	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13459	7.9
57.03434	24.3
57.07068	7.8
67.05510	21.9
69.07076	11.2
71.08613	9.6
79.05499	16.7
80.81668	6.8
85.06557	23.9
91.05483	21.0
93.07092	12.1
95.04996	28.3
95.08617	13.0
98.83858	7.8
104.88940	7.5
105.07082	20.8
107.08649	13.6
113.06003	100.0
119.08618	20.6
119.36197	8.9
120.87548	10.2
133.10165	13.0
143.58328	8.3
189.16386	27.4
244.61462	8.9
270.30692	10.4
317.24628	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	317.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55461	3.7
50.76901	4.1
53.03918	3.9
55.01862	8.3
55.05508	26.4
57.03423	7.7
57.07062	8.2
58.73661	4.1
59.18932	4.2
67.05490	34.8
69.07064	23.1
71.08599	6.7
74.69608	4.4
79.05475	25.7
81.07043	67.3
83.04972	9.5
91.05470	100.0
91.71088	10.0
93.07045	31.8
93.78778	5.1
95.04972	4.9
95.08611	28.5
95.70412	4.3
98.23350	4.8
99.08110	6.9
105.07012	68.6
107.04927	7.6
107.08593	18.5
109.10143	11.8
110.70863	4.9
117.07006	28.7
119.08565	64.5
121.10168	10.1
123.08011	6.7
129.06998	8.8
131.08563	16.9
133.06468	7.7
133.10150	30.9
135.11691	6.0
145.10127	11.8
147.08035	5.7
147.11690	9.2
157.10164	7.6
159.11650	12.4
168.96280	4.9
173.13255	7.2
175.14804	61.1
227.18008	5.8
247.06720	5.8
269.22745	5.4
299.23514	9.4
317.21216	6.3
317.24689	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	317.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23688	3.3
53.08364	3.4
55.01867	5.0
55.05505	22.6
56.96572	4.8
57.03450	4.8
57.07069	7.1
65.61482	3.5
67.05495	39.7
69.07073	19.7
79.05487	24.8
81.07047	81.4
83.04989	7.8
83.08616	5.6
91.05476	100.0
91.06026	7.5
93.07030	42.4
95.04972	5.7
95.08592	32.4
99.08114	6.4
105.07018	66.2
107.05007	5.4
107.08611	14.0
108.60979	4.3
109.06583	4.8
109.10139	9.1
117.07040	18.6
119.08575	58.5
121.10178	10.9
125.09622	5.9
129.07042	10.3
131.08620	20.8
133.06500	9.5
133.10117	22.8
137.04991	3.7
137.09653	5.5
141.07008	7.5
143.08554	8.4
145.10196	13.8
147.08098	6.1
147.11740	7.8
155.08559	5.1
157.10214	8.5
159.11726	9.2
163.14818	5.6
171.11783	7.9
175.14822	72.5
201.16397	9.6
218.96463	5.5
249.80966	4.9
269.22809	5.9
299.23682	8.6
317.24625	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07629	2.1
50.47662	1.6
55.01863	3.5
56.05027	2.6
56.96543	2.1
57.03417	3.7
57.46829	1.7
61.02913	6.7
65.64668	2.2
69.03418	23.3
70.06587	14.3
71.04980	8.1
72.08129	2.1
81.03393	8.9
83.01347	2.7
84.04494	2.8
84.08127	4.8
85.02894	100.0
86.09695	4.4
87.04475	3.1
91.03932	3.7
91.05464	5.0
93.04053	2.5
93.07027	6.4
97.02887	20.1
99.04438	4.5
109.02874	6.5
121.06501	69.3
127.03907	19.5
130.05098	3.2
134.26244	2.0
136.07594	3.2
139.26495	2.1
145.04938	22.1
159.07993	2.5
163.06064	5.2
187.07541	10.3
203.18930	2.4
204.08888	2.6
205.08609	7.4
229.08635	3.3
265.10764	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	318.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.8
57.07053	0.9
60.04492	0.7
67.05512	0.9
70.06585	2.4
79.05477	4.6
81.07037	1.8
85.08222	0.9
88.07607	1.9
90.35829	0.9
91.05444	2.2
91.51549	0.8
93.07032	1.2
95.04966	2.8
102.09180	2.4
103.05467	5.9
105.07024	100.0
120.08080	2.3
121.06515	7.0
126.35863	0.9
132.08102	1.5
146.09654	2.9
224.14297	1.7
256.26273	3.1
318.18491	16.6
318.24094	2.0
318.29947	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	318.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38778	0.4
55.01881	0.3
70.06571	1.8
72.08130	1.6
74.21326	0.4
81.07071	0.5
84.08175	0.5
85.02875	0.6
86.09702	1.1
91.05466	1.4
93.07022	1.0
95.08594	0.8
101.55831	0.4
105.07026	1.2
107.04946	2.0
107.08657	0.4
115.05417	0.6
120.08073	0.5
121.10132	1.4
122.32915	0.4
123.04398	0.7
131.04811	0.4
137.05997	2.2
145.90871	0.4
146.05986	1.1
147.04422	1.2
147.11700	0.7
149.04776	0.6
149.05920	1.0
161.05975	0.8
164.07054	100.0
189.08987	0.7
227.10616	0.5
301.11533	0.4
302.71527	0.5
315.19138	0.5
318.20587	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	318.2789
Annotation	L 657398
Peak:m/z	Relative Intensity
57.07067	0.8
63.66788	0.6
65.03922	2.1
66.43665	0.7
71.08632	1.2
91.05472	100.0
91.71018	0.8
92.35831	1.0
184.43092	0.9
208.85846	0.8
251.53394	1.1
270.48837	0.9
296.06732	1.0
318.27820	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	318.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87254	0.4
52.76240	0.6
53.00288	0.7
56.96550	0.4
57.06808	0.7
57.07069	12.6
58.06577	0.8
67.05466	0.5
68.05014	0.8
69.07040	0.7
69.82257	0.3
70.06584	26.7
70.22341	0.4
71.08322	0.4
71.08627	5.5
81.07046	0.4
84.08137	2.6
85.10158	1.5
86.06059	0.5
86.09682	1.1
88.07622	25.6
102.09183	2.0
106.08656	3.8
110.10664	0.4
114.09176	7.8
118.08648	1.9
121.25842	0.5
130.08601	0.5
132.10201	30.8
150.11249	22.5
150.36017	0.4
242.24757	1.3
248.66974	0.5
256.26279	1.5
274.27374	6.0
318.29996	100.0
319.30273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
51.00640	1.5
57.07071	13.8
58.06567	3.1
67.58038	1.8
68.25520	1.7
70.06583	22.5
71.08601	2.4
75.61404	1.9
88.07625	36.1
88.63177	2.1
91.33305	2.0
102.09167	19.3
129.86560	2.0
168.95943	2.6
256.26297	48.6
300.28741	3.2
318.29987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	12.7
58.06606	1.9
67.13072	2.0
70.06583	28.5
71.08617	5.3
83.08394	2.2
85.10164	2.1
88.07618	28.2
88.41916	2.3
94.38060	1.8
102.09167	18.8
102.83970	2.6
113.60554	2.3
180.49474	2.0
215.46700	2.1
256.26315	41.3
270.72568	2.4
300.28809	2.7
318.29996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
53.82965	2.1
55.05510	3.8
56.05023	14.1
57.07065	6.9
57.71496	2.2
58.06587	2.6
60.04515	100.0
67.05476	5.7
69.07045	3.9
71.08608	3.6
74.06078	6.4
86.05985	2.5
88.07613	20.1
95.08609	2.9
118.08627	3.3
120.92549	2.6
135.56305	2.6
154.77644	2.6
173.25343	2.8
248.65883	2.8
257.58646	3.0
270.27805	14.7
282.27914	9.9
283.13715	3.2
296.95966	2.8
300.29010	11.3
318.30017	57.6
335.65991	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30505	7.4
52.96962	7.7
53.41074	7.4
65.03956	15.5
66.27152	7.5
67.05501	13.4
70.06570	46.4
72.08161	19.3
80.90264	9.3
81.07076	9.7
84.08153	8.6
86.09721	15.1
91.05497	12.7
92.05003	15.3
92.49474	8.1
94.06588	9.0
94.97579	8.3
106.24289	10.1
120.03749	8.4
120.04502	39.8
120.08102	9.2
122.06041	17.1
136.07541	76.4
148.03957	27.3
163.39972	9.9
164.07071	16.7
166.05006	19.4
227.11839	20.0
255.11290	100.0
283.10809	26.6
301.11719	53.4
323.90985	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	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	3.3
58.06588	2.8
59.69867	2.6
59.91050	2.6
61.50546	2.8
61.50904	3.7
65.03922	17.1
65.04216	3.3
65.39799	2.8
67.05488	16.9
69.07050	4.9
70.01453	2.8
70.06599	17.5
72.08141	15.8
76.18643	3.2
77.13956	3.1
81.07057	3.9
84.08154	4.4
86.09717	5.0
90.26807	3.6
91.05477	39.3
92.05002	43.5
95.04966	6.7
100.24610	3.3
106.02939	6.1
107.04952	6.9
118.67986	4.2
119.04945	15.3
120.04440	25.8
132.04539	3.7
137.05969	100.0
138.05478	24.6
163.03828	4.4
166.05064	6.3
182.08310	3.7
210.09105	5.1
242.08130	5.4
255.11172	6.0
256.09589	21.0
273.12402	8.9
284.09103	6.5
301.11707	5.3
302.10208	65.6
319.12787	12.5
332.12238	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	319.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04520	23.5
56.96555	21.8
57.03416	60.9
60.33413	18.8
67.05495	57.0
67.98590	23.1
71.04980	52.5
78.93553	20.3
79.05492	30.3
81.07014	22.6
86.09706	33.6
91.05479	23.4
93.07042	37.6
97.06506	23.5
98.97581	29.1
107.04987	25.5
107.08597	47.3
120.08096	45.6
135.11681	56.0
137.05986	49.6
140.00139	30.4
150.70370	28.0
152.01573	26.3
171.13803	100.0
200.02292	37.7
220.09671	42.2
280.18744	26.8
282.79834	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	319.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02830	6.3
50.18772	5.8
55.05512	6.9
58.96862	6.3
67.05486	25.2
69.03399	10.4
69.07054	45.5
70.06582	48.9
72.08149	18.8
81.07040	15.7
84.04498	92.3
84.08138	9.1
85.02889	16.4
86.09694	18.0
90.29134	7.8
91.05460	12.6
93.07037	10.9
95.08587	48.9
102.05568	14.0
107.04982	12.4
108.61092	8.4
109.10159	100.0
112.82935	7.2
117.04351	8.4
120.08051	9.5
130.04999	24.2
137.09608	30.4
146.06149	10.4
154.12254	30.4
155.10663	11.7
172.13318	62.2
190.07970	8.2
190.14369	75.7
239.36650	10.3
251.05261	8.9
301.17520	96.0
302.15802	19.8
319.13083	17.9
319.18744	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	319.2264
Annotation	CAY10410
Peak:m/z	Relative Intensity
56.96549	19.8
67.05494	54.5
69.07056	25.6
79.05456	32.8
81.07037	69.8
83.08607	26.0
91.05481	66.0
93.07050	74.7
93.77029	19.2
95.04957	34.5
95.08631	46.3
105.07027	44.1
107.08594	45.1
108.06225	18.7
117.06982	22.0
119.08575	27.6
121.10119	21.0
123.11720	19.0
127.52547	22.8
131.08548	37.0
133.10139	21.9
135.08101	33.9
136.98070	25.9
189.12703	25.0
257.26685	23.4
292.83173	24.9
301.21484	29.4
303.89178	26.7
319.22562	100.0
319.30435	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	319.2266
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
67.05488	32.0
69.07027	27.3
71.08617	32.0
79.05455	22.4
81.07038	35.4
83.04999	24.9
84.65965	15.8
91.05500	34.1
95.08596	59.5
104.85559	17.3
105.07032	22.7
107.08582	23.5
109.10123	18.5
113.61684	14.8
116.22013	17.1
119.08591	28.9
119.81477	16.1
121.10126	17.9
122.16582	17.4
123.08027	21.1
129.07013	16.3
135.08070	60.7
143.08516	19.0
147.73784	15.6
158.95369	17.6
161.09521	22.4
169.43707	15.6
189.12624	23.2
196.85275	15.9
209.63275	19.6
216.51576	15.8
229.97708	19.0
239.05936	19.6
259.20596	21.0
259.28403	19.6
273.22086	52.0
292.18735	17.7
294.82974	17.7
301.21603	100.0
319.22620	29.2
319.30673	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	319.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56718	3.9
52.90097	4.0
55.05510	12.9
56.46255	4.6
57.07082	10.4
67.05495	88.1
67.05827	5.7
68.96407	4.2
69.07080	17.5
69.08088	3.9
71.08624	5.0
79.05479	9.4
80.22771	4.8
81.07045	100.0
81.07478	9.4
83.08622	9.0
83.30518	4.1
85.10140	4.5
91.05470	8.0
93.07063	13.1
93.62428	4.7
95.08601	93.7
104.99306	7.7
105.07069	5.5
107.08641	9.4
109.10174	46.3
121.10178	9.7
123.11763	18.4
135.11740	8.4
137.13335	5.6
175.14870	9.3
291.01071	5.7
301.29077	14.1
319.30011	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.2
56.05022	6.1
56.96567	6.7
57.03428	5.3
61.02921	4.5
64.83785	3.0
69.03420	13.6
70.06589	6.8
71.66052	3.0
78.05875	3.4
79.68861	3.6
81.03398	14.1
81.29675	3.1
84.04491	6.0
84.08143	4.8
85.02895	46.8
85.56359	3.7
86.06803	3.5
86.09697	7.2
87.26975	3.3
97.02885	12.3
98.97588	5.1
106.56910	3.5
109.02876	94.8
110.07180	5.4
116.07029	4.0
127.03900	4.3
137.05943	4.3
140.00221	4.3
141.05464	100.0
145.04950	7.7
150.05518	8.8
193.42879	4.5
248.28711	4.1
256.10968	10.1
293.58847	4.2
321.11047	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	320.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25737	0.5
58.12396	0.5
70.06582	100.0
71.06919	0.8
72.08153	1.3
82.19914	0.5
84.04462	0.8
84.08141	0.7
86.09718	0.8
91.71610	0.6
107.04928	0.8
110.07165	0.6
116.07082	0.7
120.08127	0.5
124.60345	0.5
127.08694	0.8
156.21783	0.6
164.07051	0.7
320.18591	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	320.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	14.2
72.08160	10.2
81.07060	8.8
84.08170	8.4
86.09689	25.6
91.05466	22.3
98.97585	41.9
103.50723	7.7
109.06543	8.9
109.10124	41.9
116.98629	34.5
119.04890	15.3
120.08097	8.4
123.04419	9.6
128.98636	9.4
133.10435	7.7
134.99675	10.2
137.05992	51.4
140.00208	31.7
142.08748	9.1
152.00198	14.3
158.01234	19.0
158.99684	15.5
164.07100	55.7
170.99626	10.0
177.00844	10.3
181.02859	20.2
189.00648	21.2
194.08109	15.9
200.02211	44.2
212.02373	13.6
230.03459	16.9
246.14987	14.1
279.03806	12.2
280.50269	8.3
315.01309	9.3
320.06436	10.3
320.18585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	5.9
58.06594	40.2
58.09865	2.6
65.03941	4.3
69.07064	4.5
72.72652	3.5
80.94818	3.6
84.40958	3.3
86.89687	4.1
91.05472	100.0
91.71018	3.9
100.45312	3.2
103.34430	4.4
104.20158	3.3
108.11135	3.5
132.64227	3.6
134.99625	3.5
200.02322	5.2
228.23239	19.4
320.29446	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35963	12.6
56.96320	22.1
56.96553	100.0
68.44271	15.6
88.95048	17.1
91.05484	40.9
93.07017	20.0
133.10136	15.4
136.47389	16.3
145.10149	15.1
198.10860	16.8
245.24736	17.1
300.05499	17.2
303.12784	37.5
321.13831	22.8
344.15421	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1543
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.05513	6.1
56.46520	1.5
57.03427	2.0
66.41302	1.3
67.05497	19.5
69.03430	2.6
69.07076	3.4
70.06583	40.1
70.06939	2.8
71.04996	4.1
71.06923	10.3
74.03829	1.5
81.03398	1.9
81.07045	2.6
84.04532	1.8
84.08164	1.6
85.02921	5.4
85.06546	3.6
86.09707	3.8
93.07063	5.8
95.08596	100.0
99.04461	3.8
104.41428	1.5
123.08056	49.0
141.09099	54.4
141.10172	3.4
187.81972	1.7
195.49257	1.9
267.55588	1.8
332.28070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46246	1.4
58.06577	2.1
59.52492	1.5
69.07063	1.9
69.70718	1.3
70.43132	1.7
91.05453	5.8
93.45477	1.8
119.97760	1.7
127.34676	2.1
193.03171	1.9
220.14790	1.8
282.00180	2.0
321.16708	100.0
322.17169	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64350	2.6
55.01862	4.8
55.05485	3.4
57.03429	17.3
62.56157	2.8
65.63602	2.6
67.05495	9.1
69.07072	3.1
79.05481	11.3
81.07040	10.7
86.09702	100.0
91.05466	21.3
91.71048	5.0
93.07034	11.1
95.04980	7.1
95.08601	8.6
103.05459	4.5
105.07011	28.9
107.08588	4.3
109.10179	3.9
117.07026	12.3
119.08599	12.7
120.08099	85.5
128.10704	41.3
129.05450	9.8
129.07001	7.2
131.08549	19.8
133.10109	20.8
141.07008	5.6
145.10092	23.4
147.11708	8.2
149.09583	6.1
156.10216	9.9
157.10133	10.4
159.11653	7.3
163.59660	3.2
166.08643	44.3
169.10136	4.7
173.13300	7.4
175.11186	7.0
182.29958	4.1
185.13255	10.1
187.14795	7.9
191.14305	4.7
201.16365	7.6
211.14795	16.5
229.15878	24.7
247.17043	4.8
321.17203	4.1
321.20511	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	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03432	6.2
55.05485	10.3
57.07049	20.5
58.41771	7.5
67.05484	23.1
69.07043	13.1
70.06584	35.8
71.06901	9.2
79.05481	36.5
80.94827	8.6
81.07039	19.2
88.07611	35.2
89.07911	15.4
91.05463	29.6
93.07008	36.9
95.04966	17.5
95.08566	17.6
98.97543	9.1
102.09164	27.8
103.09519	12.0
105.07021	23.8
107.08588	27.0
114.52265	7.7
117.07027	8.8
119.08556	21.5
121.10152	20.7
131.08549	11.4
133.10112	21.7
135.11646	24.2
145.10150	10.8
147.11678	13.1
149.06010	7.7
256.26498	9.7
257.26675	15.8
258.26965	43.1
259.27200	17.1
285.18454	16.4
303.19489	11.3
320.30685	100.0
321.20676	16.6
321.30777	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26382	8.4
54.76798	11.6
55.01863	10.6
55.05495	22.3
56.96560	13.7
57.03423	46.0
59.63943	8.9
61.13773	10.8
67.05498	66.4
69.07067	66.7
71.05009	13.8
71.83359	8.9
79.05482	36.5
80.94845	15.8
81.07059	100.0
83.04960	22.7
91.05470	77.6
93.07041	54.9
95.04956	20.6
95.08588	58.5
97.06548	13.4
105.07046	56.9
107.04942	21.6
107.08604	42.8
109.06536	18.3
109.10150	26.4
111.08082	15.2
117.07020	17.4
118.73962	10.5
119.08594	35.3
121.10180	28.9
123.08096	33.9
124.97035	10.5
131.08575	60.7
133.06517	11.4
133.10081	29.6
135.08075	12.1
135.11763	19.9
137.09612	16.9
145.10126	32.0
149.09665	33.8
151.11246	13.4
159.11804	12.9
163.11195	40.0
201.16429	14.6
219.17538	41.1
229.16034	15.5
247.16862	50.6
252.14711	12.1
265.18030	30.1
278.99368	10.9
297.98050	11.2
321.16754	26.7
321.20602	91.6
321.24234	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	321.2059
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
51.89307	5.8
55.01860	15.5
55.05507	11.1
56.96552	7.9
57.03428	52.6
66.57549	6.7
67.05481	30.9
69.07053	8.0
70.76617	7.1
73.83984	8.0
79.05475	14.1
81.07050	26.6
86.09700	100.0
91.05471	48.6
93.07047	22.8
95.05000	10.6
95.08591	19.0
105.07033	43.6
107.08563	10.5
111.84335	7.2
117.07015	25.5
119.08575	39.6
120.08109	69.7
128.10722	35.9
129.05472	22.7
129.06979	18.1
131.08539	42.2
133.10123	36.7
141.07077	13.8
145.10172	46.4
147.11699	18.5
149.09633	7.7
155.08498	8.9
156.10150	10.8
157.10127	29.4
159.11644	14.4
166.08655	43.9
169.10150	21.7
173.13258	19.0
175.11171	29.4
183.11725	17.4
185.13301	15.9
187.14783	21.5
191.14342	11.5
201.16455	9.5
211.14862	37.8
229.15866	60.6
234.97012	9.0
247.16971	21.5
309.28180	9.6
321.20566	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95575	9.7
55.01866	10.5
55.04399	10.0
55.05509	31.5
57.03428	81.2
60.66759	10.1
61.87127	9.5
61.93963	9.0
67.05508	44.3
69.07059	16.9
69.62248	11.1
70.65833	11.0
73.50468	9.9
79.05505	50.3
81.07073	41.7
83.21327	12.4
84.65874	10.9
85.06561	16.4
88.27530	11.1
91.05464	94.6
93.07056	46.5
95.04955	10.7
95.08626	30.5
105.07025	76.1
107.08604	26.1
109.06502	21.1
117.07054	53.5
119.08555	72.5
128.06239	13.2
129.05498	32.4
129.07057	40.5
131.08578	80.9
133.10162	56.9
145.10104	74.0
147.11745	36.8
149.09676	18.8
157.10182	53.3
159.11763	32.1
165.31480	12.5
169.10144	16.6
173.13367	23.7
175.11266	40.1
183.11740	17.3
185.13263	17.1
187.14877	30.3
191.14325	13.9
201.16394	25.2
205.15964	14.3
211.14915	51.7
229.15807	89.2
321.16956	28.5
321.20660	100.0
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
55.01860	11.7
55.05495	22.3
56.96567	17.6
57.03415	40.1
66.87387	7.6
67.05492	69.0
67.66150	8.5
67.78044	8.7
69.07047	32.6
70.06597	9.4
79.05474	43.8
81.03385	10.0
81.07053	71.7
83.04943	18.4
85.06537	13.0
86.09680	18.2
91.05486	82.8
93.07037	71.9
95.04942	20.6
95.08614	46.3
97.06523	17.0
105.07011	69.9
107.04951	16.3
107.08574	28.9
109.06493	11.4
109.10175	20.8
117.07021	40.9
119.08585	56.1
121.06476	13.8
121.10134	31.8
129.05479	19.8
129.07068	17.1
131.08606	64.3
133.10135	34.7
135.08031	22.9
137.09599	10.6
143.08577	12.2
145.10107	91.2
147.11630	17.6
147.53929	10.9
149.09622	22.1
157.10107	28.2
159.11705	32.4
163.11182	32.8
169.10155	14.0
173.13268	13.7
179.10634	10.0
183.11723	18.4
185.13222	30.6
187.14801	26.9
191.11217	12.1
192.66837	10.8
201.16444	23.5
211.14828	56.8
219.17497	15.7
229.15868	52.1
247.16986	48.1
258.41150	11.8
265.17899	18.9
321.20621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.96826	6.5
51.66354	6.3
55.05504	7.6
57.66423	5.9
67.05502	9.4
67.73203	8.0
69.07083	13.3
76.84966	9.2
81.07076	13.5
88.92477	7.6
95.08619	8.2
98.62629	8.1
101.88988	8.0
107.60368	8.1
109.06528	22.8
121.10160	8.3
123.08043	49.0
127.51557	7.5
135.08008	13.7
136.59386	9.4
179.14299	65.4
186.48694	8.5
225.47044	9.6
265.18015	9.0
280.31580	9.4
321.24252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	11,12-EET
Peak:m/z	Relative Intensity
55.05497	16.0
56.34165	7.0
57.07061	9.6
58.38503	7.0
67.05486	18.9
69.07064	16.7
71.04992	12.6
79.05489	13.0
81.07034	56.0
85.06525	12.3
91.05492	20.1
93.07032	100.0
95.08591	40.8
95.67156	7.7
97.06555	12.4
105.07035	50.1
107.08585	54.9
109.06540	19.8
109.10153	32.0
119.08589	27.7
121.10162	30.6
123.08085	41.0
131.08568	13.2
133.10091	62.0
135.11655	20.6
145.10159	15.6
147.11703	33.7
149.13252	36.6
151.11154	33.6
179.14268	90.2
183.11739	8.7
189.16360	28.5
227.17911	12.5
285.22150	19.2
303.20126	9.5
303.23056	52.6
321.20435	14.5
321.24136	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05496	8.8
57.07050	4.3
59.45494	3.3
65.40517	3.2
67.05493	7.5
69.07065	5.1
80.39289	3.7
81.07043	11.7
82.24936	3.8
88.79532	3.7
93.07072	4.3
95.08600	10.5
99.93646	3.4
107.08545	3.5
108.09298	3.8
109.06486	21.4
109.10142	4.6
114.81610	4.9
121.10118	4.2
123.08061	64.8
130.62112	3.8
135.08093	5.3
141.21188	3.8
165.87111	4.2
179.14287	83.8
217.32063	4.7
265.17960	11.1
281.39536	4.6
303.23169	4.4
321.24228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05500	6.0
57.07066	6.5
67.05492	5.6
69.07047	7.7
71.04996	2.1
71.08630	3.2
79.05495	2.8
81.07050	11.0
83.04922	1.6
83.08595	3.3
85.06516	2.7
91.05468	2.7
92.69893	1.4
93.07042	7.3
95.08589	13.2
97.10179	2.1
97.87829	1.6
105.06988	3.4
107.08585	5.9
109.06506	22.9
109.10218	3.7
111.08092	2.7
119.08575	2.4
121.10152	4.7
122.07256	2.0
123.08058	70.5
133.10078	2.0
135.08023	7.7
137.09619	4.5
163.22194	1.6
179.14290	95.7
194.82997	1.4
219.15601	2.0
232.53514	1.6
242.49460	1.5
265.17978	13.4
303.23254	2.1
304.05072	1.8
321.24200	100.0
322.27670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.51073	6.5
55.05510	15.8
57.07047	9.5
67.05484	30.9
69.07048	35.8
71.04973	12.1
81.07046	45.7
83.08590	11.0
85.06524	16.6
91.05482	25.3
93.07032	100.0
93.24550	8.8
95.08588	37.3
96.95534	7.0
97.06527	13.2
99.04420	11.6
103.97681	8.6
105.07021	47.1
107.08579	55.3
107.11074	10.4
109.10149	28.9
119.08582	35.8
121.10101	31.5
123.08045	9.1
131.08554	16.3
133.10123	56.6
135.11670	22.9
136.65482	8.6
145.10109	13.9
147.11681	35.5
149.13240	44.5
151.11191	28.1
159.11662	12.5
163.14903	9.8
165.12758	10.8
179.14421	13.5
187.14899	10.5
189.16354	32.3
207.17561	12.4
210.07370	8.5
211.14839	9.8
227.17865	13.0
243.17473	13.6
248.52937	8.8
267.21021	9.5
285.22070	21.4
303.23248	51.3
321.24310	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.19587	10.8
53.03680	13.7
55.05500	19.2
60.17822	13.8
62.08561	12.7
67.05495	64.9
69.07037	28.4
79.05481	21.6
81.07053	66.8
81.28022	11.7
83.08597	16.1
91.05473	13.7
93.07035	37.3
95.08597	43.1
105.07027	39.3
107.08588	24.7
109.06519	24.7
119.08590	30.5
121.10132	13.6
123.08042	19.1
131.08461	15.7
133.10129	30.3
135.08003	18.0
154.79271	14.0
163.24051	15.7
179.14301	26.4
275.20068	78.2
303.23166	15.8
321.24268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2419
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
50.49511	7.7
55.05499	10.6
59.61258	6.2
59.90619	7.7
60.86582	7.1
65.04488	6.5
69.07058	16.6
69.31337	6.7
80.33702	7.6
81.07058	18.1
95.08591	13.0
99.48579	7.1
109.06496	21.1
116.69955	7.9
119.17827	9.1
121.10139	9.8
123.08055	95.6
135.08098	10.2
179.14337	18.3
211.83539	8.2
251.29176	9.0
265.18057	15.7
276.46228	10.9
303.23160	10.9
315.77917	8.8
321.24173	100.0
337.82568	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	321.2422
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.03918	3.9
54.95996	4.4
55.05498	11.0
63.19632	3.6
67.05489	7.9
69.07043	10.9
70.04449	4.1
73.87627	4.1
79.05494	5.6
81.07052	10.4
82.70997	4.3
88.60179	4.3
89.84296	4.4
91.05376	4.6
91.71658	5.8
93.07043	10.8
95.08601	17.6
107.08596	9.8
107.79233	4.0
109.06525	14.8
121.10181	5.4
123.08060	97.7
135.08122	5.8
213.92786	5.0
225.34981	4.8
265.18002	21.9
321.13144	5.3
321.24216	100.0
335.89478	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	321.2421
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.05494	40.0
57.07066	82.1
61.92224	13.6
67.05491	59.6
69.07044	66.0
69.07391	13.1
70.98358	13.2
71.08614	37.2
75.36973	14.0
79.05485	28.9
81.07043	89.4
83.04962	19.2
83.08598	28.4
84.18909	13.1
85.06539	15.6
85.10198	17.4
91.05427	15.0
93.07034	57.9
93.44854	14.5
95.08593	72.2
107.08586	52.8
109.06517	17.4
109.10155	34.7
111.04393	17.3
116.73650	15.4
121.10165	31.6
123.08062	73.3
126.96821	15.3
128.86876	15.7
130.75301	14.8
133.10121	32.4
153.62148	15.2
163.69606	14.8
177.65414	17.7
179.14308	100.0
182.76366	14.4
184.47185	12.6
223.16907	23.5
237.18367	30.9
286.47415	14.6
293.24738	53.6
321.24234	89.5
336.97009	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	321.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90981	16.0
53.61391	17.3
55.05516	54.8
55.70095	17.9
57.07063	100.0
62.78428	19.7
67.05489	49.6
69.07056	55.9
71.08613	36.6
79.05479	44.4
81.07042	79.9
83.08566	29.2
83.15676	20.3
91.70933	41.8
93.07036	46.1
95.08597	86.6
107.08633	43.1
109.10160	84.4
111.04436	30.1
121.10123	35.0
124.60243	24.2
132.72141	21.7
135.11687	28.4
142.31702	23.6
167.10747	26.8
172.15558	21.7
185.46191	22.3
237.18582	41.5
280.53851	26.9
293.24875	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06565	9.1
74.34351	5.8
84.04488	6.1
86.09708	5.0
88.03938	4.8
91.21753	4.3
91.71039	4.8
94.98019	4.3
113.68800	4.7
164.07059	5.9
171.71461	6.1
182.02960	5.7
262.06839	9.2
284.43732	6.0
290.06436	6.8
298.85196	5.7
304.07825	32.4
322.08942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29784	1.0
56.55617	1.0
56.63470	1.2
57.03408	1.4
58.99566	5.1
60.27432	1.2
69.03407	5.8
70.06582	3.6
74.06072	1.1
76.02216	24.5
79.01846	5.3
81.03410	3.1
84.04492	13.0
85.02895	12.6
90.03761	3.4
90.05548	7.5
90.23895	1.4
97.02892	10.0
97.22944	1.4
113.57398	1.5
116.01664	4.6
120.54139	1.2
123.05527	2.4
125.02345	100.0
127.03922	3.5
130.05002	4.4
143.03387	23.8
144.01140	4.0
145.04991	2.1
149.83107	1.3
160.06131	2.0
166.04979	2.6
176.03819	8.1
180.07816	1.7
187.05344	1.5
193.06418	9.6
211.22217	1.5
233.05966	3.3
269.06522	3.5
322.13333	1.9
322.30356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17986	2.4
50.97728	2.4
56.05017	3.4
56.96515	2.8
57.07084	3.0
58.06573	10.7
70.06572	8.6
71.08635	2.9
72.08150	15.3
74.77633	3.5
81.07024	3.1
83.08623	3.2
86.06054	6.0
96.35734	3.4
100.07614	3.5
102.88786	2.6
118.08639	7.7
120.08078	22.8
124.19691	2.6
128.36885	2.9
132.10196	47.9
148.09604	3.3
165.72935	2.9
205.76222	3.9
222.39458	3.1
230.21129	59.7
233.14420	3.5
294.45251	3.6
322.25851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.2
57.07057	10.6
57.83575	3.3
58.02946	12.2
67.05487	22.4
69.07059	24.4
71.04983	5.9
71.08292	4.8
71.08627	43.7
75.60251	3.0
79.05483	13.7
81.07046	30.5
82.07357	3.5
83.04962	4.0
83.08611	10.4
91.05453	9.5
93.07037	24.3
95.04970	5.4
95.08603	33.0
97.06541	6.7
97.10166	5.6
99.08105	20.4
100.07600	4.5
105.07020	9.4
107.08592	12.6
109.06503	31.0
109.10149	13.5
109.99532	4.1
110.06860	7.6
111.08117	5.4
113.48572	3.9
119.08591	6.5
121.10127	9.8
123.08059	32.4
124.08392	9.1
133.10078	5.7
142.12280	5.0
163.82277	4.4
165.12711	20.9
179.14299	35.2
180.14651	43.8
193.15894	8.8
198.14981	9.3
224.20068	38.3
250.92851	3.9
252.12924	4.4
266.18256	6.0
291.23138	52.7
322.24417	49.8
322.27469	100.0
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
51.13376	4.9
60.42767	4.2
62.06081	100.0
67.05484	18.7
79.05472	6.0
80.02983	4.5
81.07043	21.8
82.94554	6.0
91.05501	7.4
93.07027	10.8
95.08591	10.2
98.97565	7.0
107.08603	7.0
109.10151	6.9
114.15057	6.2
119.08569	6.7
140.00204	14.9
158.01175	9.7
181.02905	6.2
214.67088	6.0
282.01370	9.5
300.02454	7.6
322.27481	9.0
323.03888	11.0
337.65610	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	323.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28049	1.9
53.30515	2.0
53.39191	2.2
65.69466	2.4
70.06573	6.3
71.19222	2.0
73.03767	2.4
80.61645	2.5
84.04485	3.6
84.08134	4.6
86.09693	4.2
104.71819	2.7
127.40714	2.6
129.10204	2.9
129.11249	2.6
164.07002	2.6
173.81517	2.5
274.37448	3.0
307.42303	2.8
323.10983	100.0
323.14871	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	323.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89792	5.4
56.96556	13.1
59.67303	5.6
59.97241	6.2
60.93133	6.7
69.14907	5.5
81.07024	9.1
95.04935	18.5
98.97571	23.9
105.06982	7.1
116.98625	18.8
119.03687	15.3
134.99646	14.3
137.04721	100.0
140.00165	22.9
158.01181	14.6
181.02882	19.0
187.23305	6.8
207.03793	7.5
233.42470	8.2
235.63428	7.1
253.15752	9.0
261.11362	15.8
282.01318	25.1
282.08496	8.0
299.61606	8.2
300.02335	20.1
305.10309	10.7
308.55984	6.9
323.03979	30.1
323.11429	18.4
339.21536	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52966	3.2
70.06567	13.7
72.08150	5.2
84.04515	4.1
84.08128	6.1
86.09692	14.9
120.04506	4.0
120.08075	7.0
122.05987	4.2
129.10181	6.3
140.07097	4.5
148.07553	11.5
148.35582	4.3
153.36159	4.2
172.07536	8.3
174.09126	4.6
175.08676	4.8
176.07062	15.4
189.10236	7.6
190.08682	6.6
193.09808	8.9
200.07086	9.6
204.06526	5.9
207.11359	10.8
217.09793	14.8
219.07643	6.5
220.57867	4.2
227.08073	5.5
235.10780	11.5
242.08168	6.0
245.09250	12.5
260.09091	6.0
263.10281	15.4
305.11230	13.7
306.09668	25.1
318.95795	4.7
323.12372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37990	1.6
61.56131	1.4
64.88209	1.9
67.05493	1.6
70.06583	24.2
71.01335	6.1
71.06900	3.8
72.08131	2.9
73.74660	1.6
84.04482	3.8
84.08147	1.9
85.02891	2.3
86.09679	7.2
89.02383	3.5
92.11775	1.9
94.06538	3.0
96.04475	6.5
98.06002	2.0
107.04949	10.9
110.06060	2.3
120.08086	3.3
122.06038	7.1
123.04520	2.0
124.07544	3.3
132.08199	2.1
138.05463	2.8
140.07079	3.3
144.08084	3.3
148.07590	8.5
162.09102	3.7
165.10213	8.3
170.79866	1.8
171.09200	2.2
172.07561	10.4
175.08681	2.2
175.11777	3.0
176.07053	19.8
189.10234	6.3
190.08604	13.2
191.08272	1.8
193.09735	10.0
194.08167	2.5
199.08607	3.7
200.07004	9.5
203.08235	3.4
204.06410	2.2
207.11230	9.3
214.08632	2.8
217.09682	22.1
218.08165	4.1
220.15108	2.0
221.09056	5.1
227.08202	2.9
235.10765	10.7
242.08157	6.6
245.09264	12.2
260.09229	2.3
263.10272	13.5
281.11285	3.6
287.10532	2.6
288.08490	2.2
305.11322	8.9
306.09760	18.2
323.12350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49844	34.6
93.23448	40.2
110.18826	39.4
192.08623	47.2
206.06581	47.5
305.08551	100.0
313.58334	48.0
323.09366	87.3
323.12842	53.7
323.17380	51.5
341.10461	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	11.6
66.91227	4.1
68.76212	5.2
79.05531	5.6
79.25745	5.4
81.07024	5.1
98.97604	6.6
107.30467	6.2
116.98640	10.1
122.51241	5.3
126.23191	5.8
140.00189	6.8
157.31464	5.5
220.88585	5.8
249.05490	6.0
282.01575	6.3
323.04181	10.0
323.18301	100.0
323.21887	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06709	20.2
56.96553	64.2
67.05499	38.2
69.07066	25.2
73.24041	18.1
79.05498	40.1
81.07069	58.8
91.05473	45.3
93.07035	44.9
95.08593	48.9
98.30411	23.0
98.97595	93.9
105.07049	64.8
107.08596	27.6
110.66536	22.4
116.98641	60.4
119.08574	51.4
133.10138	41.0
134.99615	54.1
135.11693	25.6
135.74164	27.9
139.82492	22.8
140.00224	100.0
147.11703	45.6
158.01260	63.5
173.29718	22.8
181.02911	53.5
258.99728	44.9
281.38254	25.4
282.01431	65.1
284.64914	27.8
300.02435	69.8
305.24863	31.3
323.03912	100.0
341.47186	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	323.2218
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
51.64915	8.3
54.95871	9.8
55.05508	13.9
56.96560	22.5
60.19925	8.8
60.41215	14.0
60.89151	11.0
63.25531	10.8
63.32316	10.8
65.03941	9.4
67.05488	66.0
67.91759	11.0
69.07063	24.7
79.05491	40.8
81.07057	100.0
88.39713	11.1
91.05505	28.1
93.07060	34.9
95.04970	16.1
95.08598	78.9
97.06598	12.1
98.97627	35.9
105.07055	19.3
107.08626	29.0
109.10194	51.0
115.62472	10.3
116.98682	37.9
117.07095	10.8
121.10170	23.6
123.11745	21.4
133.10156	18.6
134.99753	20.0
140.00246	33.2
158.01271	25.6
181.02983	35.5
282.01407	34.5
300.02530	25.1
314.92902	12.3
323.04102	48.7
323.22287	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	323.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74485	5.1
55.05493	14.8
56.05024	14.0
58.08157	5.1
59.45240	4.9
67.05501	36.0
69.07054	8.8
70.06577	11.9
71.04990	10.3
79.05488	9.1
80.45035	5.9
81.07045	39.7
82.06562	6.6
83.04990	13.4
83.08587	6.6
84.08154	9.9
85.06522	9.2
88.95229	5.2
90.02048	5.8
91.05471	18.1
93.07035	25.5
95.04955	6.7
95.08606	19.5
98.09650	30.1
98.97590	6.9
105.07016	14.3
107.08569	12.0
108.08130	7.0
110.06123	5.7
110.09669	8.2
111.08070	6.8
119.08539	12.5
133.10085	8.6
135.11636	8.3
136.11150	6.1
161.13242	17.9
178.15915	23.4
195.18546	8.9
196.17033	17.0
226.63237	6.4
292.47684	6.0
304.42166	5.9
305.22144	42.1
313.87970	7.2
323.23273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23451	5.7
54.83767	5.6
55.05481	8.3
56.96550	17.2
57.07067	6.9
58.23808	6.2
63.42904	5.7
69.07059	9.0
81.07044	12.1
89.68970	7.1
90.10048	6.5
95.08584	8.1
98.97578	35.7
116.98642	32.6
130.83295	8.3
134.99652	22.4
140.00220	25.2
158.01288	27.8
181.02817	14.9
199.03981	7.9
258.55957	8.2
258.99692	9.3
282.01337	27.8
300.02411	20.9
323.03931	32.7
323.25488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	21.9
67.05497	17.6
77.35400	9.2
81.07050	38.5
84.70600	7.3
84.83489	7.6
91.05499	15.3
93.07018	14.3
95.08612	13.5
98.97574	56.6
107.08601	12.9
116.98624	36.6
121.10129	16.8
134.99673	28.4
140.00201	41.1
158.01262	34.8
181.02856	35.8
212.26068	10.1
218.81497	8.7
258.99777	14.2
277.00830	15.9
281.05585	8.6
282.01312	39.4
300.02481	41.7
301.43164	9.8
305.24738	12.2
323.03958	47.1
323.22006	17.3
323.25443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.05507	13.0
57.07063	4.8
60.84495	1.4
61.44867	1.3
67.05495	10.3
69.07057	18.4
71.04965	1.9
71.08620	5.4
74.54978	1.7
79.05477	5.2
81.07049	23.6
83.04987	3.5
83.08609	8.4
85.06519	2.3
91.05461	3.8
93.07033	10.9
94.62527	1.7
95.04988	2.3
95.08599	21.4
97.06512	6.1
97.10144	3.6
99.08072	1.8
105.07020	2.4
107.08588	15.2
109.06484	6.0
109.10166	9.0
111.08060	4.3
111.80530	1.8
116.96910	1.7
119.08566	6.0
121.10149	9.3
122.20234	1.7
123.08036	8.5
123.11646	2.8
129.35620	1.8
133.10104	3.4
135.11670	3.0
137.09538	2.2
137.18492	2.3
149.13205	3.1
163.14774	2.4
167.14301	4.1
179.14307	4.7
271.90451	1.8
277.45740	2.0
305.24860	12.9
323.25769	100.0
344.56284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62469	13.5
55.05492	24.6
56.96553	38.1
58.78257	13.7
69.07052	38.0
73.87294	14.6
79.05470	15.7
81.07047	47.2
82.49242	18.1
83.08614	29.9
91.05461	39.0
93.07022	31.4
93.97848	19.9
95.08589	42.5
98.97570	97.6
99.08120	19.7
99.18555	15.3
105.07055	49.9
107.08583	37.8
107.93885	14.2
109.06506	27.5
109.10178	38.4
112.15441	18.2
116.98631	100.0
119.08579	29.2
121.10136	29.6
123.08071	32.8
133.10126	34.5
134.99641	33.9
140.00201	91.1
145.10065	20.0
146.32234	18.8
158.01292	57.2
159.11659	24.8
171.45309	18.7
174.45877	18.6
181.02884	77.2
181.63684	19.5
199.14890	17.2
222.66571	17.4
277.00833	31.5
282.01389	74.1
292.75568	23.7
300.02402	65.2
323.03946	73.2
323.25845	87.0
324.03900	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	324.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31067	4.5
52.98176	3.6
70.06572	14.6
75.41249	4.5
79.11943	4.9
84.04492	11.4
84.08128	7.1
86.09692	7.0
88.07623	34.7
91.05484	11.1
105.07145	5.5
119.04897	5.5
121.06465	12.4
123.05527	10.2
137.05952	36.1
137.13701	5.0
152.07132	7.0
158.65076	4.9
164.07068	66.2
174.01712	4.8
202.08749	7.2
218.08130	8.3
219.08984	9.2
225.87991	5.2
236.09180	52.0
262.10834	6.4
306.09540	22.5
324.10513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52093	3.1
70.06594	11.6
70.30324	3.1
72.08173	6.4
86.09739	4.4
95.04945	3.8
107.04947	93.8
108.05247	4.5
109.06513	7.8
115.05517	7.9
133.06628	4.0
137.06038	7.6
143.70618	4.7
148.12030	3.7
161.06056	17.6
162.05528	11.1
164.07108	15.7
165.07430	10.8
174.61545	4.0
177.07869	7.1
178.08618	42.8
178.10085	4.6
189.05499	6.0
190.08615	91.8
199.77147	4.0
199.79416	4.0
204.14914	3.8
235.08357	100.0
235.10484	7.5
236.09329	6.3
243.05444	4.5
296.11475	16.3
306.09641	27.9
324.10550	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35006	3.2
58.12806	3.2
66.92366	2.9
70.06572	15.0
72.08163	5.0
84.04491	11.3
84.08138	11.9
86.09693	4.1
88.07620	32.7
91.05463	12.1
109.08409	3.4
110.06082	3.5
111.04498	4.4
117.80268	3.4
119.04929	11.1
121.06520	16.8
122.31003	3.7
123.05545	6.2
129.10257	5.4
137.05971	37.7
162.05554	6.0
163.06317	4.7
164.07066	59.3
173.05548	4.0
201.07799	7.8
202.08549	5.5
218.08136	4.9
219.08900	11.8
234.05566	3.9
236.09132	47.3
240.10410	3.9
260.26489	5.0
262.10745	4.6
306.06161	6.2
306.09738	11.0
324.10568	100.0
348.97324	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	324.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06025	0.7
57.82645	0.7
57.97693	0.8
59.77830	0.8
70.80515	0.8
71.43919	0.8
73.41383	0.8
74.03160	0.9
79.05485	1.4
80.05014	1.0
87.11743	0.8
88.32447	0.8
90.52283	0.8
91.05463	1.9
93.07023	2.2
95.04970	1.9
103.05473	2.1
106.06560	2.2
107.04939	1.3
107.08560	0.8
108.30867	0.9
115.94991	0.8
120.08099	100.0
121.08881	0.9
130.06450	0.9
137.26933	1.0
137.37805	0.9
144.08099	1.0
148.07555	22.0
149.08395	4.7
158.53133	0.9
174.47559	0.9
175.68391	1.0
206.08199	1.2
234.07527	1.9
257.00476	1.2
272.68887	1.0
296.11307	7.8
306.09772	1.4
324.10706	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	324.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	1.6
62.59851	1.6
67.05492	1.4
69.07064	1.6
73.44043	1.6
79.05482	9.6
91.05471	2.2
95.04980	5.0
97.91396	1.5
98.97604	2.3
103.05436	11.4
105.07023	78.4
107.08597	2.6
107.72950	1.7
116.98677	1.9
133.06479	63.4
135.08044	100.0
150.82230	1.9
151.07527	18.8
158.01372	1.7
279.17764	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	324.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22493	1.0
67.05478	3.7
79.05478	2.5
81.07026	1.8
91.05460	2.5
93.02750	1.5
93.07033	1.1
95.08636	1.3
96.27707	1.4
105.07024	3.4
107.05013	1.3
107.08618	5.5
108.92974	1.1
115.05505	1.6
134.07292	2.9
135.08044	100.0
185.80939	1.3
237.75414	1.3
324.23492	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	324.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38055	1.0
64.84027	0.9
66.60247	0.9
73.17146	0.9
74.76367	1.0
75.51195	0.9
79.05490	2.1
91.05470	3.0
91.71078	1.2
105.07037	2.8
105.54672	1.0
107.08605	4.1
134.07240	1.2
135.08046	100.0
218.71719	1.2
296.13477	1.3
324.23471	11.1
327.58566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05496	4.5
55.37863	1.5
57.07068	2.2
59.42384	1.6
62.06081	100.0
67.05496	23.9
69.07056	8.3
79.05495	3.0
81.07047	17.1
83.08607	2.6
91.05497	3.7
93.07031	2.9
95.08587	11.9
102.59654	1.8
105.07015	2.5
107.08610	3.0
109.10143	4.4
119.08615	2.5
123.11720	2.9
133.10124	2.0
151.49068	1.7
165.99419	1.9
307.26431	3.2
315.62552	2.1
324.29013	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	324.326
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07059	6.2
58.70282	1.4
69.07040	3.8
71.08607	2.2
77.85242	1.6
85.23349	1.5
86.09699	53.2
108.57242	1.5
110.34453	1.9
116.81056	1.7
141.13269	1.8
142.12221	1.7
246.67468	1.8
294.27884	2.0
307.54453	1.9
324.32581	100.0
325.32901	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	324.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24390	2.2
51.37947	2.4
57.07072	3.9
69.07042	2.8
72.04510	9.4
73.95543	3.1
84.08147	4.9
85.72449	2.4
86.09707	34.0
89.24847	2.8
222.84509	3.3
263.51202	3.4
278.49002	4.0
324.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70513	5.4
55.05481	5.5
55.37625	6.2
55.50977	6.5
56.65965	6.5
57.07053	13.4
62.04771	6.4
63.34077	6.2
65.43629	6.1
69.07063	18.1
71.08614	43.0
74.86340	5.7
75.20068	6.5
77.28739	5.8
78.95744	5.9
83.08627	13.3
86.06055	9.4
88.11255	55.8
93.06990	7.9
95.08563	6.8
138.57277	7.7
188.18466	7.0
324.32535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43808	6.3
56.76466	9.5
57.18836	7.2
57.82455	9.3
69.03421	7.9
70.06587	20.6
70.29750	8.3
72.08148	10.4
73.59896	8.4
109.05228	11.5
110.06026	78.7
120.08117	9.8
122.02351	13.1
136.03920	11.7
181.07663	17.1
193.07620	14.6
198.07608	11.7
209.07117	53.1
212.05820	9.7
221.07127	11.7
224.05891	9.8
226.07347	10.7
236.05856	10.5
237.06601	57.3
238.07307	14.5
245.84427	11.0
253.06125	18.7
254.06937	38.6
265.06042	31.5
283.07141	100.0
293.05594	90.2
297.08759	63.7
325.08060	30.0
327.61987	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	325.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08587	2.9
53.03010	2.7
53.59051	2.4
55.90733	2.3
62.03833	3.0
68.36066	2.5
69.71770	2.8
70.06578	4.7
77.83583	2.7
82.16243	2.6
85.02909	5.1
89.12522	3.2
90.70874	2.8
91.70969	2.8
119.26203	3.3
127.03909	3.5
132.45676	3.3
133.26036	3.4
136.07652	3.4
194.10349	6.9
270.60678	3.7
325.08908	100.0
342.67645	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70846	1.8
55.18770	2.2
67.05498	2.2
84.08157	2.4
91.71684	2.2
94.06558	7.7
106.06577	2.8
114.99976	2.1
122.06036	7.3
131.84717	2.4
134.05978	5.5
142.04021	2.2
144.22746	2.3
149.07014	4.2
150.05490	100.0
151.08685	5.2
152.07042	4.0
152.97345	2.6
161.98570	2.5
168.06551	2.9
191.36398	2.9
206.14952	3.1
325.09030	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	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01866	2.8
57.03439	3.4
60.76461	1.2
62.77707	1.1
69.03422	23.3
69.03772	1.5
70.06585	2.2
71.04976	7.7
77.16770	1.1
81.03402	24.0
85.02921	2.3
86.09746	1.3
87.58907	1.2
91.05458	1.7
99.04483	5.9
113.89983	1.3
116.04993	1.4
117.05512	2.3
118.06548	8.1
127.03973	1.4
135.10959	1.4
145.07567	7.5
147.09192	7.6
162.07932	1.8
163.08728	2.5
173.07112	13.6
175.08673	7.6
177.05412	2.5
191.08141	100.0
222.31667	1.2
233.09195	1.6
235.56122	1.8
307.12811	24.9
325.13855	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	325.1436
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
50.07928	8.1
56.96555	15.8
69.03411	37.4
70.06575	24.3
73.02859	12.2
78.29821	11.6
79.21703	9.8
81.07019	11.4
84.04510	12.3
84.08133	21.7
85.02892	36.3
86.09700	16.4
94.07099	12.9
98.97552	15.9
103.45462	12.7
115.07575	13.1
121.06596	12.8
121.61789	13.7
127.03917	18.6
140.80986	11.7
166.73582	12.4
197.06044	15.9
265.12161	23.3
283.13245	34.4
301.14322	27.6
306.14963	60.2
324.15973	53.0
325.14227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
55.01862	8.0
55.05503	13.2
56.96574	4.4
61.62308	5.2
65.03948	5.3
67.05502	26.3
68.36567	5.8
69.03430	8.9
69.07048	14.8
79.05471	33.0
81.03405	7.2
81.06598	8.7
81.07046	100.0
83.04913	5.3
83.08620	12.9
91.05472	24.1
93.07043	28.4
95.04955	23.1
95.08607	19.2
97.06505	7.2
103.05502	6.1
105.07030	15.0
107.04946	16.3
107.08592	15.4
109.06509	36.9
109.10163	7.0
117.06994	9.3
119.08569	11.3
121.06561	5.2
121.10117	9.9
123.08063	7.7
131.08572	16.6
133.10170	9.9
133.87761	6.3
137.09554	6.7
145.10066	6.5
151.11243	6.4
159.11581	5.6
161.09538	5.5
179.33521	6.3
180.88829	5.9
211.31328	5.2
231.37045	6.1
279.19568	17.3
325.03595	6.6
325.19962	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.2
55.05495	15.0
57.03198	4.4
57.03430	51.5
61.41785	3.9
65.03926	4.8
67.05500	64.0
69.03417	11.8
69.07054	19.0
71.04984	11.3
79.05486	56.3
81.03410	4.8
81.07046	98.5
83.04993	9.0
83.08622	8.1
84.87289	4.2
85.06539	20.9
87.04458	6.4
87.19334	4.0
91.05474	87.7
93.06480	7.2
93.07035	100.0
95.04972	26.2
95.08593	71.8
97.06520	21.5
97.10117	4.0
99.04466	9.9
99.08116	4.2
105.07031	76.5
107.04901	5.0
107.08601	45.2
109.06523	16.1
109.10168	15.7
109.38091	4.2
111.08083	9.8
111.11783	4.3
113.05992	15.2
117.07006	27.8
119.08564	47.4
121.10155	22.2
123.08051	8.2
127.03944	8.9
128.06310	4.8
129.06993	21.1
131.08557	54.7
133.10129	42.7
135.11684	24.4
141.05429	4.7
142.07797	5.5
143.08578	18.8
145.04970	6.3
145.06456	4.8
145.10110	42.7
147.11676	27.8
149.09596	6.6
149.13307	13.4
153.12744	5.3
157.10095	10.6
159.11708	42.3
161.13255	13.2
163.14803	6.3
169.10022	7.4
171.06624	6.8
171.11674	40.0
173.13258	34.4
185.13239	6.6
187.14804	13.7
189.12718	9.1
199.11273	6.5
199.14825	5.9
217.12317	12.1
225.16479	5.4
227.17955	13.4
235.13258	7.7
243.17506	6.0
245.18954	7.2
263.20065	6.5
279.19608	7.1
307.18906	39.4
317.91479	5.3
325.19968	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	325.2007
Annotation	Grindelistrictoic acid
Peak:m/z	Relative Intensity
51.11028	11.7
54.35905	10.7
55.05503	29.0
59.16327	9.9
67.05488	50.2
69.07056	46.1
69.49987	12.5
79.05470	38.7
81.07043	83.7
85.02882	15.8
85.90308	13.0
91.05471	43.8
93.07038	61.5
95.04935	27.6
95.08593	37.7
100.42166	15.0
105.07040	29.1
107.04955	17.5
109.06526	40.4
109.10096	24.2
110.46185	13.0
117.07101	14.4
119.08544	32.1
121.06515	20.5
121.10100	14.3
123.08075	13.2
127.78084	12.6
131.08592	37.9
133.10143	28.3
145.10100	15.5
151.11230	14.8
159.11807	17.9
168.21609	12.4
175.11124	15.2
185.85352	14.3
201.83122	14.9
227.93861	15.7
279.19601	62.4
304.99609	14.6
307.19241	19.1
325.20059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Grindelistrictoic acid
Peak:m/z	Relative Intensity
53.20236	3.4
55.01857	7.2
55.05504	10.2
56.96566	5.7
57.52633	3.3
65.40570	3.7
67.05500	47.0
69.03394	3.8
69.07056	37.5
71.04979	8.7
76.75083	3.8
79.05465	24.2
81.07049	43.3
83.04957	8.7
83.08599	7.3
85.02918	4.0
86.25072	3.8
91.05467	28.8
93.07039	38.0
95.04951	13.2
95.08583	21.3
97.06514	9.7
105.07017	26.4
107.04955	10.5
107.08582	23.3
109.06506	14.4
109.10159	11.4
117.07011	10.7
119.08603	17.2
121.06506	8.2
121.10112	7.6
123.08074	7.3
128.27731	4.2
131.08568	17.2
133.10144	18.2
135.08012	6.3
135.11649	8.4
137.09602	5.0
143.08577	6.5
145.10127	11.7
149.09677	4.8
151.11179	13.4
157.10101	6.9
158.82545	4.8
161.09634	5.1
163.11200	15.2
166.41130	4.0
175.11176	6.8
177.12720	4.8
187.11298	4.7
243.17500	5.0
250.22313	5.0
279.19547	42.6
307.19119	10.4
325.20041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	17.9
56.67360	3.5
57.03419	5.6
57.07058	7.9
62.45773	4.3
67.05129	5.2
67.05492	95.2
69.07053	12.1
71.04964	5.9
76.81454	3.9
79.05482	62.8
80.36697	4.6
81.07047	100.0
83.08604	9.3
85.01064	4.0
85.06519	8.7
86.06458	4.2
91.05460	39.3
93.07033	90.8
95.04972	10.0
95.08600	53.6
99.08094	6.7
105.07015	24.6
107.08585	51.9
109.10143	33.1
117.06989	16.7
119.08606	18.6
119.85604	4.5
121.10130	49.8
123.11694	18.4
129.91997	4.7
131.08568	22.2
133.10133	11.1
135.08069	12.8
135.11684	58.2
137.13315	7.3
142.06418	4.6
145.10146	15.2
147.11682	14.5
149.13272	25.0
159.11658	17.3
160.91251	4.8
161.13260	5.9
173.13249	11.4
187.14903	6.3
205.19540	12.2
215.17900	50.8
218.66216	4.9
233.18985	53.9
236.54538	5.3
249.32976	4.8
323.40381	6.0
325.23651	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55557	9.8
50.56833	9.8
54.61575	9.4
55.05506	20.0
57.03410	10.4
60.21252	12.5
67.05501	96.3
72.37305	9.7
79.05479	59.2
81.07056	100.0
90.36178	12.8
91.05482	38.4
93.07032	95.2
95.08590	70.0
96.62122	12.8
103.51302	10.8
105.07021	23.7
107.08601	34.6
109.10168	20.6
110.98559	12.6
119.08598	13.5
121.10157	46.6
123.11712	26.1
131.08530	22.5
133.10115	24.4
135.11678	61.4
145.10103	13.4
147.11621	18.9
149.13264	31.5
159.11781	13.1
200.82652	12.6
215.17989	55.2
233.19026	64.5
249.72379	14.8
280.03525	13.3
301.20682	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60716	7.2
55.05505	8.1
57.03405	7.3
57.07053	14.0
67.05494	100.0
69.07066	11.6
71.04988	6.6
78.69860	7.7
79.05484	50.5
79.35980	7.2
80.74023	8.0
81.07051	91.8
85.36742	7.0
91.05468	42.6
91.71657	10.7
93.07030	56.8
95.08600	61.8
95.18083	7.5
98.97543	12.2
101.44466	9.5
105.07082	19.5
107.08593	43.4
109.10159	30.8
117.07061	12.5
119.08578	17.7
121.10143	39.7
123.11694	29.4
131.08604	15.9
133.10098	13.2
135.11687	43.2
141.72713	9.1
145.10083	11.9
147.11609	12.4
149.13245	12.4
159.11674	15.1
173.13319	12.7
215.17986	43.3
233.18967	45.1
259.41425	9.1
307.22687	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	325.2371
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.86240	5.2
53.92419	4.8
55.05514	13.1
57.03419	11.0
57.07065	6.3
67.05499	98.7
69.07057	13.7
79.05486	57.4
81.07049	100.0
90.27112	4.9
91.05495	30.7
93.07040	71.7
95.04938	9.5
95.08600	54.6
97.06519	7.5
98.26125	5.3
101.69714	5.2
104.79092	5.5
105.07031	22.2
107.08588	43.8
109.10174	36.5
112.79472	6.0
117.07033	10.0
119.08578	15.7
119.87493	5.6
121.10146	31.5
123.11750	26.9
131.08588	29.4
133.10155	18.6
135.11687	47.8
137.13235	6.4
140.41124	5.6
145.10091	24.0
147.11755	15.5
149.13239	31.0
159.11676	15.2
173.13219	17.7
205.19518	8.1
215.17905	35.9
233.18990	30.0
246.97227	5.5
283.02408	5.9
294.21658	6.7
298.72961	5.4
307.22708	5.9
325.23788	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57360	5.4
53.17937	5.8
55.01864	94.2
55.05514	22.2
55.67142	5.9
57.07075	7.8
67.05502	41.2
67.31894	6.6
69.03433	9.8
69.07057	64.4
79.05493	34.3
81.07047	68.8
83.04998	8.4
83.08637	22.8
91.05505	30.9
93.07050	54.6
95.04992	15.8
95.08611	41.5
97.06528	100.0
98.97624	12.5
101.14369	6.6
105.07058	30.1
107.04968	7.6
107.08609	32.4
109.06570	8.0
109.10184	16.5
111.08147	11.8
117.07041	15.1
119.08599	17.3
121.10162	22.7
123.08070	8.5
125.09653	12.7
131.08568	21.0
133.10120	12.4
135.08099	23.1
135.11723	9.2
140.00290	8.5
145.10178	14.9
147.11746	20.5
149.13333	21.4
159.11746	21.6
161.13295	9.4
177.12747	41.3
219.13922	15.2
236.58945	7.3
244.04202	7.4
271.43176	8.6
289.21710	25.0
307.22589	55.8
325.23767	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	325.2372
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05502	29.4
56.96555	20.5
57.07063	27.2
67.05479	46.0
69.07042	56.8
71.08601	39.3
76.16300	10.9
79.05463	25.8
81.07037	65.2
82.81892	14.4
83.37608	11.5
91.05508	17.6
93.07002	26.9
95.04938	22.3
95.08583	36.1
96.07818	13.1
97.06530	18.0
99.08060	14.9
105.07057	17.6
107.08601	26.5
109.06525	37.6
109.10162	18.5
121.06492	13.7
121.10165	14.5
124.90993	13.0
125.05986	15.1
140.00180	13.4
143.45105	11.9
165.12730	45.6
181.15694	13.5
181.26695	13.6
207.35416	13.5
215.14432	12.4
220.78055	12.3
261.22128	24.6
289.21622	49.8
307.22714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81835	21.5
55.05487	100.0
55.05717	18.5
56.96576	22.1
67.05495	48.5
69.07031	35.6
69.32434	19.1
79.05487	58.1
81.07048	81.5
81.61476	21.5
83.08608	80.9
84.28896	21.5
91.05480	74.2
93.07042	72.2
95.08603	47.1
97.06554	23.5
98.97567	24.2
105.07014	39.5
107.08574	28.3
114.67183	21.1
121.10170	27.9
126.06663	22.3
131.08638	32.5
145.10101	38.8
159.11755	32.1
163.11176	53.4
163.70915	27.6
181.02768	30.9
289.21893	31.0
294.28781	25.9
307.22427	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90548	2.6
55.05494	14.0
57.03427	7.1
57.07055	5.2
58.04736	2.7
59.93650	2.4
65.03929	4.2
67.05497	100.0
69.07047	11.9
71.04990	6.1
71.54781	2.9
74.52770	2.7
75.65213	3.0
79.05484	55.9
81.03400	2.5
81.07046	92.9
83.08629	6.8
85.06533	6.1
90.29385	2.7
91.05472	34.7
93.07034	62.2
95.04997	5.9
95.08598	66.6
95.09158	5.2
97.06515	5.3
98.83793	2.8
99.08086	4.3
105.07033	33.4
106.07363	7.2
107.08585	43.2
109.06491	4.4
109.10152	31.7
117.07017	13.3
117.18367	2.9
119.08585	14.8
121.10146	47.3
123.08054	3.8
123.11693	16.1
131.08578	26.0
133.06468	8.2
133.10118	22.8
134.06866	5.8
135.08070	14.4
135.11691	46.6
136.08377	9.5
137.13271	5.5
140.00204	2.7
141.80293	2.8
145.10141	15.2
147.11664	15.1
149.09550	4.6
149.13248	22.6
159.11713	16.5
161.13316	4.6
162.14026	3.5
173.13239	10.7
197.55814	3.5
205.19557	8.9
207.28148	3.3
212.27516	3.2
215.17957	44.5
233.18985	51.8
251.20328	4.6
252.79070	3.3
280.17834	6.8
298.28351	3.3
307.22595	9.2
325.23868	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	325.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07931	4.9
51.07971	4.8
51.97995	4.8
53.38748	5.5
55.05503	42.6
57.07067	100.0
65.03945	7.6
65.33598	5.8
67.05492	59.1
69.07059	77.0
71.08621	49.9
79.05479	29.2
81.07051	93.2
83.04973	12.3
83.08604	26.4
85.10165	24.7
91.05459	8.3
93.07041	70.7
95.08603	82.2
97.06538	7.3
97.10154	20.1
107.08598	69.8
109.06537	7.5
109.10129	49.7
111.04440	29.4
121.06514	10.6
121.10130	34.5
123.11671	33.3
133.25360	7.8
135.08069	19.5
135.11679	25.7
137.13286	9.9
139.07547	19.8
149.09654	8.5
149.13235	16.7
153.09094	16.3
163.11118	7.5
163.14937	11.0
167.10678	19.3
171.01425	17.2
177.16379	9.6
181.12253	22.2
195.13736	17.4
209.15385	26.3
223.16922	46.8
237.18425	62.5
245.09514	7.9
251.20030	63.3
265.21619	26.5
307.26352	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.00294	2.5
53.03933	3.2
53.79758	2.7
55.05291	2.8
55.05506	28.6
55.55609	2.4
57.07057	9.8
59.04988	2.9
59.26343	2.6
63.85768	2.4
67.03542	2.9
67.05499	37.7
69.07063	60.2
71.04980	7.2
71.08613	4.9
73.46835	3.2
79.05482	16.8
81.07047	100.0
83.04990	3.9
83.08620	16.1
85.06522	9.5
85.82506	3.0
91.05469	16.2
93.07040	58.0
95.08604	91.2
95.78955	2.8
96.26884	3.2
97.06514	6.6
97.10160	33.3
105.07020	31.2
107.08590	62.7
107.09273	5.2
109.06498	4.2
109.10162	48.4
111.11700	3.9
113.09641	8.3
119.08572	19.8
121.10149	54.2
123.08106	4.0
123.11687	27.5
125.09634	9.6
131.08507	5.1
133.10120	19.0
135.11702	19.5
137.13248	12.1
139.11180	7.1
145.10098	7.8
147.11714	18.3
149.13266	24.7
151.11229	4.7
151.14861	4.9
159.11719	9.2
161.13237	13.8
162.98122	3.6
163.14835	20.8
165.16451	3.7
175.14803	9.2
177.16409	6.1
189.16359	5.2
191.17897	4.4
201.16428	3.8
203.18208	3.1
215.18018	4.6
231.21198	3.4
247.24231	6.1
259.24521	3.9
270.36801	3.4
271.24142	3.4
273.53079	3.4
289.25262	9.8
307.26202	3.9
325.27356	9.0
342.29355	3.9
342.92328	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	326.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81768	1.5
69.07063	1.5
70.06586	15.0
72.08137	3.9
77.06248	1.6
79.05505	1.6
84.04498	2.0
84.08125	3.4
86.09678	2.3
91.05466	4.7
98.98460	34.3
103.03951	3.1
103.05438	4.0
105.07017	21.2
107.04935	4.4
115.05503	2.4
117.05779	7.7
120.08097	4.5
121.03221	1.8
130.06516	11.9
131.03348	2.5
132.08087	100.0
136.07585	2.1
140.01062	2.8
174.99214	2.8
178.08600	14.5
202.08609	2.6
231.83386	1.7
280.04819	2.0
280.11777	31.5
326.08594	2.3
326.12335	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1384
Annotation	Isolaureline N-oxide
Peak:m/z	Relative Intensity
54.47673	2.7
55.58549	2.7
66.47160	2.7
75.23508	2.9
75.86681	2.7
82.44352	2.8
85.02889	4.0
86.46321	3.6
91.05463	18.1
93.07039	17.7
95.04982	9.4
95.08641	3.6
98.98453	57.0
103.05468	14.4
107.04927	24.4
118.06571	4.4
118.98285	3.3
120.84394	3.0
121.06495	100.0
121.07317	6.2
130.06563	7.2
140.01118	6.5
144.08098	5.6
156.08017	3.8
158.09680	16.2
160.07552	6.0
162.09161	12.5
168.08057	7.9
169.78229	3.4
174.09190	5.6
174.99207	6.3
186.09157	30.8
204.10193	5.1
214.08655	13.8
232.09660	31.7
237.77643	4.8
280.13269	50.8
290.01566	3.2
326.13809	99.2
341.56204	3.8
343.16464	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	326.1747
Annotation	Benalaxyl-M
Peak:m/z	Relative Intensity
71.08601	1.7
81.07027	2.3
82.70547	1.2
93.07037	1.5
98.98463	13.0
105.07006	1.3
107.08564	1.4
131.31468	1.4
134.39386	1.2
134.91403	1.3
136.86414	1.5
140.01094	2.4
155.62704	1.2
159.10426	52.4
174.99222	2.0
182.34740	1.8
266.15369	100.0
267.16092	1.4
307.66174	1.6
326.17487	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.0
57.62561	4.1
62.06079	100.0
67.20930	3.6
69.07060	12.1
71.41550	4.0
72.08192	3.9
81.07020	7.0
83.08617	7.7
95.60220	3.9
98.98457	64.8
100.78498	4.7
140.01068	7.8
174.99223	12.1
205.57359	5.6
216.22580	5.3
248.68851	5.1
326.30566	13.3
326.37317	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	326.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03337	1.8
57.07068	15.7
67.05486	3.9
70.06584	11.4
71.08613	6.9
74.52306	2.2
81.07014	3.1
85.10178	7.1
88.07623	100.0
95.08562	4.0
96.48265	2.6
98.98457	9.1
126.82188	2.6
146.58409	2.9
218.49898	2.6
288.18292	2.7
326.30466	35.0
326.37625	4.3
343.36621	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	326.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
55.05489	1.9
57.07065	8.3
69.07040	2.5
69.81163	0.7
71.08621	6.5
74.06069	4.0
81.07058	0.8
83.08604	1.7
84.44289	0.9
88.07622	13.3
88.11242	2.9
92.44885	0.7
98.98466	1.8
102.09174	7.4
105.70742	0.7
116.10701	2.6
144.13858	1.1
150.20781	0.8
186.79367	0.8
256.26315	19.8
266.12030	0.8
297.29037	1.2
326.34143	100.0
327.34323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17514	5.5
57.07063	10.8
80.53405	5.3
88.11240	5.6
91.97325	5.1
98.07217	5.2
98.98476	16.5
102.09198	9.0
115.41545	6.4
326.34158	100.0
326.37878	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	327.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18391	1.7
67.52277	1.4
69.03419	1.5
84.04488	3.0
91.71027	1.7
97.02927	1.8
98.98461	100.0
110.35835	1.5
116.01111	1.8
116.27380	1.7
116.99475	2.1
127.03917	4.7
140.01093	12.9
174.99266	8.9
189.93253	1.8
212.76627	1.9
290.30182	1.9
299.37473	2.2
316.26947	1.9
327.04736	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	327.0778
Annotation	Triphenyl phosphate
Peak:m/z	Relative Intensity
50.19813	2.6
53.03917	5.8
57.25978	2.7
67.05515	3.9
69.07053	6.2
70.06560	3.1
79.05462	6.2
81.07047	7.2
83.04987	4.0
91.05486	18.2
93.07055	7.0
95.04962	30.4
95.08609	13.1
98.98454	100.0
105.04513	4.4
105.07018	29.9
107.08571	3.8
109.10176	5.1
111.08028	3.5
117.72816	3.7
119.08581	5.6
121.10136	3.5
123.11681	4.3
131.08702	3.6
133.10155	7.0
134.43556	3.6
140.01094	14.8
152.06134	22.7
153.06982	18.2
153.44035	3.7
154.60333	3.9
158.97531	4.1
161.33392	3.8
171.08177	5.4
174.99236	11.6
215.02512	5.8
228.09331	7.8
233.03613	14.8
251.04727	9.6
252.45436	3.9
267.29858	4.9
327.07748	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19333	2.7
56.96561	39.6
70.06572	3.2
97.99207	4.3
98.98454	100.0
114.37286	3.3
124.00726	3.7
140.01068	6.7
142.01782	18.8
144.98349	3.5
160.02776	17.1
165.03299	16.8
172.06380	8.1
174.99254	10.3
183.04428	25.9
198.08038	5.7
206.06084	6.9
216.09044	40.0
220.05075	3.8
222.57368	3.9
234.10056	9.3
239.10620	43.0
241.12196	9.2
257.11722	17.7
264.13885	5.4
269.85342	3.5
280.13306	11.7
285.11227	14.8
303.12283	17.3
308.12753	48.8
326.13882	21.1
349.15485	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	327.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
70.02909	1.0
71.17267	1.0
80.21505	1.0
98.98460	10.8
105.05762	6.9
107.04953	8.8
114.28873	1.2
118.06541	1.9
129.05722	13.4
130.08652	1.1
132.04388	1.2
140.01093	1.6
146.06003	1.5
157.05220	33.8
158.06032	3.0
159.06798	6.2
160.07576	1.8
170.05991	3.8
172.07570	13.0
174.99248	1.6
178.07758	1.2
186.05481	1.1
198.05542	3.2
218.45587	1.1
222.09033	5.6
236.10841	1.4
246.09212	3.2
248.10692	3.4
249.07780	2.7
250.08563	9.5
262.08572	2.0
264.10162	100.0
266.11780	11.9
267.27051	1.2
274.08521	6.4
292.09616	8.6
309.12314	9.4
311.70813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86703	0.5
54.25150	0.5
58.28869	0.6
65.96201	0.5
69.07055	1.2
70.06579	4.9
77.95679	0.6
84.08141	1.0
86.09698	14.3
87.05554	0.9
87.06850	1.2
88.07597	0.6
98.98455	4.5
100.07614	19.0
102.42051	0.9
108.01192	0.9
114.09161	6.6
132.10205	7.6
133.06076	2.8
137.05992	0.8
152.03734	1.8
196.06380	100.0
213.09013	0.8
232.23943	0.7
245.59311	0.6
349.61746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01852	3.4
55.05501	10.3
65.57417	1.7
67.05495	10.5
69.03420	3.0
69.07050	4.0
74.66164	1.6
79.05480	7.1
81.03394	2.9
81.07040	15.9
83.04982	4.3
83.08612	4.8
85.10161	5.6
87.04542	2.0
91.05479	4.8
91.71680	2.3
93.07038	4.4
95.04976	3.4
95.08591	6.0
97.06507	2.6
97.10167	10.8
98.98454	100.0
105.07004	3.3
107.04942	3.5
107.08578	8.3
109.10129	4.7
111.08047	3.6
113.09637	2.7
118.25990	2.0
119.08575	3.2
121.06516	2.9
123.08062	5.8
125.09623	6.5
127.64624	2.3
131.08556	3.2
133.10095	4.1
135.08035	4.3
140.01071	10.5
145.10094	2.3
158.78001	1.9
174.99211	9.9
189.11261	5.7
240.67802	2.0
281.21329	2.3
291.19547	11.4
309.20508	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36618	3.4
68.68447	2.9
69.07058	7.6
81.07039	9.3
83.08620	5.7
93.27625	3.4
95.08620	7.0
98.98461	100.0
105.50446	3.6
106.96373	3.8
140.01093	10.9
174.99219	8.4
183.15506	4.5
203.61670	4.3
221.64627	4.6
228.19435	3.9
274.91882	4.8
327.22742	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93664	2.8
55.90892	2.3
57.07048	2.9
66.94704	2.5
71.00064	2.8
72.51276	2.8
73.67342	2.7
74.36385	2.6
81.07047	4.3
82.41877	2.5
87.43146	2.9
98.98454	87.7
113.54771	3.3
121.57518	3.0
125.47099	2.7
137.19170	3.2
140.01062	9.7
174.99226	8.7
181.60901	3.5
186.15654	3.3
222.26985	3.5
234.81256	3.5
243.93428	3.3
327.22839	100.0
327.37946	3.6
348.31842	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85682	4.3
55.05495	12.5
55.71427	4.6
57.07053	7.0
67.05499	34.1
69.07053	22.8
69.40926	5.4
70.51913	5.0
79.05492	11.9
81.07039	32.2
82.25390	6.0
91.05473	31.1
93.07039	63.9
95.04948	77.2
95.08605	41.0
97.06525	10.6
98.98461	100.0
105.07012	49.2
107.05000	6.7
107.08575	27.4
109.06516	12.5
109.10159	13.3
112.31392	5.5
114.55763	5.7
117.07018	14.2
119.08582	60.2
121.06509	19.6
121.10136	32.4
123.08118	10.4
129.07030	7.7
131.08580	22.0
133.10149	39.8
135.08069	14.9
142.07782	11.6
143.08514	13.4
145.09154	7.5
145.10091	33.1
147.11725	11.2
157.10162	22.0
159.11711	28.8
161.09587	8.6
169.10120	15.4
171.11716	9.6
173.13351	9.6
173.86705	6.4
174.99219	7.5
175.14790	14.1
183.11688	9.5
187.14749	9.2
256.67874	7.6
295.78882	6.6
336.84891	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08276	3.8
55.05480	10.9
55.88520	4.1
57.03434	5.1
57.07062	5.4
58.85967	4.0
67.05490	37.0
69.07043	18.8
79.05482	15.6
81.07042	36.2
83.08609	7.8
91.05479	43.6
93.07030	59.7
95.04955	72.8
95.08586	52.9
97.06527	17.9
98.98459	100.0
99.64027	4.8
105.07022	50.2
107.08590	29.2
107.24147	5.4
109.06525	15.5
109.10160	18.9
117.06994	12.2
119.08571	48.0
121.06508	13.6
121.10145	21.3
123.08092	9.7
129.07025	13.8
131.08551	21.5
133.10141	28.8
135.11737	7.8
140.01109	9.5
143.08536	12.7
145.10110	29.8
147.11722	11.5
156.09386	5.6
157.10106	25.1
159.11678	23.7
161.09624	10.9
169.10094	9.3
171.11678	14.2
173.13271	9.8
174.99205	10.4
175.14809	9.8
183.11693	11.1
185.13341	6.5
187.14885	6.1
197.13361	5.8
199.14944	6.0
276.04721	5.8
327.23367	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92948	3.1
55.05516	16.6
57.03442	8.5
57.07079	13.6
59.23693	3.5
62.15920	3.4
62.31950	2.9
67.04966	3.5
67.05496	66.7
67.05827	4.1
69.07055	28.4
71.05005	6.2
71.08648	5.5
79.05489	20.8
81.07050	81.1
83.08642	15.4
91.05460	28.3
93.07036	20.8
95.08604	66.8
95.09160	6.2
97.06561	7.4
97.10188	7.7
98.98463	100.0
99.08096	5.4
100.27504	4.0
105.07049	17.4
107.08632	12.8
109.10144	32.6
111.08086	4.3
111.11710	4.8
113.09608	3.7
119.08613	16.9
121.10172	12.1
123.11737	12.4
127.11201	3.5
133.10141	14.4
135.11754	17.1
137.13324	9.1
140.01103	10.7
147.11751	13.2
149.13319	5.5
151.14830	8.5
161.13322	12.6
174.99309	11.7
175.14908	4.2
217.19421	26.3
235.20540	27.4
309.24548	10.5
327.25546	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	328.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97986	3.7
57.03397	3.7
58.73429	4.6
59.71238	4.1
69.03415	9.0
70.06571	15.2
79.05470	5.9
82.06587	4.7
85.02887	7.2
91.05465	11.3
91.64210	5.4
94.06556	4.3
97.02854	4.9
98.98472	12.1
108.08074	7.6
109.49046	4.2
121.06509	9.4
122.05990	5.8
123.04731	4.4
124.07601	6.1
134.05949	7.5
136.07635	7.2
137.06001	29.2
138.09164	5.9
148.03928	6.5
148.07599	5.5
152.07111	10.8
154.08577	10.6
162.05504	11.1
164.07053	17.7
166.08621	76.5
176.07097	11.1
177.57948	5.2
178.08653	14.1
180.06592	8.1
190.08646	14.7
194.08121	14.6
196.06384	13.5
198.07584	100.0
202.08606	11.2
208.05989	5.7
209.99107	5.0
218.08113	9.5
222.07619	9.5
224.93291	6.2
236.05673	5.9
236.09158	16.0
248.09081	8.2
262.06924	6.9
264.08627	9.7
282.09839	9.2
310.09186	79.2
310.12814	18.6
328.10229	53.2
328.14120	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	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	1.6
61.02918	2.2
69.03426	10.3
69.03719	1.7
69.22101	2.2
70.06586	5.7
73.02908	1.7
81.03403	5.2
85.02896	15.2
91.05428	2.5
93.07043	3.9
97.02935	4.4
98.98462	9.0
99.02240	1.9
111.04413	2.1
120.08107	7.9
121.06519	3.7
122.06033	2.4
122.09686	10.5
124.07592	2.9
126.00716	2.4
127.03932	3.2
134.06004	3.0
137.05991	4.0
138.09174	8.4
148.03955	3.3
148.07619	5.2
150.05566	4.5
154.08640	4.2
164.07057	2.7
166.08627	100.0
171.72704	2.8
178.08633	2.5
180.06554	2.9
182.02701	2.2
190.05243	2.2
190.08647	4.3
192.06532	3.5
198.07590	29.3
204.06682	2.1
208.05980	3.1
222.07658	3.5
236.09167	4.5
242.38989	2.3
310.09238	19.2
310.12799	4.1
328.10129	13.7
328.13971	11.1
333.78729	2.4
334.21036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1755
Annotation	Cropodine
Peak:m/z	Relative Intensity
50.30768	2.7
50.66290	2.4
53.15993	3.0
59.07920	2.8
72.24521	3.2
98.98456	100.0
100.02533	3.4
122.62487	3.4
140.01088	10.2
174.99231	6.9
176.98877	5.3
197.78651	3.8
253.00032	4.2
276.77942	4.7
287.15201	3.9
305.15793	27.0
323.16977	9.9
328.17532	96.0
329.17883	8.7
346.18646	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	328.1755
Annotation	Cropodine
Peak:m/z	Relative Intensity
52.27971	4.6
55.67412	4.9
56.96555	5.9
63.41283	5.2
67.96039	4.7
71.08592	4.7
93.07800	5.4
98.98459	100.0
140.01048	9.2
150.16928	5.8
174.99265	9.6
243.34644	5.4
294.19598	7.2
305.15945	12.5
319.20294	5.7
323.16980	9.5
328.17624	53.8
346.18631	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	328.1905
Annotation	Spirasine XII
Peak:m/z	Relative Intensity
59.90037	1.6
60.07037	1.8
70.62758	1.5
79.40177	1.7
90.32575	1.7
91.01193	1.8
93.07064	2.9
98.98460	38.8
103.05480	2.3
104.05010	2.0
106.06541	3.2
107.04949	49.3
107.07316	13.5
118.06525	3.3
119.07326	2.9
120.08109	7.3
121.06499	21.7
121.73864	2.1
131.07294	2.2
132.08076	11.6
133.08873	8.7
140.01079	8.5
146.09604	6.0
174.99287	4.4
188.14244	2.3
213.11418	5.2
226.12308	23.6
240.05573	2.3
240.13881	11.0
268.40677	2.6
282.18506	100.0
328.19000	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	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25019	3.4
55.05499	13.1
57.79206	4.4
62.26554	3.6
67.05476	4.3
67.40626	3.5
67.55870	4.2
69.07055	10.7
81.07045	9.9
83.08614	10.2
84.04496	43.1
91.05463	4.7
93.06996	7.3
95.08598	7.1
97.10180	6.1
98.98457	100.0
102.05542	19.1
104.99258	5.5
107.08575	6.3
130.05003	34.0
140.01083	13.8
148.06024	32.3
173.09407	4.9
174.99271	7.8
220.12775	5.2
328.21088	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	329.1107
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
52.35770	1.6
52.67064	1.7
57.03465	1.9
70.06601	8.2
70.78889	1.6
71.24516	1.9
72.08161	2.3
78.74199	2.0
79.05022	1.9
84.04527	2.0
84.08152	3.9
86.09721	4.3
93.94277	1.8
98.98460	100.0
107.05006	3.8
120.08094	2.9
129.10306	2.2
138.47943	1.8
140.01160	8.3
147.05692	2.0
174.99300	6.1
176.98985	5.7
214.74966	2.1
225.44608	2.0
268.68048	2.1
283.10168	2.2
311.10071	11.7
329.11081	63.4
329.14777	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	329.1495
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
60.04515	4.0
68.84027	1.1
80.32049	1.1
91.05495	6.4
98.98449	6.4
103.05456	7.6
107.04952	44.1
107.05684	2.3
107.07308	1.3
118.06537	1.6
120.08103	1.7
121.06510	11.9
130.06526	32.1
141.07028	2.9
159.06833	4.5
169.06583	1.3
169.10118	2.8
171.09213	1.5
172.07607	4.3
178.07802	1.5
179.08575	11.6
182.07275	3.5
188.07074	1.4
196.08850	3.6
196.11195	1.6
197.09604	4.4
206.09674	6.9
214.12193	1.3
216.10471	1.1
218.08224	1.4
222.09219	2.6
224.10690	100.0
225.11133	2.4
240.13870	1.7
248.10570	1.8
266.11768	8.2
270.11227	43.5
283.14389	19.2
284.12946	3.0
312.12305	3.6
329.14920	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	329.211
Annotation	Longithorol C
Peak:m/z	Relative Intensity
50.35172	2.8
50.76323	2.8
55.05500	10.4
59.09556	2.7
67.05491	19.8
69.07062	8.6
70.40224	3.4
74.90336	3.1
79.05481	15.0
81.07048	22.6
83.04948	4.6
91.05473	48.0
91.71651	6.9
93.07018	23.3
95.04984	9.9
95.08603	20.1
98.98460	100.0
100.12677	4.4
103.05411	4.1
105.07018	43.9
107.08585	10.9
109.10150	11.2
111.04456	3.6
117.07008	16.0
119.08577	33.3
121.10150	5.4
123.04404	4.0
129.06982	9.9
131.08563	23.3
133.10124	18.6
140.01065	7.8
143.08583	7.6
145.06512	5.2
145.10129	13.6
147.11697	11.4
152.45078	5.2
157.10117	6.7
159.08003	4.2
159.11687	13.3
163.25157	4.1
169.10103	5.0
171.11653	5.6
173.13245	11.3
174.99245	6.6
183.11748	4.2
213.16469	5.5
267.96759	4.6
306.99170	4.3
311.20132	8.0
329.21127	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.211
Annotation	Longithorol C
Peak:m/z	Relative Intensity
53.29840	3.8
55.05512	8.2
57.03426	7.5
66.99693	4.0
67.05489	20.3
71.13939	4.1
79.05469	15.0
81.07040	19.5
91.05453	33.2
93.07035	15.1
95.04967	4.4
95.08616	9.7
98.98457	100.0
105.07017	35.0
107.08587	8.1
117.07039	14.8
119.08563	21.7
121.83431	4.7
127.54005	4.1
129.07060	8.1
131.08568	14.6
133.10133	16.0
140.00978	7.4
143.08577	6.6
145.10149	15.9
146.71497	4.8
147.08092	6.4
147.11711	20.7
149.09630	5.1
157.09969	5.6
159.11694	12.3
161.09604	5.9
174.54803	4.3
176.98978	5.6
213.55066	5.4
239.14317	6.8
257.15442	7.0
301.21591	8.6
311.20108	7.6
329.20966	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	329.2473
Annotation	Grifolin
Peak:m/z	Relative Intensity
55.05498	31.2
57.07063	14.4
67.05481	9.6
69.07060	28.5
71.08632	9.5
81.07035	23.6
83.08598	53.2
91.05474	16.7
91.71648	13.8
93.07027	19.2
95.85695	7.0
97.10138	10.1
98.98452	69.6
105.07018	15.4
107.08591	14.4
119.08578	13.8
121.10188	9.0
124.92911	8.0
143.08575	10.4
145.10234	8.6
149.13313	14.7
185.13443	7.8
189.35359	7.4
201.48874	7.5
223.40884	9.2
329.24728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.5
56.05013	5.7
57.03430	51.0
57.07056	16.2
67.05487	7.2
69.07057	30.3
71.08608	6.1
75.04467	38.3
81.07038	5.7
83.08619	25.6
97.10172	16.2
98.06040	11.8
98.98462	100.0
111.11759	7.6
120.40683	5.5
121.10167	5.3
130.64465	5.3
140.01085	9.5
158.89552	4.3
197.05914	4.7
329.26880	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2683
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.80952	3.7
55.05507	29.9
56.05020	5.3
57.03428	50.5
57.07066	12.8
67.05485	5.4
69.07054	39.9
71.08612	7.2
73.51550	3.9
75.04465	50.2
76.34237	3.9
79.05493	5.3
81.07053	11.4
83.08598	30.7
83.61632	3.9
85.10159	4.0
93.07045	8.1
95.08584	8.0
97.10149	26.6
98.06050	7.2
98.98461	100.0
103.03931	4.9
107.08529	4.5
111.11735	7.0
121.10138	9.7
140.01065	11.0
151.06580	4.4
166.55779	4.6
174.99272	11.4
242.84210	4.5
243.49374	4.2
247.11574	4.0
279.53415	5.3
329.26892	55.7
346.32980	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	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.00303	4.1
53.93862	2.4
55.05504	30.5
57.03423	19.4
57.07070	20.4
58.27674	2.9
66.39780	3.2
67.05489	23.7
67.07030	2.8
69.07062	49.1
71.04976	3.4
71.08614	13.4
79.05485	9.8
81.07043	32.7
83.08604	33.1
85.10168	3.7
91.05461	4.5
91.71040	3.8
93.07034	18.7
95.08592	30.9
97.06536	11.0
97.10176	18.7
98.98460	100.0
103.16577	3.6
107.07906	3.3
107.08602	12.9
109.10152	11.9
111.08061	4.4
111.11716	6.6
121.10134	18.4
122.41241	3.3
123.11686	9.4
135.11699	14.6
139.11235	3.9
140.01115	15.7
140.02161	3.4
149.02342	3.8
149.13229	7.2
150.85492	4.1
173.73547	3.8
174.99193	5.1
186.12054	3.7
219.21121	12.6
237.22046	26.6
311.25760	16.7
329.26831	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	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57241	2.4
52.65540	1.9
55.05492	8.6
57.03160	2.0
57.03425	3.5
57.07060	3.8
67.05489	9.1
68.91497	2.0
69.07066	13.7
71.08643	3.6
75.33002	1.9
79.05448	3.3
80.05910	1.9
81.07048	11.8
83.08604	6.3
84.29575	1.8
91.05466	4.1
93.07030	5.4
95.04963	2.5
95.08585	12.6
97.06534	3.6
97.10175	5.4
98.98457	100.0
107.08573	4.7
109.10110	2.3
109.47723	2.1
121.10168	4.8
128.34731	2.1
135.11638	4.4
137.13190	3.0
140.01059	12.1
161.99637	2.1
163.49591	2.3
163.95441	2.2
174.99228	8.3
176.98915	3.7
203.24834	2.6
218.70987	2.3
219.21153	6.2
220.53897	2.4
237.22186	4.1
247.67964	2.1
268.48157	2.9
273.48593	2.7
311.25583	2.3
329.26852	6.7
331.34561	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	330.1336
Annotation	3-Epimacronine
Peak:m/z	Relative Intensity
54.86697	1.9
56.96574	2.1
57.45501	2.2
58.57300	2.2
58.89146	2.2
98.98450	16.3
99.44519	2.5
103.05494	5.7
107.04945	25.5
121.06499	3.1
144.08072	13.7
159.06892	3.5
160.01784	2.5
160.07637	3.7
168.21536	2.4
172.07552	19.3
179.08612	4.5
207.08096	10.5
225.09299	2.8
248.10670	35.0
266.11728	100.0
284.12820	5.8
312.12222	27.0
317.96283	3.5
330.12982	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	330.1335
Annotation	3-Acetylhamayne
Peak:m/z	Relative Intensity
56.88309	2.4
56.96551	3.3
58.50190	2.6
63.62726	2.8
70.04362	2.8
77.72997	2.7
83.18066	2.7
86.04166	2.4
91.05482	7.6
91.71617	3.7
95.04940	2.9
98.98456	22.6
100.74082	3.0
103.05455	7.4
107.04942	63.5
107.05595	4.7
107.07335	10.6
120.08133	2.7
121.06503	18.0
130.06526	27.3
141.06927	3.6
159.06804	5.6
179.08572	9.0
197.09625	5.1
206.09615	8.6
213.11501	4.9
224.10696	100.0
240.13799	4.1
241.13551	3.0
266.11774	10.8
270.11163	42.1
284.12714	30.1
312.12607	6.0
318.33435	3.3
330.13284	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.2
75.35670	6.8
85.98460	7.9
91.05476	88.4
94.51297	8.2
98.98470	59.2
107.07323	11.5
123.04449	24.8
137.05986	17.0
160.11157	11.1
161.12004	13.0
174.12770	11.7
280.71524	8.9
284.16449	100.0
296.25510	9.5
330.18076	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	330.1697
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
51.22993	1.6
56.61734	2.0
56.90833	1.7
58.68947	2.0
70.06584	22.4
72.08154	5.3
81.22057	2.0
84.04498	3.9
84.08141	13.4
86.09702	7.9
96.08090	2.2
98.98450	33.3
107.04946	95.8
107.05691	4.7
116.07087	10.2
129.10289	2.9
129.44096	2.1
130.59430	2.1
140.01192	3.5
148.76093	2.7
159.10414	4.2
160.11195	20.8
178.12260	42.1
206.11758	9.0
223.11996	6.2
224.12782	24.8
266.15347	15.7
330.16956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.17
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
50.73148	1.3
51.67845	1.3
70.06566	3.4
72.08138	4.5
84.08124	2.3
86.09694	2.2
93.07035	1.6
95.04946	2.6
98.98463	10.8
107.04949	89.6
159.10416	4.6
160.11195	14.9
173.80150	1.6
174.78531	1.6
178.12268	35.1
206.11737	8.5
220.50998	1.8
223.12025	6.4
224.12798	22.8
266.15372	18.5
280.32230	1.8
330.16962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	O-Acetylgalanthamine
Peak:m/z	Relative Intensity
55.02209	5.1
57.95751	5.1
61.95040	5.9
62.96069	4.9
72.08144	14.6
82.90508	5.3
91.05464	10.5
93.07024	8.5
98.98462	51.5
102.31022	6.3
107.04939	50.3
120.08087	6.4
121.06488	37.3
130.06534	14.0
133.08847	8.7
143.07350	7.0
146.09662	15.7
158.09680	19.5
160.13461	7.6
161.39807	7.7
190.13148	6.3
196.40282	5.8
218.25298	6.3
224.10583	7.7
226.12279	9.3
240.13867	22.8
252.13850	28.5
270.14850	100.0
284.13013	7.9
320.30356	7.1
330.17093	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.185
Annotation	Trifenmorph
Peak:m/z	Relative Intensity
60.14318	1.1
64.15541	1.0
65.03924	2.3
81.83836	1.2
83.08649	1.2
91.05472	100.0
91.71082	2.7
98.98462	3.1
105.07022	6.9
106.06482	1.2
133.06514	3.6
141.88731	1.2
165.07129	1.7
166.07741	2.3
181.10139	4.0
238.12250	9.3
330.18506	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.06851	1.1
57.07074	12.3
58.06559	1.1
60.02462	0.9
62.06084	1.0
62.97772	0.9
70.06590	19.8
71.08613	6.4
85.10168	2.5
88.07108	1.4
88.07626	24.4
102.09184	6.1
106.08666	12.8
113.34450	1.2
118.34569	1.0
214.11748	1.1
219.45508	1.1
252.45187	1.2
312.32623	7.3
326.32388	1.1
330.33633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43085	5.3
55.28496	4.8
56.96549	21.7
67.05479	16.6
69.93375	5.3
70.06577	7.9
79.61640	5.1
89.16393	6.6
91.05450	6.3
94.06551	18.0
98.98460	82.9
102.14638	5.6
104.04992	7.6
107.04948	18.7
116.15930	6.0
116.98618	7.1
120.04374	5.6
120.08107	7.1
138.05548	8.7
150.47830	6.6
152.07069	8.8
168.06602	32.1
183.03275	14.0
183.09219	18.6
184.09985	7.5
194.08095	15.9
197.10774	35.3
198.11452	8.8
206.04904	27.2
211.08638	38.7
212.09451	28.0
213.10078	7.6
225.10216	63.8
226.10974	20.7
239.08118	11.6
243.11266	12.0
246.04494	8.2
253.09734	8.7
257.12793	17.4
271.06372	11.6
271.10721	32.7
285.12268	92.6
286.12332	8.6
289.07629	8.7
312.09213	33.7
313.11823	100.0
331.12833	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	331.1749
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
51.21367	1.7
57.03407	2.1
57.07052	4.7
59.43870	1.3
67.05482	5.0
69.03421	8.4
69.07069	2.6
70.06574	2.4
71.04987	4.2
77.47668	1.6
81.07046	9.7
84.08124	1.8
85.02897	6.6
85.06536	15.8
85.13733	1.5
86.09699	1.5
95.04971	2.7
95.08591	3.3
98.98458	38.4
107.08598	2.6
109.06513	3.7
109.10139	13.3
111.08081	1.9
113.05986	4.0
115.58990	2.0
121.10134	6.5
123.11690	14.3
126.90855	1.7
127.24316	1.7
130.05086	1.7
139.11229	5.4
140.01006	4.1
151.11183	7.6
169.12216	100.0
176.99037	2.5
205.05934	1.8
336.15506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68669	0.5
65.03932	2.6
69.63702	0.4
79.05479	0.6
81.07024	1.0
90.91916	0.5
91.05476	100.0
92.05824	0.6
98.62922	0.5
98.98453	4.3
106.06572	4.0
107.08540	0.5
108.08109	0.7
112.11226	0.6
112.45039	0.5
119.02293	0.7
120.08085	1.6
127.94821	0.5
132.08116	0.6
140.01060	0.7
165.06999	0.6
166.07741	0.9
177.05479	0.6
181.10098	2.5
198.12752	6.0
224.33928	0.6
249.36842	0.6
261.99307	0.5
307.81302	0.6
331.18063	11.4
331.22122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28413	7.6
74.36121	10.2
94.58588	11.2
98.98461	100.0
105.07106	10.4
108.10526	11.3
115.22976	10.2
119.08649	11.4
125.02735	10.0
125.04267	10.2
154.27887	10.3
176.98817	12.8
181.35399	13.0
201.56236	9.9
205.63249	10.6
216.33119	10.0
242.38673	12.8
272.70181	12.5
331.13223	14.8
331.18942	75.4
343.67880	11.5
347.01361	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	331.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27921	8.3
55.05487	14.7
63.48228	7.4
67.05489	41.6
67.56345	9.3
69.07054	10.5
72.21465	9.8
76.71423	8.6
78.98022	8.1
79.05490	54.9
81.07050	44.1
89.30111	8.8
91.05473	34.0
92.85148	9.4
93.07028	100.0
95.04948	19.5
95.08592	29.4
98.98454	72.7
105.07035	30.8
107.08578	51.5
119.08597	11.4
121.10164	28.5
133.10104	13.2
135.11696	23.7
148.26680	11.2
176.20045	10.5
224.09393	11.6
331.22681	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	331.2266
Annotation	Jasmolin I
Peak:m/z	Relative Intensity
53.03946	5.4
55.05497	16.5
56.59044	4.3
57.07063	5.3
67.05508	26.9
69.07060	15.7
74.74733	5.2
79.05486	74.9
81.07045	36.6
83.08593	7.8
91.05476	49.3
93.07034	100.0
95.04945	16.0
95.08597	25.4
97.53283	5.0
105.07018	24.3
107.08582	53.4
107.10049	5.7
109.06494	6.3
109.10135	12.2
119.08566	19.9
121.10128	37.2
133.10141	16.6
135.11671	38.8
135.98363	6.1
145.10143	6.8
147.11688	7.1
149.13261	20.7
159.11755	8.1
217.29309	5.9
270.13538	5.8
273.25040	7.6
318.61914	5.8
331.22693	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	331.2265
Annotation	Jasmolin I
Peak:m/z	Relative Intensity
51.30577	4.2
53.00272	5.0
55.01859	6.9
55.05492	24.1
57.07065	6.4
59.46095	3.9
59.89236	5.7
65.03921	5.8
67.05497	83.2
69.07054	20.7
72.70954	4.2
79.05483	60.2
79.24978	4.3
79.37883	5.6
81.07047	78.3
83.04968	7.2
83.08646	5.1
91.05479	57.3
93.07035	93.7
95.04947	13.8
95.08597	75.5
96.58227	4.7
97.06510	9.6
97.10142	5.4
98.98463	22.7
105.07003	43.7
107.08593	56.8
109.06461	5.4
109.10145	33.9
113.02385	6.2
117.06969	10.8
119.08573	35.1
121.10141	50.8
123.11674	9.3
125.02322	6.7
129.06978	8.3
131.08580	15.7
133.10121	24.5
134.23190	5.7
135.08022	6.5
135.11716	35.4
141.06964	6.2
143.08589	10.4
145.10127	22.4
147.11661	15.8
149.13268	18.9
153.09109	8.4
157.10097	13.7
159.11703	15.4
161.13228	12.4
163.14833	15.8
169.10097	11.2
173.13249	6.8
175.14757	9.0
179.14355	7.8
183.11617	11.3
185.13419	5.8
197.13261	6.7
267.20911	7.4
285.27762	6.1
295.20593	8.4
313.21667	14.8
331.22717	100.0
331.33694	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	331.2841
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
53.00295	4.1
55.05507	12.4
57.03418	7.6
57.07070	100.0
57.07353	4.9
61.72063	2.2
64.14968	2.0
67.05499	25.2
69.07062	17.0
71.08624	63.4
71.16724	1.8
75.04476	2.9
81.07053	30.5
81.64010	2.2
83.08617	26.4
85.10176	36.0
95.08599	50.6
95.09158	4.6
97.10165	11.0
98.98443	9.1
104.16123	2.3
109.10146	21.6
111.11662	2.4
123.11714	9.2
125.13270	2.5
137.13255	4.1
151.14813	2.3
225.92020	2.9
239.23633	14.4
307.95483	2.8
313.27307	36.9
324.74832	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	4.2
53.40909	2.7
55.05503	8.3
56.55599	3.2
57.03417	4.3
57.07067	100.0
60.59466	3.3
63.91478	3.1
67.05500	29.3
69.07044	14.1
71.08250	5.2
71.08620	65.0
81.07056	33.8
83.08604	27.9
85.10173	33.0
95.08601	48.7
97.10147	10.9
98.98463	10.2
109.10158	23.8
123.11719	8.8
166.93329	5.1
239.23764	11.9
247.72504	3.9
313.27325	40.1
340.86612	4.2
353.64581	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	331.2842
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
50.14880	1.2
52.01885	1.1
53.00302	3.0
53.85853	1.1
55.05293	1.1
55.05509	12.6
57.03434	9.3
57.07071	100.0
61.49673	1.0
66.03712	1.3
67.05498	28.1
69.07059	19.9
71.08626	70.8
73.45155	1.3
74.06076	2.0
75.04473	2.4
79.05477	2.5
81.07052	43.7
83.08151	2.0
83.08612	24.8
85.06540	1.5
85.10175	34.8
92.10282	1.3
93.07033	4.5
95.08599	54.7
97.10169	11.5
98.98471	8.2
109.10160	25.2
110.87096	1.4
111.11672	3.4
113.13313	1.5
123.11703	10.1
135.27191	1.4
137.13286	5.2
151.14842	2.7
165.16394	1.6
172.54378	1.3
188.33801	1.6
239.23714	16.7
257.24915	1.9
313.27341	42.0
331.22580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.0
57.07069	100.0
59.94761	12.6
67.05481	28.3
68.39160	13.3
68.40514	11.5
69.07052	18.3
71.08612	55.6
81.07033	53.4
83.08610	37.3
85.10188	25.4
93.07064	17.3
95.08604	55.2
98.16110	13.4
98.98457	89.3
108.14544	12.2
109.10165	37.0
123.11720	16.0
128.52205	15.1
131.62070	16.4
313.27448	57.0
332.35062	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.7
57.07073	100.0
57.68878	4.8
62.27956	5.0
67.05490	33.7
68.66949	6.7
69.07075	20.9
71.08623	68.3
71.86759	5.3
81.07046	40.8
83.08633	20.8
85.10184	34.0
89.04964	6.2
91.71078	8.0
92.74207	6.0
93.07072	11.5
95.08601	57.1
97.10190	14.4
98.98448	39.6
107.08648	7.6
109.10190	26.7
115.51064	6.9
121.10185	7.7
123.11726	16.2
128.10703	7.2
140.01111	7.2
162.22342	6.8
183.78401	7.4
189.88875	6.6
239.02588	6.9
239.23682	16.0
289.96841	7.3
313.27335	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31950	7.9
61.02901	13.0
63.01664	8.5
67.50122	8.6
68.80923	10.7
69.03407	21.6
71.04986	12.8
71.36842	10.5
75.84328	10.1
81.03409	18.7
85.02904	100.0
86.09695	29.1
97.02860	9.9
98.98463	16.4
107.04967	37.0
107.30974	10.4
108.73914	10.8
109.02843	15.4
111.04440	11.0
123.04458	18.7
127.03960	25.7
135.04425	42.8
137.06004	21.5
145.04985	38.0
153.05518	38.4
195.25929	11.9
288.04282	13.9
297.09592	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	332.1492
Annotation	Stephabyssine
Peak:m/z	Relative Intensity
55.01859	4.3
57.03419	6.7
57.07060	3.8
60.04506	7.4
67.05499	6.3
69.03403	12.2
69.07043	8.3
70.06570	11.5
71.04964	5.7
72.08124	5.6
74.36809	2.4
75.04452	3.5
81.07030	9.7
84.04513	2.9
84.08141	5.5
85.02897	22.0
85.06548	18.0
86.06844	4.6
86.09694	32.2
87.05589	3.3
88.07616	3.3
98.98474	6.7
99.04441	3.8
107.08585	7.4
109.10110	9.4
110.10493	7.0
113.05982	4.2
120.08053	4.5
121.10101	4.2
121.33957	2.9
123.11689	10.7
124.12048	9.6
128.07033	3.6
129.00343	2.7
129.07011	2.9
151.11140	2.9
169.08549	4.9
169.12213	61.3
170.12579	69.4
173.12880	17.2
191.49651	3.3
198.05553	2.9
200.07237	3.2
201.12334	6.8
218.11801	20.1
232.09642	10.3
244.13274	8.1
246.11243	45.1
248.12758	19.2
272.12854	11.8
274.10757	24.0
286.14383	27.6
290.13843	7.6
314.13852	29.0
332.14847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49471	2.6
56.05017	3.1
57.07070	25.4
72.08147	100.0
74.06093	3.6
76.64046	2.3
79.79555	2.3
81.07041	3.0
83.02125	2.8
83.78558	2.2
88.07615	6.7
98.98452	3.8
107.04935	25.4
113.05930	2.4
113.47199	2.5
114.09151	3.6
152.71260	2.6
154.63914	3.1
163.11169	10.0
166.45619	2.5
171.57463	2.6
219.17485	3.6
219.53444	2.5
220.13310	74.0
276.19553	70.5
284.29581	4.9
318.56207	3.2
332.25861	47.5
332.31577	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	332.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.8
57.07058	3.6
60.04517	100.0
67.05489	11.0
69.07054	23.1
77.84677	3.4
79.05486	6.7
80.81956	3.6
81.07047	63.2
83.08606	8.1
85.22684	2.7
91.05470	6.8
93.07030	17.1
95.08594	28.5
98.95147	2.8
98.98469	3.6
105.07040	10.7
107.08581	13.8
109.10137	16.1
119.08561	8.6
121.10131	33.0
123.11732	7.5
133.10133	6.5
135.11737	7.0
136.94029	4.5
137.13245	5.0
147.11688	10.9
149.13261	22.2
161.13280	10.7
189.16393	4.4
194.65459	3.2
197.05286	3.5
203.17987	4.3
214.12390	3.1
238.68756	4.0
264.73825	3.7
273.25742	23.0
278.04007	3.9
326.75000	3.2
326.78958	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	332.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.7
60.04515	100.0
67.05502	7.7
69.07059	24.8
71.17996	4.5
76.15098	3.9
81.07043	55.4
81.85159	4.5
83.08593	6.3
91.05466	8.4
93.07046	22.7
95.08585	21.3
97.29790	4.7
98.98444	6.7
99.03643	4.6
105.07021	11.4
107.08577	11.6
109.10175	12.8
119.08577	10.8
121.10118	36.0
123.11733	6.0
147.11691	5.4
149.13274	14.1
161.13321	6.5
185.61774	5.7
188.18283	4.9
189.16458	6.1
189.60715	5.3
202.62296	4.8
220.11954	4.6
239.97366	5.3
267.30078	5.7
273.25781	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	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	16.1
57.07056	14.5
58.06589	12.5
58.68267	2.9
60.04525	4.1
61.41877	3.3
71.08620	6.6
73.88346	3.3
74.06065	17.7
85.10168	6.1
88.07621	60.3
98.98449	5.4
102.55189	3.3
111.13701	4.1
118.08650	10.1
122.08118	11.9
128.37674	4.0
129.80212	3.5
136.34222	3.7
138.03258	4.2
169.21799	3.7
284.29358	32.0
332.31577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35082	55.7
57.07082	51.3
60.54401	54.0
61.69756	50.9
64.07497	54.0
67.05859	61.0
73.81831	74.6
78.57304	70.1
88.07606	94.2
98.98425	89.9
109.42570	69.6
125.41194	82.5
130.66278	100.0
149.26782	73.1
265.35153	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89402	0.7
56.96555	2.3
70.06580	3.6
72.08144	3.9
72.94789	1.0
84.08157	2.5
86.09689	2.2
91.05469	2.7
93.07053	4.5
95.04954	2.4
100.07613	4.4
103.05463	3.2
109.49892	0.9
114.09148	1.3
121.06499	100.0
122.06861	1.1
124.86206	1.1
136.07603	1.4
138.09131	22.6
150.05513	2.2
151.68275	1.2
152.03758	1.5
152.07047	2.0
156.93872	1.1
178.05022	1.7
189.00778	1.1
196.06369	31.1
198.00781	1.1
216.01823	1.1
333.14499	1.9
335.52792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	8.8
57.07060	9.5
62.34642	7.5
67.05482	23.2
69.07049	13.4
72.93752	12.5
77.36121	8.6
81.07025	25.8
90.72021	7.6
90.94813	9.2
91.05478	16.1
93.07021	18.0
94.17407	7.7
95.08604	22.6
105.07041	16.2
107.08598	15.2
109.10121	11.4
119.08610	11.5
121.10130	22.3
125.59013	11.4
125.60725	9.4
133.18279	8.3
139.31967	8.2
149.13289	12.4
171.11696	8.7
178.39027	7.8
195.16600	8.0
228.37730	8.6
241.74387	9.9
289.88278	11.2
311.13397	9.7
315.23105	11.1
329.12170	9.4
333.15152	100.0
333.23941	11.1
333.27560	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	333.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	6.3
58.06600	6.9
62.98252	65.2
64.89527	7.0
66.28546	6.5
71.64407	7.7
91.05480	22.1
116.54874	7.2
120.98760	33.8
131.00409	7.6
149.02318	14.1
184.85600	9.2
229.79826	8.0
305.56458	8.8
328.71167	11.0
332.32986	10.3
333.19989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78097	7.2
55.05517	9.1
58.06594	14.4
58.26351	7.8
62.98248	61.0
63.14394	7.6
67.05521	19.7
81.07065	21.6
91.05464	55.7
91.71600	12.8
93.07059	8.8
95.08640	18.9
102.82623	9.3
105.07061	18.9
119.08612	9.7
120.98738	57.0
333.20178	100.0
333.23972	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87901	33.7
107.08580	41.0
162.21767	45.3
191.16240	47.2
212.11963	44.9
333.20428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10029	5.5
58.38325	5.5
63.52364	5.7
67.05493	5.9
72.06232	6.5
85.51552	6.3
93.07072	7.0
93.11659	6.2
126.58503	7.9
184.37164	6.4
211.91820	6.5
216.73277	6.6
227.53806	7.5
333.16913	11.0
333.20416	100.0
333.24240	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	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.9
55.05511	24.0
56.96571	14.8
60.05689	10.4
67.05497	69.2
69.07072	38.5
79.05505	45.3
81.07050	100.0
85.14413	13.0
91.05470	81.3
93.07018	77.8
93.41662	13.7
95.04971	23.4
95.08624	42.8
98.98495	23.8
103.81480	12.2
105.07038	76.5
107.04930	21.3
107.08569	32.5
109.10197	40.3
117.07062	31.9
119.08639	42.9
121.10133	35.0
129.07043	25.8
131.08612	49.1
133.06544	19.9
133.10176	35.0
135.11787	12.8
140.96339	16.0
143.08597	27.8
145.10185	45.7
149.31465	15.1
152.90283	13.4
157.10191	16.5
171.11739	32.0
217.75116	15.0
287.20261	17.6
297.18658	17.0
333.20743	29.2
333.24350	15.2
356.45645	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	333.2422
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
55.05496	6.4
55.05733	1.5
57.03424	2.4
65.03927	2.6
67.05496	100.0
69.07065	8.2
79.05487	8.8
81.07048	90.3
83.08615	4.4
89.34279	1.5
91.05480	7.0
93.07042	16.1
95.04930	2.1
95.08598	66.3
97.06504	1.8
97.10152	1.7
105.07034	5.1
107.08605	8.0
109.10152	35.1
109.10861	2.5
117.07006	3.2
119.08585	5.5
121.10162	6.8
123.11700	22.7
125.02430	1.6
129.07036	1.7
131.08580	3.6
133.10135	5.4
135.11650	7.7
137.09590	1.7
137.13260	6.2
143.08594	2.1
145.10155	4.4
147.11714	2.0
149.13266	3.4
159.11710	2.4
161.13303	2.5
173.13174	1.8
185.13333	2.2
187.14735	1.9
259.20590	2.0
289.25266	2.3
315.23251	6.8
333.24207	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	333.2423
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
55.05507	13.6
58.14697	13.9
67.05494	26.8
69.07051	17.4
81.07043	44.1
83.04965	23.4
83.08574	11.7
91.05478	46.6
91.70953	12.9
93.07031	25.8
95.04957	17.0
95.08588	52.0
105.07034	24.5
107.08602	22.4
108.11812	14.1
109.06527	25.0
109.10160	19.8
121.10120	39.3
123.08086	48.0
123.11708	18.6
133.10158	17.2
135.08044	95.4
135.11635	17.1
170.36079	15.2
173.13344	17.5
175.14786	24.1
189.12691	24.6
205.15930	28.0
259.20413	77.3
273.22144	42.8
301.21555	100.0
319.22702	48.7
333.23831	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2422
Annotation	ent-Yahazunol
Peak:m/z	Relative Intensity
52.85791	1.6
55.05502	8.8
56.70200	1.6
57.03427	1.9
62.35194	1.9
63.24262	1.5
64.69964	1.7
64.80865	1.5
65.03953	2.7
67.05496	100.0
69.03447	1.8
69.07082	6.6
79.05488	12.7
80.80127	1.6
81.07050	96.6
83.05024	2.3
83.08627	6.8
91.05479	10.2
91.71043	2.8
92.19872	1.7
93.07040	14.6
95.04975	3.7
95.08597	70.2
105.07049	8.5
107.08624	7.8
109.10162	27.3
114.72655	1.8
117.07013	2.8
119.08607	4.0
119.86417	1.8
121.10152	6.6
123.04493	2.2
123.11707	14.4
125.02423	2.5
129.07036	3.6
131.08621	4.7
133.10147	3.5
135.08072	2.3
135.11748	4.5
137.09708	1.8
137.13315	6.7
145.10158	2.9
147.11719	4.0
149.09750	2.6
149.13348	2.5
157.10188	3.0
159.11670	3.2
163.14836	2.1
168.80215	2.1
173.13303	3.8
177.16408	2.3
185.13211	2.2
185.72110	2.0
199.14821	3.0
217.19742	2.4
289.25235	2.2
315.23215	5.4
333.24203	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	333.2422
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
51.02565	8.0
55.05489	13.5
57.03427	19.9
67.05504	87.9
69.07081	15.4
79.05477	36.8
81.07042	100.0
83.08603	12.2
86.21263	10.3
91.05473	34.3
91.71024	9.4
93.07020	60.4
95.04934	9.9
95.08596	69.2
105.07033	27.3
107.08585	36.4
109.10164	33.7
110.20034	10.2
117.07016	11.3
119.08592	11.7
121.10149	38.7
123.11730	16.9
131.08559	21.2
133.10126	17.7
135.11710	50.7
141.23039	11.9
145.10085	14.3
147.11658	15.6
149.13275	27.4
156.12581	9.7
163.14815	11.3
297.22256	12.9
315.23178	25.9
333.20639	15.9
333.24158	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	333.2422
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
55.05512	7.3
57.07072	2.3
62.97683	1.5
64.52445	1.4
67.05498	13.8
69.03442	1.5
69.06744	1.5
69.07041	8.1
71.08641	5.1
73.58122	1.4
79.05500	5.4
81.07049	20.7
83.04966	22.0
83.08627	3.7
84.32202	1.3
91.05500	7.0
93.07066	7.9
95.04984	7.6
95.08603	22.1
98.98474	2.6
99.08105	3.3
105.07055	8.2
107.08591	13.9
107.48937	1.5
109.06521	5.4
109.10160	9.5
110.52311	1.6
111.08113	1.9
117.07027	3.2
119.08585	10.4
121.10132	15.8
123.08081	15.5
123.11744	5.5
129.07031	2.2
131.08591	3.4
133.10123	9.1
135.08049	47.8
135.11705	4.0
137.09634	3.4
140.63744	1.5
143.08624	2.4
145.10175	4.9
147.08032	1.8
147.11728	6.5
149.09676	5.0
149.13272	2.6
151.11194	3.6
159.11717	4.0
161.09665	5.7
161.13284	5.0
163.11241	2.8
163.14909	3.2
171.11717	3.3
173.13295	2.5
175.11189	13.9
175.14874	6.0
177.12782	3.8
177.16418	3.8
185.13350	2.3
187.14809	2.7
189.12735	31.9
189.16393	3.2
199.14835	4.2
203.14302	11.8
205.15974	6.6
241.19711	2.3
259.20590	22.2
273.22086	64.9
301.21594	100.0
319.22754	3.7
333.24146	11.1
334.08542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	2.7
56.96576	2.5
70.06577	8.7
72.08140	5.7
73.60342	2.1
74.02401	2.3
83.27724	2.2
84.04489	39.4
84.08134	3.0
86.09690	5.9
86.24200	2.1
91.05482	3.5
97.14491	2.1
102.56796	2.1
110.07110	2.3
118.06532	23.5
130.04985	7.5
130.06534	5.8
132.08112	6.7
137.05962	2.3
141.93721	2.2
143.07301	3.6
144.08080	15.9
146.05995	74.6
159.09200	16.5
170.06036	3.9
181.52672	2.2
188.07048	100.0
200.22060	2.8
205.09689	22.1
225.10243	7.9
308.46680	2.6
334.13687	5.3
334.67426	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95177	0.9
59.38675	0.9
63.67130	1.0
65.03928	3.0
70.97903	0.9
91.05465	25.1
91.06023	1.6
106.42331	1.0
119.04922	11.6
137.05965	100.0
154.08609	26.2
233.00995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.7
58.95795	2.1
61.02894	3.1
61.55442	2.2
69.03414	10.0
70.06580	5.6
80.59093	2.2
81.03419	6.6
84.04480	3.2
85.02901	33.8
86.09679	3.9
88.30759	2.5
91.05460	11.7
97.02863	5.3
98.97552	3.6
109.02885	3.3
116.98605	3.3
119.04967	6.0
127.03961	4.7
137.05971	100.0
140.00171	5.9
145.05011	4.1
155.07018	5.8
167.62283	2.9
200.02299	5.1
262.29279	2.9
262.71896	3.1
263.09329	3.5
288.03860	4.0
340.20663	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1647
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
51.49768	1.8
53.33474	1.9
54.37292	2.2
56.05011	3.0
60.04516	2.4
61.38710	1.9
67.05482	3.0
69.56419	1.9
70.06576	9.5
73.03931	2.6
81.07083	2.6
84.04488	3.9
84.08119	2.9
86.09686	3.8
88.07625	8.3
93.07021	5.2
95.04935	2.3
105.07085	2.4
107.04936	3.9
116.07129	3.1
117.89577	2.2
128.52281	2.4
137.05882	2.6
143.04877	2.4
156.08093	2.6
158.09619	2.7
158.56679	2.4
162.05515	11.9
164.07146	3.1
184.07547	4.1
200.07213	3.7
202.08710	2.6
203.01198	2.5
208.09633	8.1
230.11810	5.0
232.09802	4.2
247.89424	2.3
248.12849	8.0
256.05997	4.6
292.36063	3.3
316.15570	9.1
334.16455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1647
Annotation	Seneciphylline
Peak:m/z	Relative Intensity
68.07497	0.9
69.07068	1.0
70.06602	1.2
84.04488	1.4
91.05480	1.3
118.44321	1.0
121.06485	1.5
123.04436	1.4
124.05178	1.2
132.04459	3.7
132.08093	2.4
137.05927	1.2
146.05988	2.7
150.05476	9.2
152.06978	2.0
158.53825	1.0
160.07637	2.8
162.05414	1.9
164.07111	4.8
165.07878	4.4
166.08618	9.1
172.61090	1.0
178.08554	5.9
180.10187	10.8
193.07413	1.5
206.08255	1.0
208.09677	100.0
209.10210	1.2
316.15430	10.7
334.16489	29.9
334.25668	1.1
354.86603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1801
Annotation	(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol
Peak:m/z	Relative Intensity
52.53464	0.6
59.44525	0.6
62.63203	0.7
65.65962	0.7
79.69794	0.8
86.32400	0.7
91.05472	7.5
93.07037	13.0
94.05708	0.7
95.04964	4.8
96.67944	0.8
103.05450	8.9
105.04475	1.0
118.06566	1.0
121.06500	100.0
143.61398	0.7
268.80920	1.0
279.91559	0.8
297.42056	0.8
334.18008	4.8
334.29355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.9
55.56343	6.6
57.07063	19.6
63.31432	7.0
67.05485	27.5
69.07075	10.0
71.08611	20.0
72.04507	100.0
76.49247	6.6
81.07046	34.0
93.07037	21.9
95.04959	29.4
95.08601	26.0
105.07004	7.7
107.08588	9.4
109.06512	27.0
109.10161	14.3
111.52542	7.2
114.09167	17.7
119.08659	9.1
128.52783	7.7
165.12735	71.3
167.09235	8.8
178.74742	7.6
204.79541	7.2
208.33827	7.9
236.20103	34.6
268.77890	8.3
274.15918	8.5
280.48886	9.6
289.65564	8.3
295.11337	8.1
315.35837	8.8
328.09943	9.0
334.27258	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48790	4.3
55.01867	6.9
57.07064	10.1
66.64427	4.4
67.05488	15.1
69.07067	9.1
71.08619	16.9
71.51389	4.7
72.04507	85.1
73.04044	4.6
81.07056	23.6
91.05489	7.2
93.07030	11.4
95.04963	23.9
95.08595	27.9
97.06477	4.6
105.07018	12.6
107.08592	13.6
109.06535	25.0
109.10162	7.5
113.48505	5.6
114.09142	13.6
114.48817	7.0
116.67561	4.8
119.08616	10.9
128.10779	6.4
129.91699	7.6
131.08604	7.7
133.10143	5.0
139.30914	5.9
140.13634	6.2
141.43558	6.1
165.12732	100.0
168.13736	5.9
182.15326	12.2
191.14371	11.4
197.24562	5.3
212.16458	6.3
220.16980	12.9
236.20062	37.2
271.20636	7.7
295.68277	6.6
316.25897	7.6
334.27417	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	15.2
57.07077	13.8
62.82116	10.9
67.05485	15.0
68.29202	10.5
69.07059	13.9
69.85664	12.3
70.47807	10.1
71.08616	20.9
72.04507	99.1
81.07040	29.8
91.05462	21.3
93.07055	25.6
95.04954	24.7
95.08595	12.5
99.63025	11.8
105.07027	11.5
107.08611	21.8
109.06532	40.7
111.70274	11.7
114.09177	29.1
119.08497	10.7
131.08644	14.1
142.12247	13.1
145.87862	11.5
165.12749	100.0
182.15341	13.2
191.43689	14.0
221.42863	13.5
236.20140	33.1
334.27298	63.2
354.79633	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	62.8
57.69869	4.7
61.39138	4.4
63.10482	4.1
63.55235	4.5
70.36774	4.5
72.96653	4.7
74.09709	98.8
74.10093	5.3
88.07633	5.6
107.04940	88.6
107.05571	7.3
112.19217	5.1
116.10774	5.9
158.38663	6.2
163.11240	13.4
170.29231	7.0
174.23795	5.9
222.14882	100.0
222.16861	8.9
231.01349	5.9
278.21130	98.8
278.23856	8.2
290.28806	5.8
334.27521	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	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36798	12.8
57.07034	13.0
65.87928	12.9
72.04504	91.2
81.07053	37.0
85.44687	17.2
93.07025	28.3
95.04952	28.2
95.08587	17.9
98.57536	14.1
105.09971	14.1
107.53186	15.3
109.06520	42.4
114.09176	24.5
119.08602	16.6
119.64430	14.8
122.27667	15.6
149.59167	18.2
149.91624	16.5
165.12714	100.0
186.25044	17.0
229.31958	17.5
236.20169	30.7
238.98730	19.6
334.27338	54.3
346.37753	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68349	4.0
60.02298	4.9
78.33293	4.5
81.07053	7.5
82.49477	4.8
88.07606	5.9
88.15790	5.1
89.44441	5.2
91.05464	17.2
93.07045	19.4
95.04988	6.8
98.97577	7.4
103.05464	22.7
105.06986	5.5
117.07011	11.3
120.08196	5.6
121.06503	100.0
131.04913	30.9
137.05974	7.5
145.06468	13.1
149.05983	52.0
151.07550	12.8
158.01375	5.6
159.08075	5.8
163.07539	16.0
177.09122	11.4
182.66469	5.4
226.12259	9.4
334.08313	10.9
334.18091	15.5
334.27206	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66970	0.6
54.59411	0.6
55.05469	0.6
56.05032	6.5
56.96543	1.3
57.06800	0.6
57.07065	7.3
58.06593	13.9
60.04519	3.1
65.78703	0.5
66.03533	0.6
69.07043	0.9
70.06582	1.3
70.66358	0.5
70.68423	0.6
71.08620	3.4
72.08153	5.5
74.06068	7.9
75.95038	0.6
78.82919	0.6
79.74863	0.7
85.10161	1.5
86.06055	6.2
88.07623	55.1
89.06002	0.9
93.97585	0.6
100.07622	2.0
102.09156	0.8
104.07112	5.2
118.08624	1.2
119.30029	0.6
121.06538	0.7
130.08643	0.8
132.10191	10.5
134.08101	0.6
140.00224	0.7
162.11237	4.3
166.10709	4.2
169.76375	0.6
183.83989	0.6
210.22113	0.8
242.24771	32.0
243.25302	0.8
254.24767	1.2
286.27380	12.1
304.35739	0.7
316.28366	1.7
334.08142	1.0
334.29474	100.0
335.29733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59659	3.1
56.96559	6.1
57.07067	7.8
58.57616	2.5
59.13530	2.7
63.67369	2.8
68.82394	3.0
70.06577	23.8
70.57032	2.7
71.61469	2.7
86.88280	2.6
88.03323	3.2
88.07597	15.8
98.47065	2.9
98.97610	4.1
103.82145	3.2
114.09177	11.3
124.05217	3.2
132.10196	34.6
137.05930	3.8
140.00243	4.9
158.01257	5.4
176.12788	7.6
181.02846	4.5
228.23349	5.5
252.85092	3.5
288.27133	3.3
315.37634	3.8
334.29483	100.0
340.28400	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	10.0
58.06581	3.3
67.86885	2.0
70.06236	2.8
70.06582	32.4
72.08126	3.0
76.23565	2.8
80.57729	1.8
84.08107	3.7
86.09695	5.0
88.07621	11.4
91.88943	3.0
95.05742	2.1
102.09176	4.4
120.19360	2.1
132.10170	10.1
146.11765	8.3
186.67564	2.5
228.23256	11.4
272.25815	39.4
273.26529	2.4
329.64954	2.2
334.29492	100.0
359.82428	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	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88705	4.7
55.05508	33.5
63.36162	4.2
67.05510	13.1
68.52012	4.5
69.07083	18.7
69.90019	4.6
70.06599	20.5
72.08148	100.0
72.30716	4.3
78.20503	5.1
81.07051	12.5
91.38110	4.9
91.71722	12.3
95.08657	8.6
97.18967	5.4
98.06043	69.7
109.94507	5.5
136.10365	5.0
140.10689	9.1
142.39362	5.5
170.19868	5.8
259.17526	8.4
334.31006	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	35.7
61.76426	3.3
63.65523	3.2
67.05492	7.9
68.40491	3.6
69.07056	15.1
70.06573	18.0
71.12001	3.4
72.08144	100.0
73.71421	3.8
81.07047	12.5
83.08622	7.4
91.71005	6.8
95.08595	7.2
96.89926	3.7
98.06055	67.6
140.10738	5.6
154.12315	5.9
168.13829	6.5
334.30969	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19718	2.9
56.96559	23.1
61.09112	3.4
67.05489	6.4
68.43412	3.4
70.06583	6.2
70.98094	5.1
72.08130	7.3
81.16695	3.4
84.04472	6.7
86.09722	4.7
86.93520	3.6
98.97579	100.0
101.47038	3.8
111.97169	3.9
116.98601	37.7
119.27437	4.5
123.05570	4.5
134.99670	12.2
138.05521	14.6
140.00175	70.1
156.06535	9.3
158.01216	25.8
158.99675	7.0
170.01263	4.9
176.83609	4.3
177.00722	19.3
181.02817	24.8
183.49872	4.6
195.01822	11.6
198.00638	6.0
200.02280	72.9
218.03290	23.5
219.01781	4.1
241.04909	20.6
247.01208	12.5
251.88095	4.6
253.02184	5.4
258.02780	19.5
276.03806	11.0
288.03867	45.1
299.05405	5.7
335.12930	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	335.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83524	1.9
63.33516	2.0
82.01424	2.6
91.71584	4.6
97.94434	2.5
118.03526	8.0
123.04008	3.4
129.05092	12.2
130.03554	3.0
131.01833	2.9
136.04543	7.8
141.05066	6.9
147.06155	6.2
152.06689	10.9
153.05132	4.8
154.03539	4.8
159.06169	8.1
160.48756	2.8
161.34456	2.8
164.06683	6.4
165.11742	2.7
168.70583	3.1
170.07755	5.3
171.06189	3.5
172.04584	7.5
173.04109	7.9
176.06662	2.9
180.01442	3.6
191.05138	5.3
195.06169	15.6
196.05692	31.1
214.06834	4.7
215.05110	100.0
227.05125	39.2
237.08369	5.2
239.05080	3.7
245.06320	11.1
256.07758	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.2
57.29050	2.5
69.07047	3.3
70.06580	22.4
72.08140	7.4
84.04501	4.2
84.08151	3.9
86.09666	4.0
87.87215	2.4
116.07098	3.9
118.06622	5.1
120.08144	3.1
129.10251	3.2
134.06062	4.2
152.27184	2.8
152.68404	2.9
188.07161	3.5
198.09085	4.1
201.10242	7.7
215.08144	4.5
225.91011	3.1
227.35785	3.5
228.10242	3.5
229.09767	9.3
243.11282	6.4
251.47949	3.3
257.09180	17.2
271.10822	11.2
296.85226	3.4
299.10248	11.6
317.11298	100.0
335.12350	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66402	2.6
52.19492	3.0
70.06573	8.3
83.14274	3.1
84.08099	3.9
84.59556	3.3
86.09714	3.6
88.86569	3.2
89.47961	3.4
91.71134	3.5
117.21385	3.7
118.57286	3.2
129.07043	5.2
133.39641	3.5
134.74315	3.7
136.07632	4.6
155.34357	4.0
156.08223	6.0
172.07645	8.4
173.10719	6.1
175.08733	4.8
184.07684	11.3
186.09219	4.5
186.70041	3.9
187.12428	5.0
189.10249	8.9
198.09210	13.0
200.07120	11.4
200.09239	4.1
201.10359	14.5
215.11908	16.2
217.09839	5.4
226.08774	6.5
227.08257	10.9
229.09654	26.8
233.86578	5.5
243.11342	30.7
245.09233	22.3
253.09796	5.9
257.09326	7.2
259.10855	7.8
271.10757	100.0
271.13470	6.6
281.09338	11.5
287.10287	30.4
289.11978	11.8
295.27750	4.1
299.10233	24.2
305.11566	7.0
317.11392	12.7
335.12198	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	335.1864
Annotation	Juruenolide C
Peak:m/z	Relative Intensity
53.85271	1.0
54.03449	4.6
81.04533	100.0
82.05321	2.6
91.05450	1.7
97.95168	1.4
109.10116	1.3
110.07131	2.1
116.10700	1.4
117.89943	1.5
120.08068	4.0
121.06517	3.9
122.06283	2.5
122.07140	37.7
123.07928	16.7
127.73606	1.4
214.12228	1.8
227.12778	1.7
228.13660	2.4
335.18597	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	335.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78894	0.7
56.96553	1.5
64.39742	1.0
66.34007	1.0
70.94846	0.9
73.35783	0.9
73.62432	0.8
82.81703	0.9
86.09698	45.2
91.05473	1.8
93.07047	2.1
103.05446	3.8
107.04941	1.4
120.08096	100.0
121.06506	5.7
128.10701	14.4
131.04866	1.8
151.66273	1.1
156.10225	2.4
163.07513	2.7
169.01773	1.3
180.10175	44.8
230.93269	1.0
289.07803	1.3
312.09109	2.6
335.10736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
73.12214	29.0
75.52890	26.6
76.04079	26.4
125.01593	38.8
232.16579	43.6
257.53705	38.2
257.79767	35.8
288.00189	40.2
300.17944	38.2
335.21930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	(+)-Phomactin F
Peak:m/z	Relative Intensity
52.90202	11.2
55.05514	22.8
58.92509	10.2
60.57039	11.5
67.05502	61.9
68.98177	10.0
69.72277	10.4
70.07890	9.4
70.79013	12.1
79.05477	71.7
81.07048	60.0
91.05467	100.0
93.07030	99.3
95.04983	20.4
95.08616	41.0
105.07018	80.1
107.04926	14.0
107.08611	61.3
109.06506	13.2
117.07052	13.2
118.06427	12.6
119.08577	49.5
121.06490	12.8
121.10158	35.3
127.03870	11.3
129.01869	10.8
129.06987	17.7
131.08554	31.2
133.10159	45.6
133.12541	12.2
135.11679	17.7
143.08511	14.5
145.10138	37.0
147.11681	24.8
151.25691	13.0
151.70467	11.4
155.08575	18.5
157.10255	18.0
159.11777	18.5
165.22908	10.6
169.10178	20.8
183.11635	14.6
187.14902	17.5
197.13301	12.8
199.80939	10.8
236.49467	11.9
239.18018	29.8
246.67842	12.3
267.17493	17.5
285.18637	29.4
303.19537	40.2
335.21899	22.9
343.58740	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	335.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12596	13.3
55.05507	26.8
59.91805	15.1
67.05495	100.0
68.11339	14.3
69.07065	33.1
73.10157	13.1
79.05485	77.7
81.07042	84.3
91.05451	84.7
93.07040	82.1
95.04964	16.2
95.08605	57.5
105.07035	55.8
107.08588	53.8
107.79249	15.0
109.10156	27.8
117.06999	40.5
119.08567	46.5
121.06442	28.4
121.10155	30.7
123.08079	22.9
129.06998	33.5
131.08577	56.8
133.10161	25.8
147.11636	22.2
171.11659	21.5
175.38924	18.6
184.98183	21.0
189.12921	18.5
215.14281	32.2
252.05617	18.7
281.56354	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43457	23.3
67.05494	76.8
74.17178	27.9
81.07034	92.9
91.05458	79.9
91.75411	31.7
93.07027	73.4
94.16193	29.3
105.07024	100.0
105.80411	26.9
107.40369	24.5
109.10086	37.8
109.40672	27.8
119.08553	92.5
131.08548	82.4
133.10136	86.9
135.11684	39.2
142.63599	27.9
143.08502	38.9
145.10094	51.5
157.10118	60.0
170.05351	30.4
173.13193	39.4
192.19865	33.9
199.14857	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	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81997	10.8
55.05503	21.2
55.80891	13.1
57.03424	23.2
65.44260	12.3
65.80376	10.8
67.05495	100.0
67.50970	10.7
69.07037	27.3
70.24526	12.0
73.95492	11.0
79.05475	31.9
81.07034	72.8
90.03238	12.2
90.84282	14.2
93.07007	39.9
95.08595	58.5
97.10180	13.7
105.07040	22.6
107.08582	22.9
109.10131	28.1
121.10154	17.7
175.92784	13.4
214.71048	12.9
254.08737	13.5
277.49127	14.0
303.61237	13.4
335.25784	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.85886	3.6
54.37645	3.6
55.05508	25.2
55.23935	3.2
56.03120	3.7
57.03423	20.9
57.07083	4.6
58.72263	3.9
59.45990	4.0
67.05174	7.2
67.05499	100.0
69.03455	4.2
69.07048	20.0
70.03699	4.3
79.05484	37.5
79.55778	3.7
81.07053	82.7
83.08594	10.5
91.05460	23.5
93.07039	44.7
95.04950	5.3
95.08601	73.7
95.89207	4.4
97.06528	5.1
105.07015	14.0
107.08595	30.1
109.10152	20.5
119.08611	12.2
121.10093	23.3
124.71221	5.0
130.52046	4.3
131.08575	8.1
133.10139	7.0
135.11693	14.8
139.69800	4.1
147.43933	5.4
149.13252	7.2
161.13208	6.6
189.69800	5.5
218.96880	4.7
335.25766	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	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.3
57.03420	21.3
67.05492	95.6
79.05487	37.1
81.07043	100.0
88.49108	11.3
91.05457	20.3
93.07028	50.2
95.08603	50.4
107.08620	24.4
109.10168	20.0
110.86114	13.8
119.08618	13.8
121.10147	30.4
174.60692	14.2
252.91174	13.6
292.76187	14.2
296.91611	14.2
335.25790	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
54.43696	5.2
55.05497	12.2
56.93644	4.9
57.03433	5.9
67.05506	46.6
68.39286	5.6
69.07052	17.9
79.05456	9.4
81.07050	46.5
83.08611	13.3
93.07041	18.1
95.08601	100.0
95.98116	5.3
97.10175	10.9
97.99673	5.6
98.08434	5.7
102.33266	6.0
107.08594	8.3
109.10149	23.7
119.08580	7.0
123.11724	15.1
127.03908	9.3
129.14091	6.2
131.08685	6.0
133.10114	6.3
137.55554	7.0
154.81068	7.0
210.67096	6.3
237.35429	6.7
271.81927	7.0
292.06876	7.1
317.24854	22.8
335.25879	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87047	20.3
67.05493	100.0
81.07049	42.6
91.05460	25.3
93.07047	48.6
95.08607	47.4
107.08578	32.3
107.18827	20.0
109.10165	30.1
119.08623	22.1
121.95632	20.6
289.67062	23.7
313.57974	24.5
335.25739	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87979	20.3
54.12377	19.8
55.22458	15.0
55.53643	16.3
55.69538	17.0
67.05482	83.5
69.07045	23.5
71.04975	27.8
78.21392	18.7
78.36243	18.7
79.05503	26.1
81.07049	89.1
93.07041	61.3
95.04935	51.9
95.08606	51.1
100.16508	25.0
105.07032	65.0
107.08578	100.0
109.10159	62.9
119.08577	46.9
121.10156	29.0
123.08069	27.4
133.10121	36.9
135.11667	52.4
150.31827	22.0
153.12767	24.6
168.17661	19.6
285.99133	24.2
303.23236	44.5
335.21948	28.2
335.25546	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	335.2578
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
55.05498	13.4
57.03429	10.9
57.07047	7.2
67.05497	75.2
67.67104	6.0
69.07063	29.2
74.66473	6.1
79.05477	18.6
80.02986	6.1
81.07047	100.0
83.08613	12.2
85.77263	6.8
85.77824	6.8
91.05497	21.6
93.07036	31.4
95.08590	83.7
95.09081	8.3
97.10164	9.1
97.89117	6.2
105.07043	18.3
107.08614	18.0
109.10161	48.9
109.58276	6.6
119.08560	14.5
121.10111	14.1
123.11697	18.6
131.08568	8.6
133.10110	8.4
137.13234	10.1
140.09351	8.3
149.13301	9.5
218.05325	7.6
289.25140	10.8
317.24707	16.8
335.25797	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.84879	8.5
51.35155	8.2
55.05501	22.3
67.05494	87.9
69.07059	21.0
81.07038	100.0
83.08595	11.0
85.02864	10.8
91.05499	12.2
93.07019	35.4
95.08604	77.3
95.83737	11.4
105.07040	16.8
107.08582	20.8
109.06567	11.2
109.10147	41.1
119.08589	14.2
121.10175	14.6
123.08071	34.9
123.11713	15.1
130.17337	11.3
131.08585	12.8
137.76064	10.3
179.14264	28.6
224.03770	11.6
335.22092	15.2
335.25830	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
55.05494	15.0
57.07067	9.4
66.76066	3.7
67.05492	14.9
69.07069	9.2
78.68732	3.4
79.05491	5.0
81.07046	17.7
83.08611	7.3
93.07036	10.9
93.52803	3.5
95.08600	100.0
95.09160	7.7
97.10163	11.0
107.08606	4.9
109.10158	14.8
110.20988	3.8
110.49438	4.8
121.10172	5.5
123.11698	8.9
131.08556	7.0
135.11646	4.0
136.04736	4.6
159.11803	5.6
164.67386	3.8
191.10703	7.2
221.22600	5.2
317.24582	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	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34047	8.6
55.05504	12.0
57.07065	12.7
59.87801	6.9
64.34634	9.9
65.80791	8.5
66.19854	9.0
67.05505	15.5
69.07076	13.4
72.59771	11.1
74.79777	8.6
81.07047	23.3
83.08617	10.5
93.07039	13.6
95.08595	26.4
100.15424	11.6
105.07012	11.9
109.06509	14.6
123.08062	63.6
132.94147	11.6
176.81639	10.6
179.14333	60.8
243.92773	12.3
279.19339	13.2
316.52664	11.5
319.70068	14.7
335.25763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05497	24.5
57.07067	10.1
67.05493	21.8
68.29686	6.8
69.07044	25.9
71.66011	7.2
76.62727	8.2
79.05479	8.1
79.47125	7.2
81.07043	48.6
83.04974	38.4
83.08610	15.3
84.81855	7.3
86.83810	7.8
93.07041	20.2
94.40213	8.4
95.08599	44.9
97.10177	18.8
107.08598	28.2
107.51936	9.1
109.06500	15.4
109.10132	21.5
115.28928	8.0
119.08565	12.2
121.10138	26.2
123.11644	13.6
133.10078	12.0
133.63039	7.5
135.08054	56.7
135.11674	11.8
136.64029	7.6
137.09633	13.0
145.10089	12.9
147.11656	18.6
151.11121	8.2
155.26138	8.0
161.13266	12.9
173.13287	12.9
175.14796	11.3
175.53554	10.0
177.12607	18.5
178.59386	7.9
198.39128	9.0
243.17451	21.5
279.82056	9.0
285.22110	14.3
303.23120	83.8
335.25839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1075
Annotation	RD 01A7
Peak:m/z	Relative Intensity
50.49283	2.3
53.47882	2.2
55.05490	4.5
56.05029	2.2
56.30883	2.0
57.03403	5.1
63.68187	2.5
67.05499	5.6
69.03416	7.4
69.07064	3.3
70.06580	7.6
72.08148	9.7
81.03400	3.2
83.04974	2.6
84.08141	4.4
86.09701	3.7
91.05450	3.6
93.07021	7.6
97.02895	7.8
106.06548	3.8
108.08139	2.6
111.07989	3.0
111.85181	3.1
119.93021	2.7
120.08091	6.7
125.02342	3.2
127.03932	4.3
136.07570	19.4
139.07536	10.3
146.09644	3.9
147.18059	2.9
158.09587	4.7
160.07626	3.7
162.05446	21.9
164.07062	8.3
170.15396	54.7
172.07582	7.6
174.09129	15.1
186.09111	14.9
189.07845	4.6
200.07086	7.3
202.08611	5.1
212.07091	3.6
213.07881	4.6
214.08615	26.0
215.09096	4.7
216.15875	13.7
228.10065	6.1
232.09746	4.1
242.08081	11.9
246.07587	9.3
259.08401	14.9
260.09216	19.9
288.08554	4.6
290.10187	100.0
290.19666	9.6
290.80444	3.0
300.08630	4.2
318.09756	12.8
336.10815	22.8
336.20126	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	336.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30843	10.7
67.05491	19.8
70.47504	14.2
71.08604	41.8
72.04501	57.0
76.12316	13.6
81.07045	26.4
93.07072	19.8
112.78914	18.7
125.76097	15.0
138.78410	16.0
205.54991	21.2
223.25299	18.2
238.21576	30.9
336.28983	100.0
337.53836	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	336.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	3.6
55.05495	16.4
57.07062	8.6
62.17752	3.5
67.05492	17.6
69.07049	15.5
71.08619	29.8
72.04504	10.3
72.07785	3.2
79.05469	8.3
81.07049	28.2
81.28657	3.0
83.08607	5.9
85.06540	4.4
93.07021	15.5
95.04964	8.3
95.08585	18.4
97.06528	7.9
97.10177	5.6
99.08081	8.0
105.07013	4.5
107.08577	16.9
109.06515	11.9
109.10106	7.6
114.09161	5.3
119.08571	4.9
123.11672	5.2
133.10150	6.0
133.70952	3.7
135.11720	5.3
165.12741	17.7
209.76642	4.7
212.16475	5.2
238.21588	25.7
291.23129	34.6
336.28903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.1
55.05514	25.6
60.08140	7.3
67.05497	87.3
69.07056	19.5
73.02914	15.6
79.05486	38.4
79.81036	4.7
81.07041	45.3
83.04935	3.8
83.08619	8.7
91.05462	31.9
93.07047	55.7
95.04967	9.6
95.08592	32.3
99.04446	29.2
105.07034	16.9
106.16026	3.6
107.08575	25.0
109.10168	14.9
114.68423	4.1
115.86201	3.8
117.06995	5.4
119.08583	15.2
121.10129	18.2
123.11718	5.5
131.08528	5.8
133.10156	8.9
135.11713	7.0
139.97304	4.7
145.10121	8.5
277.21573	85.8
336.28943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.326
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
50.88569	2.5
52.13312	2.8
55.05507	26.0
57.07055	5.5
62.80247	2.8
67.05497	4.3
69.07078	6.7
70.06578	6.5
72.08147	67.6
74.85354	3.1
81.07052	3.3
83.08565	4.1
94.65005	3.5
98.06052	74.0
100.42317	3.1
121.80223	3.1
126.09126	4.9
140.10675	4.9
154.12263	6.7
154.21921	3.3
198.68098	3.1
213.24867	3.6
215.13188	3.4
224.18520	4.2
280.24982	5.5
286.01080	3.6
336.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	57.9
57.07068	34.9
65.03946	5.0
67.05502	76.9
69.07064	81.8
71.08605	9.1
79.05482	17.9
81.07047	100.0
83.04954	6.4
83.08601	48.0
86.06052	9.5
86.61674	4.9
91.05485	17.7
93.07033	23.1
95.08606	82.1
97.06525	13.5
97.10153	31.7
100.07605	14.7
105.07037	14.9
107.08594	13.4
109.06433	5.1
109.10145	49.2
111.08071	7.5
111.11710	7.2
114.09188	7.7
119.08545	15.7
121.10155	16.5
123.11687	19.8
132.19829	5.4
133.10100	10.0
135.11710	13.8
137.13242	8.7
147.11748	11.2
151.11122	5.2
151.14824	7.0
161.13263	14.9
191.17903	6.6
301.28967	31.2
319.29813	38.0
336.32605	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	336.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48494	6.5
53.46093	6.7
55.05503	59.2
55.05700	6.0
57.07082	32.8
57.39405	6.4
62.12826	6.1
67.05497	75.4
67.05788	7.7
67.94846	5.9
69.07065	92.9
71.08630	15.1
72.08190	7.4
79.05506	21.5
81.07055	100.0
81.07471	8.5
83.08624	47.9
85.10205	11.1
86.06075	7.6
91.05506	19.0
93.07048	16.9
95.08595	99.2
97.06542	12.2
97.10204	32.1
100.07651	9.9
105.07066	28.1
107.08622	15.6
109.10155	57.0
111.08121	12.2
111.11801	8.9
114.09221	14.4
119.08630	18.2
121.10204	24.7
123.11719	18.1
133.10110	11.8
135.11766	16.6
139.11299	10.4
161.13315	9.3
169.53600	8.4
195.84270	7.3
229.21776	8.5
240.23640	8.1
301.29034	17.1
319.29941	53.1
336.32651	32.1
344.15045	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	336.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16123	7.7
55.05505	59.6
57.07071	31.2
59.99110	6.1
67.05493	79.0
69.07055	75.7
71.08615	15.4
72.04531	10.0
79.05482	16.1
81.07046	100.0
83.08599	49.0
83.87720	7.6
85.10170	9.1
91.05495	14.1
93.07038	24.6
95.08597	76.9
97.10182	28.4
100.07623	14.9
105.07018	8.6
107.08598	17.0
109.10148	47.7
111.11733	17.0
119.08602	10.5
121.10136	19.9
123.11732	16.6
128.10805	11.4
133.10143	13.9
135.11736	21.6
135.43417	8.4
136.44176	7.0
150.14308	7.4
171.38531	10.1
181.70576	8.2
301.28949	15.5
319.29752	52.2
336.29166	20.4
336.32697	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	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	42.8
57.07082	33.5
57.07307	6.4
63.96524	4.8
67.05497	79.0
68.02156	5.7
69.07058	75.0
71.08616	18.5
71.78793	5.0
72.04501	23.5
72.79317	5.3
79.05489	10.5
81.07046	100.0
83.08611	53.8
91.05459	16.7
93.07015	29.6
95.08591	92.2
96.08939	7.6
97.10162	37.2
99.08166	6.3
100.07610	12.9
105.07027	18.0
107.08591	19.0
109.10153	37.4
111.11716	11.7
114.09139	12.1
119.08598	15.8
121.10099	12.9
123.11678	17.2
123.56811	6.3
128.10754	5.7
133.10118	9.5
135.11771	13.4
138.73593	6.3
149.13243	7.9
154.12372	6.8
165.74092	7.5
235.20438	7.1
235.24199	6.8
238.21751	14.9
298.50555	6.5
299.24960	7.9
301.28833	18.6
319.29895	28.1
336.29013	30.9
336.32657	15.2
356.82611	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3259
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
54.53729	6.6
54.72458	6.8
55.05497	45.5
57.07066	86.0
61.41038	7.0
61.53983	8.1
64.89388	7.4
67.03025	7.2
67.05499	18.4
69.07049	48.2
69.63443	7.6
71.08638	9.1
74.09711	100.0
75.80170	8.2
76.19119	8.5
81.07050	26.4
83.08597	18.5
95.08585	12.5
97.10166	12.5
109.10136	10.1
121.34456	9.1
124.37985	8.9
143.96379	8.4
147.69304	9.5
161.90524	10.7
250.90288	9.1
336.32532	62.9
347.94241	10.7
353.54553	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	337.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	3.1
57.23999	2.7
67.05511	3.5
70.06567	23.4
72.08133	14.4
73.95329	3.2
74.06077	3.6
79.26286	3.8
84.04501	10.9
84.08122	13.6
86.09700	9.3
95.06178	3.7
96.04526	3.8
96.68296	3.8
109.97312	3.5
110.06013	3.9
114.37975	3.6
115.08677	3.8
116.07130	3.6
129.10248	8.0
130.04968	3.9
135.59319	3.8
136.07559	18.1
138.89914	3.4
146.11145	4.2
164.07057	23.1
182.08176	8.9
205.04259	3.7
257.14990	4.0
259.05441	12.3
273.06876	33.4
294.72595	4.2
319.07379	23.6
337.08432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35847	4.5
55.01884	4.8
56.05056	7.1
70.06569	6.6
78.62759	6.4
81.07053	7.4
91.05444	7.0
91.39121	5.9
186.09123	19.0
187.74446	6.1
202.11037	13.5
203.11813	15.6
214.08624	11.7
259.10712	100.0
301.11758	87.6
319.12766	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20509	0.9
60.05642	21.7
61.43298	1.2
69.03419	1.4
70.06583	85.8
71.04969	3.1
71.61512	1.1
71.67110	1.2
72.08150	21.6
79.86832	1.3
80.38268	1.1
81.03399	1.9
84.07677	1.3
84.08108	6.9
85.02891	4.3
87.07998	1.4
91.29544	1.3
97.02856	1.9
97.07647	6.5
98.06027	1.8
100.07591	2.5
110.06036	2.0
111.41875	1.2
112.07577	2.4
112.08721	14.7
114.09143	6.9
114.10281	22.1
116.07084	8.3
128.07086	5.7
130.09741	12.7
131.12947	2.0
135.24796	1.4
150.09163	3.5
154.08678	1.9
158.09247	7.1
173.13995	8.2
175.11864	14.8
198.11206	7.6
214.10654	2.4
216.12271	2.9
217.12962	3.8
232.11752	3.3
236.64568	2.0
242.10120	6.0
257.16071	9.0
260.11276	4.3
319.16104	10.4
325.58234	1.3
337.17136	100.0
338.17349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1746
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
50.19064	7.6
55.05492	13.3
57.07065	13.9
61.02003	8.2
63.51165	8.7
67.05495	13.1
67.20761	7.9
69.07048	14.3
69.58469	8.0
81.07043	18.9
95.08585	17.0
119.08589	13.8
140.98572	11.0
144.90103	11.7
172.23714	11.0
183.67305	10.7
191.29910	11.8
207.59499	10.9
275.27518	12.0
293.17590	10.9
307.78882	13.2
327.27631	12.7
337.17401	100.0
337.23737	21.6
342.52078	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	337.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59176	10.0
55.05496	30.8
57.03429	23.4
57.07062	24.7
58.90303	9.3
59.00728	8.7
61.31050	10.2
67.05495	34.3
69.03419	24.7
69.07064	37.9
69.35720	12.5
73.02887	21.1
79.05466	32.2
81.06647	11.3
81.07031	60.5
83.04978	14.5
85.02892	12.5
85.06538	33.7
91.05467	29.9
91.70995	23.0
93.07036	28.8
95.04924	13.2
95.08614	23.1
109.06502	17.0
111.08086	61.2
114.31879	12.0
132.06590	11.0
133.10129	51.1
134.78954	12.7
149.09615	100.0
153.09079	18.3
157.49922	14.6
171.10202	46.0
189.11240	17.1
201.94153	12.7
223.35658	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	337.2007
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
57.76360	19.1
67.05484	36.9
69.07049	25.7
79.05462	38.2
81.07040	55.9
85.97572	18.5
85.98565	18.7
91.05466	38.1
93.07024	41.6
105.07034	35.6
107.08546	21.8
131.08548	31.4
173.60309	25.7
178.61662	24.0
301.18369	22.8
308.82703	22.4
319.18994	100.0
337.20270	56.1
340.04980	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57680	1.3
50.77193	1.6
54.96217	1.7
55.01876	15.8
55.05515	8.5
57.07081	2.5
65.03936	2.2
67.05501	23.3
69.03432	5.1
69.07065	11.4
71.04984	100.0
71.61572	1.7
79.05487	12.2
81.07044	24.8
83.04990	3.6
83.08636	3.7
84.08140	2.7
85.06536	19.9
87.04482	4.9
91.05505	8.8
93.07050	16.2
95.04974	2.5
95.08591	18.2
97.06527	60.8
101.06001	14.6
105.07063	3.3
107.08597	10.2
109.10165	3.8
111.08073	12.9
119.08618	5.4
121.10181	8.9
123.11709	2.6
127.84818	2.0
128.07112	3.2
133.10173	3.1
135.11723	8.7
135.18227	1.8
159.11739	2.2
171.13818	4.4
185.15463	2.6
237.18436	22.3
240.79909	2.1
255.19522	15.9
265.18051	4.0
270.52219	2.3
283.19022	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01463	4.0
55.01859	13.0
55.05513	28.1
55.05718	5.3
56.41967	4.8
57.07066	42.9
57.14535	4.6
58.93130	5.0
61.79573	4.9
67.05170	9.5
67.05497	100.0
69.03427	36.9
69.07060	50.8
69.70657	5.7
70.06558	8.9
71.04977	36.0
71.08615	13.7
72.08146	6.4
79.05482	53.9
81.07046	91.4
83.04968	22.7
83.08620	14.4
84.08138	10.1
85.02882	9.3
85.06538	43.6
86.09674	13.1
87.04456	53.4
91.05474	56.3
93.07032	60.9
95.04971	8.9
95.08604	46.3
97.10163	6.8
99.08080	16.2
101.06010	22.0
105.07032	32.5
107.08581	42.3
109.10136	22.8
113.05960	6.0
115.03924	24.3
117.07011	13.4
119.08572	33.6
121.10139	56.9
123.11685	13.6
125.09680	7.1
131.08571	23.3
133.10143	55.0
135.11682	44.7
137.09619	12.5
139.11243	8.6
145.10101	14.2
147.11729	17.5
149.09651	6.8
149.13251	11.8
155.10652	9.8
159.11627	8.8
165.12773	8.2
183.13870	10.3
194.02240	6.1
197.11703	15.5
197.81380	7.0
199.13086	6.3
201.16368	27.3
219.17340	14.2
232.28290	5.8
237.18463	44.3
255.19540	16.0
259.10999	6.5
265.18015	31.7
283.19104	23.3
301.11874	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	337.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49049	5.4
52.54614	5.0
55.11525	5.3
56.60793	5.7
57.07062	21.3
67.05497	17.8
69.07074	11.4
79.90560	6.7
81.07050	14.9
82.41379	5.9
83.08617	9.1
85.24409	6.4
93.06979	9.4
95.08597	16.5
103.67599	6.4
107.08575	10.2
109.06516	19.7
109.10152	11.9
113.94182	7.2
147.08080	6.4
151.07547	10.2
235.16888	100.0
337.27350	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	337.2372
Annotation	Dihydroflexibilide
Peak:m/z	Relative Intensity
51.27370	5.9
55.05508	11.1
55.37849	5.8
56.96563	7.5
60.66212	6.9
62.08653	5.9
67.05492	21.3
69.07050	16.0
70.15706	7.8
71.08602	7.2
79.05451	7.8
81.07047	15.9
91.05466	7.6
93.07005	9.1
95.08614	18.3
104.75695	6.8
105.07059	9.0
107.08595	9.8
109.10191	8.7
111.04427	10.9
119.08540	7.7
123.08064	16.7
125.06029	7.6
151.07594	10.6
218.98318	9.7
291.22974	10.0
307.46118	8.1
319.22635	47.0
337.23666	100.0
337.27295	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	4.8
55.05494	9.3
57.07048	6.7
62.53619	4.4
67.05169	8.4
67.05495	100.0
67.42403	4.1
69.07058	13.9
79.05489	33.0
81.07047	91.3
83.08636	6.8
86.88650	4.8
91.05478	26.9
91.71701	9.1
93.07034	60.0
95.08587	68.1
105.07032	15.2
107.08559	35.6
109.10173	26.1
119.08595	11.2
121.10146	23.1
123.11712	15.9
131.08543	13.4
133.10115	12.9
135.11719	18.3
137.04855	5.6
137.33302	5.4
138.16043	5.1
145.10112	15.4
146.75697	5.2
147.11674	8.7
149.13243	16.6
159.11617	6.4
161.13235	6.6
163.14830	9.2
173.13206	10.9
175.32724	6.0
187.14812	8.3
243.21089	18.3
246.10580	5.8
253.57132	6.1
254.72649	5.5
259.90585	6.2
261.22134	63.9
299.74985	6.1
312.36331	5.9
337.27383	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	338.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23838	8.7
56.96572	56.2
65.04702	10.4
70.06586	19.4
81.76473	9.1
91.71054	12.4
181.79449	11.2
191.00201	38.5
209.01147	68.2
214.01700	14.2
232.02867	36.6
255.04907	13.8
265.07477	17.3
269.04520	15.6
270.08124	16.4
289.07529	37.9
294.07986	26.4
297.04330	45.0
312.09140	40.9
315.05347	100.0
320.05893	56.9
333.06448	43.7
335.10880	25.0
338.06836	68.4
356.08087	30.7
361.08679	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78537	8.4
56.96557	21.5
72.34032	10.7
98.97546	15.5
116.98608	15.5
140.00172	20.5
181.91289	10.5
217.71092	10.6
236.69235	14.2
262.39597	10.8
274.97470	13.7
292.08139	16.4
297.06021	15.2
297.98962	16.8
300.47418	14.7
315.06934	19.3
316.00314	19.8
320.07663	47.8
338.08688	100.0
339.01593	29.4
356.24704	12.6
361.10306	57.3
362.49957	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	338.1209
Annotation	Met Met Gly
Peak:m/z	Relative Intensity
65.09455	1.3
66.96698	1.5
67.95584	1.4
69.19430	1.2
70.01173	1.4
70.11298	1.3
84.08092	1.4
97.34298	1.4
115.29172	1.5
120.08082	1.6
125.64866	1.5
132.72787	1.6
176.06804	13.6
266.34412	1.8
272.23151	2.0
338.12076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51232	19.1
51.24426	20.9
52.84911	22.2
56.96546	100.0
73.40770	22.9
82.21238	28.4
90.70545	24.8
98.97559	30.6
103.35159	25.3
107.04962	23.9
116.98634	45.5
121.47196	24.0
140.00194	78.8
158.01237	38.8
181.02856	46.6
269.75601	25.2
278.10403	39.1
297.99115	73.6
301.12173	39.9
319.13342	82.4
339.01913	45.7
345.86542	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	7.5
63.67405	3.5
67.05493	10.0
70.06583	11.1
71.56467	3.4
72.08138	3.9
74.00626	3.0
81.07036	10.0
84.04522	5.1
84.08126	10.1
85.02889	10.6
86.09715	9.4
95.08598	46.2
95.26820	4.1
99.04409	4.3
103.61529	3.3
105.07096	3.4
120.01216	7.0
120.08100	6.6
123.08071	33.2
141.09099	52.4
164.07042	100.0
164.08353	6.4
229.08728	7.1
252.10011	6.4
259.01428	4.9
278.55280	4.7
288.15894	5.3
338.19687	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	338.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34340	4.0
54.36194	3.7
55.05499	16.1
57.07057	20.5
69.07037	10.2
71.08625	5.2
71.97580	4.5
74.06057	7.8
75.44759	4.3
80.69957	4.4
83.08596	14.2
88.07611	32.4
91.70986	5.2
97.10168	5.9
102.09174	19.5
107.52750	5.1
116.10732	5.8
121.85466	4.6
125.78207	4.3
127.86284	4.7
134.09657	40.1
217.16557	5.0
236.67976	4.8
256.26331	90.8
270.39645	5.8
277.32663	5.7
297.28821	11.7
300.09647	5.1
338.28403	47.5
338.34213	100.0
352.06647	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	338.3413
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
54.16036	1.2
54.16755	1.1
57.07052	3.6
62.84525	1.1
70.06555	1.3
72.08149	32.9
73.87765	1.3
77.21779	1.1
79.10271	1.1
80.49335	1.3
83.32758	1.2
98.06030	2.1
114.50174	1.2
126.09177	1.7
128.10727	1.7
142.12282	1.9
152.31801	1.5
159.61391	1.4
170.47124	1.4
338.34149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52837	1.3
51.17435	1.6
51.29496	1.5
59.94395	1.6
64.49666	1.8
70.06608	2.5
73.12361	1.6
79.05497	4.1
81.07049	9.7
91.05488	3.7
94.06589	5.2
96.08173	2.4
108.08138	2.5
109.05288	2.1
110.06026	10.0
121.06599	1.9
122.06026	22.7
122.06755	2.4
123.06870	3.5
124.07581	17.8
131.88800	2.0
134.06087	5.9
136.07570	90.3
140.07063	8.9
150.05574	8.4
152.07053	100.0
153.07492	2.1
164.07057	98.1
165.07309	2.2
168.06560	2.7
170.08076	16.8
182.08101	28.2
195.85556	1.8
196.60303	2.0
273.41187	2.0
303.13336	16.4
321.14600	5.7
339.15729	4.7
340.54034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54236	3.1
55.01872	5.6
55.05498	9.4
56.96558	26.0
58.28517	3.0
67.05498	33.2
69.07069	18.4
71.04971	5.3
79.05483	28.5
81.07047	29.2
81.07453	4.6
83.04975	10.5
83.08601	4.2
91.05472	27.5
93.07050	32.8
95.04958	14.2
95.08604	17.1
97.06508	7.9
98.97581	61.1
105.07012	21.7
107.04911	8.7
107.08594	24.1
109.06517	13.3
109.10134	10.4
116.98616	58.1
117.06982	18.3
119.08588	14.9
121.06445	9.2
121.10156	21.3
121.10880	3.5
123.08071	9.0
129.06993	4.6
131.08548	26.2
133.10127	17.4
134.99651	29.1
135.08034	8.5
135.11684	7.9
137.09660	4.3
139.16257	4.5
140.00179	47.8
143.08586	9.3
145.10130	35.0
147.11725	6.5
149.09586	21.7
151.11194	11.3
155.08519	3.9
158.01245	49.5
159.11725	11.6
161.09616	7.0
161.13240	4.4
163.11201	26.9
165.36333	3.5
173.09653	6.3
175.11128	4.0
179.10658	9.2
181.02821	45.7
187.14825	8.7
191.10722	4.7
201.16335	9.3
203.14284	5.2
219.17348	19.3
229.15852	13.6
232.96416	5.0
237.62987	4.1
247.16866	21.3
256.96451	15.7
265.18021	20.8
273.99103	4.4
274.97464	24.5
292.98532	9.3
297.99097	100.0
298.99664	5.2
316.00079	56.9
321.20605	32.0
339.01724	56.3
339.21600	64.4
340.02368	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.9
55.01865	9.0
55.05492	9.8
55.34296	3.9
56.96560	24.1
57.03426	6.0
67.05229	3.7
67.05497	41.8
69.07051	21.1
70.45281	3.6
71.05001	4.8
75.30216	4.4
78.15129	4.7
79.05488	29.5
81.07041	31.3
83.04969	9.6
83.08625	5.4
91.05464	28.7
92.89127	3.9
93.07026	38.5
95.04939	10.2
95.08600	22.8
98.97575	72.0
105.07011	35.6
107.04955	13.8
107.08566	25.5
109.06529	9.1
109.10141	10.3
109.25660	4.7
116.98592	57.0
117.07009	12.2
118.87476	4.1
119.08575	24.2
121.06492	13.0
121.10143	19.4
123.08075	8.6
129.07014	5.0
130.00630	4.5
131.08571	37.4
133.10135	18.5
134.99652	26.3
135.08040	11.0
135.11662	12.3
137.09642	5.2
140.00183	66.3
143.08589	6.0
145.10120	35.9
147.08028	9.1
147.11745	5.2
149.09604	20.4
151.03767	5.1
151.11174	14.2
153.00591	6.8
158.01216	51.8
159.11708	12.5
163.11217	28.5
173.09668	5.6
173.13266	5.8
174.85840	5.8
179.10661	8.6
181.02815	36.0
187.11169	5.1
187.14867	10.7
199.03926	7.5
201.16394	8.4
211.14793	6.9
213.97012	6.1
219.17505	19.4
229.15825	15.3
242.88187	4.5
247.16911	41.7
250.97473	5.4
255.98003	7.6
256.96402	12.7
265.18011	26.7
274.97421	30.3
290.30981	4.8
292.98569	13.4
297.00449	6.5
297.99042	100.0
298.99503	7.3
316.00146	56.2
321.20477	33.5
339.01678	57.9
339.09406	5.3
339.21652	63.9
340.02042	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.8
55.20967	4.6
56.50091	4.9
56.96562	33.6
57.03431	6.7
67.05494	12.0
69.07081	9.9
79.05514	8.3
83.08633	19.7
86.88262	5.9
87.20765	6.3
91.05502	12.6
93.07050	12.6
95.08562	6.1
98.97569	65.3
107.08664	12.4
116.98619	49.3
126.27326	6.1
129.09930	6.4
130.28876	5.7
134.99663	30.9
140.00153	39.6
149.09689	6.8
158.01234	47.3
177.14648	6.3
181.02846	41.0
190.95450	7.4
201.16428	6.0
213.96899	6.3
215.37733	5.6
219.17464	8.3
238.03232	6.1
247.16696	5.8
252.83644	6.0
256.96619	14.7
270.24353	7.0
274.97461	31.6
292.98538	16.1
297.99078	100.0
298.01932	8.1
298.99457	8.7
314.49545	6.5
316.00244	40.9
339.01614	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
55.05495	6.1
56.96566	22.3
56.96791	4.8
57.03426	16.3
67.05499	22.8
67.79650	4.4
69.07059	15.1
79.05488	15.0
81.07047	26.8
81.56165	4.6
83.04973	7.4
91.05458	23.0
93.07036	27.1
95.04949	7.3
95.08611	14.1
98.97573	57.0
105.07036	20.4
107.04951	8.9
107.08585	19.1
107.52728	4.2
109.06523	11.4
109.10152	11.1
116.98607	46.3
117.07025	8.4
119.08582	9.3
119.45218	4.0
121.10168	12.6
131.08563	25.6
133.10150	12.3
134.99632	22.9
135.08116	5.3
135.11716	9.8
140.00182	54.1
145.10185	23.5
149.09648	14.3
157.10139	6.1
158.01279	48.4
159.11720	5.8
163.11205	19.6
169.10118	6.7
175.11212	10.5
181.02846	43.7
191.14490	5.9
201.16431	6.8
205.69960	4.4
219.17427	9.1
225.72618	4.5
226.05707	5.1
229.15926	17.8
230.25563	5.1
247.16832	23.2
255.98015	6.3
256.96469	10.5
265.18018	17.2
273.99084	6.5
274.97418	20.6
292.98572	10.4
297.99066	100.0
316.00079	52.0
321.20450	26.7
339.01785	55.1
339.21585	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89681	1.8
52.67942	1.7
57.07047	1.9
62.23726	1.9
66.26132	1.6
66.31051	1.6
67.05486	2.4
67.19881	1.7
70.39056	1.8
81.07066	2.8
91.70940	2.5
116.98529	2.9
118.59730	2.2
140.00143	3.1
144.64699	2.3
315.42273	2.2
339.01828	2.5
339.22958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54151	9.0
53.55972	7.2
56.84898	7.0
56.96561	9.2
57.07068	27.2
63.92637	6.9
75.47131	8.4
77.10687	9.9
93.07002	9.2
98.97587	42.4
103.99854	8.8
105.04361	9.8
105.07032	24.1
116.98560	12.1
119.08592	22.6
121.10139	40.6
133.10129	21.0
140.00189	21.2
147.11673	29.3
158.01312	11.0
158.48367	10.3
173.95490	9.4
175.11258	13.9
181.02805	14.2
193.04950	10.8
224.81189	9.5
283.16928	100.0
297.99182	36.1
316.00119	19.8
322.44922	11.0
339.01730	22.6
339.23044	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	339.2529
Annotation	8,12,19-Trihydroxygeranylnerol
Peak:m/z	Relative Intensity
55.05501	57.9
57.07060	33.0
57.74421	18.8
62.02152	16.3
62.59361	18.8
65.15488	15.8
67.05478	25.8
69.07052	71.1
71.08620	25.4
72.91108	17.2
81.07054	49.5
83.08619	29.1
83.54810	20.1
93.07023	42.1
95.08615	54.1
97.06530	25.3
97.10168	31.9
107.08629	34.2
109.10194	30.6
117.86235	21.9
121.10075	28.6
123.08083	44.1
135.08118	24.9
146.58028	22.5
179.14302	36.9
252.92810	21.5
265.17819	23.5
275.96906	21.6
303.23199	57.3
312.03317	21.7
321.24341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05487	26.3
56.96546	16.5
57.07075	14.3
67.05484	20.6
69.07059	53.2
71.08620	21.4
79.05492	12.1
81.07043	30.2
83.08595	11.1
91.05455	8.9
93.07056	31.1
93.70989	6.1
95.08591	35.0
97.10132	7.8
98.97572	55.5
99.08095	14.1
107.08578	19.1
109.06522	11.3
109.10154	17.5
116.98585	36.7
119.08590	9.3
121.10078	11.4
123.08064	45.3
131.08578	7.9
133.84587	6.1
134.99666	17.0
135.08093	12.8
137.13268	7.8
140.00180	34.6
149.09592	7.0
153.12753	21.7
158.01259	21.1
162.10498	6.6
170.43549	6.6
179.14262	38.0
181.02884	18.4
185.08875	5.6
205.15907	7.3
248.00461	6.5
256.96344	7.8
265.18076	17.1
265.25226	12.5
274.97473	29.3
275.23782	9.6
292.62500	7.4
292.98627	9.3
293.25000	8.9
297.99075	54.1
302.92020	6.6
303.23111	42.1
305.36639	6.5
316.00168	25.1
321.24185	100.0
339.01810	23.7
339.25571	13.0
349.40924	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	339.2527
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.05501	23.3
56.96565	28.1
57.02662	8.2
57.07071	83.1
57.09577	9.5
60.75428	9.6
67.05489	37.4
67.40560	10.0
67.64473	9.7
69.07055	36.2
70.06587	13.6
71.08618	34.3
81.07050	52.9
83.04948	14.0
83.08613	25.7
85.10175	17.1
91.05495	20.1
93.07044	30.1
95.08607	44.6
98.97587	49.2
103.58424	11.1
105.06998	11.2
107.08603	28.1
109.10136	33.9
111.04480	13.2
112.23698	11.3
116.98621	40.6
121.10139	20.3
134.99678	29.4
135.11707	17.4
140.00209	48.4
149.02359	14.0
158.01300	38.8
181.02879	26.0
193.05000	29.7
204.30968	11.7
209.15132	18.0
216.04829	15.2
217.12305	13.8
223.17055	17.4
237.18488	39.3
293.24683	100.0
297.99072	78.1
316.00266	32.6
339.01727	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
56.00773	17.5
57.07048	21.1
61.16812	16.2
69.07066	55.1
71.04996	18.1
71.12847	18.6
71.86067	19.3
79.47961	19.6
81.07040	100.0
83.08620	32.5
91.71674	25.2
93.07030	34.2
94.96083	25.1
95.08601	60.7
105.45631	18.5
107.08583	22.4
109.10171	40.9
121.10123	19.8
127.11162	21.8
286.87848	25.7
321.27872	79.4
339.29218	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04502	5.9
55.05512	22.1
57.07088	17.9
67.05511	28.0
69.03442	8.1
69.07061	77.3
75.01245	7.8
75.35706	7.7
81.07066	31.2
83.08644	29.3
85.06548	8.6
93.07043	15.4
95.08590	76.3
97.10139	15.6
105.07021	7.1
107.08646	17.8
109.10147	100.0
111.08092	25.6
111.11696	11.2
121.10173	29.9
123.11708	41.7
132.73676	10.1
134.99715	7.4
135.11703	13.2
137.09651	21.4
137.13322	13.4
139.11229	13.9
149.13274	23.4
151.14877	31.5
156.01149	7.5
163.14880	13.2
167.61673	7.6
189.16368	8.0
218.91776	8.5
222.32536	8.6
248.80359	8.2
303.26883	13.5
321.27963	30.3
339.29105	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	340.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33416	0.6
53.19963	0.5
56.12284	0.6
67.05501	0.7
73.14585	0.6
73.15091	0.7
79.05495	0.7
81.07047	1.0
82.20618	0.6
83.91902	0.7
91.05421	0.6
93.07034	1.0
95.47721	0.6
98.97555	0.7
104.78272	0.6
105.07021	1.2
114.02699	0.6
119.08591	1.8
121.10121	2.3
133.10104	3.4
135.08089	0.8
143.04732	0.7
159.74554	0.7
161.13237	1.5
172.55286	0.7
203.14297	17.6
219.17422	100.0
220.17812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14561	2.7
55.05502	24.8
69.07056	9.8
70.06580	10.2
77.68735	2.9
83.08627	3.7
84.04491	3.0
84.08099	8.3
85.02904	8.9
86.09702	6.9
87.08897	3.1
91.33236	2.8
97.10164	77.3
116.07088	3.5
125.09621	16.1
130.91617	3.2
135.53931	3.0
143.10664	100.0
154.45741	3.6
161.11777	6.9
184.13268	3.7
268.77289	3.7
340.26157	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	340.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55161	0.6
56.68626	0.6
56.96548	0.9
62.82400	0.8
67.63302	0.7
72.65189	0.8
79.05489	2.3
91.05446	1.3
98.97620	1.0
103.05450	1.5
105.07030	20.8
107.08546	1.6
119.08567	3.0
130.76691	0.8
133.06482	19.7
134.07248	3.7
135.08031	8.9
140.00134	1.2
151.07549	6.4
158.01263	1.1
178.12260	100.0
179.12720	0.9
298.99271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60226	0.7
56.96563	1.3
61.65720	0.8
65.93669	0.8
79.05482	3.2
81.07034	1.0
91.05492	1.5
95.04958	1.4
95.08580	1.1
98.34801	0.9
98.97603	0.9
103.05457	1.9
105.07030	20.4
107.08622	1.5
116.98578	0.9
119.08624	2.1
133.06491	18.7
134.07272	5.9
135.08043	7.5
140.00179	1.2
151.07625	4.5
178.12262	100.0
186.30643	1.1
190.22919	0.9
253.06436	1.2
312.07071	1.0
361.60458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18819	1.0
54.14286	1.2
57.06807	1.3
57.07066	19.8
64.02447	1.2
69.07038	3.6
71.08611	3.8
74.06049	5.6
80.05029	1.3
83.08598	1.8
86.02812	1.4
88.07615	16.2
102.09174	8.7
114.09184	1.7
114.45766	1.4
116.10753	1.8
134.59795	1.4
142.29898	1.3
147.60223	1.4
191.52414	1.5
202.38728	1.6
230.44449	1.5
284.29422	25.6
340.35690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65012	10.6
57.07080	10.9
58.59390	11.8
66.38329	10.9
76.98091	10.2
84.77856	9.7
115.29650	12.4
225.54646	13.4
237.61894	11.1
254.68437	11.8
269.79767	15.1
340.35684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33517	7.0
57.38121	6.3
69.06490	6.6
69.09786	6.7
70.06579	16.9
71.05725	7.7
84.08142	10.3
91.71222	10.0
94.04122	9.3
102.46107	8.6
105.06962	12.0
120.08125	7.3
122.03623	14.6
125.13989	8.6
129.06967	9.8
130.12131	7.9
137.05980	100.0
142.36371	9.2
158.68677	8.2
164.07143	11.4
187.07576	22.9
197.43355	8.8
199.07506	8.7
203.08598	10.0
217.08467	8.6
217.51552	9.4
248.08307	15.0
263.10611	12.3
277.09305	11.2
291.10135	24.4
311.12668	10.6
323.12839	29.6
341.13544	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	341.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35717	5.8
52.75927	6.7
52.87983	5.4
53.80555	5.8
57.92852	7.3
60.98542	6.6
61.33287	6.8
63.71018	6.0
67.05531	6.9
68.23793	6.4
69.07071	7.6
79.05495	9.6
81.07056	9.9
91.05508	11.4
103.05511	10.1
105.07034	64.3
133.06487	47.5
134.07327	19.3
135.08044	54.9
136.08418	9.4
137.06029	14.2
151.07545	18.1
155.53285	8.6
165.03778	32.6
178.12247	100.0
179.12709	24.1
263.05627	11.9
277.16376	13.1
281.06656	21.1
282.06781	12.2
295.17404	34.9
296.17807	25.9
299.07742	31.1
304.08255	26.8
317.08569	15.3
318.09192	9.8
322.09143	53.1
340.10315	17.1
341.08856	11.6
341.60898	9.0
345.10989	29.0
359.09741	15.1
364.10266	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12730	2.5
54.40426	2.2
55.05507	3.0
70.06602	4.8
73.61522	2.7
73.89471	2.2
82.73263	2.7
84.08189	4.5
93.41412	2.7
97.48337	2.5
101.43699	2.6
118.98052	2.8
137.06017	8.6
151.04024	3.8
165.07019	5.4
174.06903	3.9
177.07144	4.2
194.07242	27.2
204.05740	3.9
205.06468	18.9
207.08017	3.0
211.07472	3.5
219.08131	12.2
220.05220	4.9
221.06064	7.8
222.06755	31.6
233.05972	8.5
234.06894	10.9
235.07544	8.1
237.09077	76.8
247.07539	5.9
248.04742	5.6
249.05602	5.1
250.06177	18.3
263.07132	13.0
265.08560	100.0
265.11310	5.4
266.09015	3.7
267.06628	4.1
279.10211	4.2
279.48511	3.0
282.08936	4.9
291.06488	24.1
291.09546	2.8
293.04489	5.3
297.11169	41.3
308.06873	6.2
309.07584	3.8
323.09164	29.3
323.12714	5.4
341.10303	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17685	1.1
65.03926	2.9
70.06580	5.7
79.05470	1.6
84.08128	2.1
86.09686	3.2
89.03908	3.2
91.05456	2.1
91.71037	2.0
104.41018	1.3
106.06606	1.7
107.04926	5.8
116.04964	7.9
121.39494	1.3
134.06003	9.3
136.07602	3.7
137.05981	13.9
144.04454	14.3
146.06010	3.6
148.03935	6.5
162.05527	4.2
164.07079	6.9
166.04985	4.0
172.03926	31.0
187.07533	4.1
189.06691	1.6
189.09151	1.5
190.04977	100.0
198.51079	1.4
291.10800	5.1
296.09158	2.2
299.10416	2.8
311.12869	2.3
323.12930	3.5
324.08789	3.2
341.11096	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	341.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	5.3
56.96566	3.8
58.58305	2.6
65.32504	3.2
73.75020	3.2
74.03339	2.8
81.07009	3.3
84.04495	28.0
85.02868	6.4
88.33944	3.3
91.05470	5.6
94.74906	3.6
95.04979	4.7
100.11226	4.7
106.06534	5.8
107.04952	48.2
118.06531	32.9
119.07276	3.8
121.02890	4.6
130.06528	9.0
137.05984	21.5
138.09065	3.4
143.07330	13.7
146.06007	93.7
156.08087	10.6
170.06004	4.6
171.06750	35.9
172.07565	5.0
184.07570	8.5
187.07477	5.5
194.09279	4.6
195.08069	5.8
198.07939	6.1
202.08757	4.1
211.08781	5.3
222.08977	5.6
240.10159	69.1
248.08405	6.4
250.12224	8.3
258.11343	5.7
260.10663	37.1
278.11737	85.7
288.10010	4.0
305.12927	12.6
306.11237	100.0
323.13846	25.4
324.12305	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	341.1857
Annotation	Alstoyunine A
Peak:m/z	Relative Intensity
52.63264	2.3
57.29051	2.2
66.55723	2.8
67.05846	2.2
67.98485	2.7
70.06587	7.4
72.08142	12.6
84.04479	3.0
84.08123	9.1
91.05466	14.1
91.71133	5.8
91.71623	4.0
93.06986	2.7
105.07025	81.2
112.11263	8.7
119.04967	9.8
122.09654	34.6
129.07025	4.8
129.70573	2.7
131.08604	5.1
132.08144	3.7
137.05974	98.9
146.09656	6.9
157.06403	3.4
161.05956	19.6
175.07518	7.5
202.08582	3.9
220.09665	100.0
261.12607	3.3
341.18561	59.3
349.38498	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1959
Annotation	Pentamidine
Peak:m/z	Relative Intensity
51.95555	17.1
52.33590	16.5
55.05503	34.0
57.03436	48.2
66.94022	16.5
67.05492	88.0
68.68815	21.4
69.03413	90.2
69.07050	34.8
74.97596	17.5
79.05473	75.4
81.07052	100.0
85.06542	29.0
91.05459	89.5
93.07034	82.0
95.04981	28.8
95.08588	66.6
105.07029	85.5
107.04933	62.7
107.08559	41.8
109.06489	62.0
117.07003	45.7
119.08591	60.6
121.06451	21.2
121.10180	26.1
123.08113	40.2
129.07022	32.3
131.08531	58.5
133.10088	39.2
135.08047	30.4
137.05997	42.3
143.08598	26.7
149.09607	21.8
151.58626	17.3
157.10088	30.2
179.12634	38.5
181.02940	19.5
183.16949	19.2
184.76100	23.9
202.73161	24.5
305.17233	29.7
323.18723	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	341.3048
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
53.27020	6.2
55.05495	12.3
55.33652	6.3
57.03415	23.6
57.07064	78.0
67.05484	14.0
69.07058	15.0
71.08612	56.7
71.86896	7.4
81.07043	25.3
83.08600	10.4
85.10167	24.4
88.64114	7.8
93.56956	8.5
95.08599	23.6
97.10186	10.2
109.27554	6.6
127.06075	7.9
133.90718	9.3
185.11172	9.7
340.10529	10.3
341.30441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57119	5.6
55.05506	42.0
57.07061	42.6
57.54263	6.9
60.37981	7.5
66.67159	5.8
67.05495	21.9
68.37731	6.2
69.03393	8.1
69.07057	100.0
71.08630	15.2
81.07038	51.3
83.08624	54.2
85.10188	9.7
88.77370	6.2
89.78879	10.2
93.07052	12.0
95.08575	42.1
97.10183	33.2
102.19061	7.4
103.56492	7.3
105.06989	8.0
107.08553	17.2
109.10169	18.4
111.11698	18.9
121.10158	14.0
123.11731	12.7
133.10165	13.6
135.11761	12.2
137.05980	10.5
137.13268	12.4
161.13271	12.5
179.14343	9.9
268.68442	8.2
287.10419	9.0
341.26715	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	342.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	3.5
59.66568	1.3
65.35889	1.3
65.99964	1.2
66.80239	1.1
70.78940	1.8
72.08144	1.4
84.04498	93.0
84.08141	9.1
85.02884	1.4
88.07632	1.6
88.19179	1.3
100.07630	6.5
101.07134	9.0
102.05552	3.2
121.57398	1.5
130.05002	100.0
130.08656	4.7
147.07642	88.5
147.11281	5.7
148.06064	5.7
161.15311	1.3
161.22359	1.5
169.87947	1.4
189.18713	1.5
196.06395	19.3
306.92911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1333
Annotation	Isocaryachine N-oxide
Peak:m/z	Relative Intensity
50.03630	2.5
57.03402	3.3
60.78160	2.5
64.32552	3.5
69.03416	3.0
71.56705	3.1
74.45528	2.8
75.06712	2.7
85.02892	34.1
91.05459	3.9
91.71597	7.6
92.90047	3.5
97.25188	3.3
107.04945	36.9
108.12712	3.3
118.06537	12.7
119.04991	4.6
131.04926	7.2
143.07281	9.4
146.05978	31.3
156.08095	12.9
171.06776	13.9
184.07603	16.5
190.87061	3.5
202.08611	4.2
207.08031	5.7
209.96413	4.1
217.08652	3.8
222.09140	7.2
232.11194	3.4
240.10173	14.9
250.12227	6.3
260.10626	19.8
278.11710	55.7
288.10141	6.3
306.11212	59.3
324.12268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1336
Annotation	Eletefine
Peak:m/z	Relative Intensity
56.05034	14.0
59.39345	1.4
69.55268	1.4
70.06582	3.2
72.08155	3.2
85.02918	1.7
86.09694	3.8
91.71706	1.9
107.04968	3.9
119.04921	2.6
137.05948	2.4
144.08109	4.1
145.06500	2.2
157.06454	1.7
162.09146	3.1
173.05972	6.0
185.05965	4.2
201.05470	14.3
202.07841	2.4
207.08031	2.2
213.05424	5.7
221.09612	7.0
234.06767	2.8
235.07675	2.4
249.09084	8.4
251.06917	2.2
261.09219	2.5
267.06601	3.8
267.10178	4.7
277.08551	67.2
278.08838	2.2
279.09958	3.9
289.08615	7.4
295.09583	27.9
304.92154	1.8
306.11157	5.4
307.09586	10.6
323.67874	2.0
324.12268	100.0
342.13358	4.1
342.20862	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55477	3.5
53.63738	4.1
57.07061	6.1
70.06584	12.0
83.04953	6.8
84.08131	5.6
90.53546	4.2
98.97610	5.1
100.07613	29.0
110.07121	4.9
111.06690	6.5
112.05117	9.4
118.06523	5.4
119.21276	5.1
125.07086	5.4
146.19647	4.5
149.05954	6.6
149.08281	6.1
150.10362	5.3
162.05531	11.8
164.07024	9.1
166.08540	5.4
193.10832	55.4
208.06123	14.2
210.13478	100.0
249.96266	4.8
271.42078	5.2
323.87350	4.6
324.09583	5.3
342.17831	5.8
364.40799	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	342.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94939	6.3
87.46159	7.3
91.14299	7.3
94.11435	6.5
107.04964	29.0
121.06519	16.4
132.08121	18.2
138.06448	7.6
146.09750	7.5
177.48679	8.5
213.11461	9.1
226.12300	26.3
282.18457	100.0
342.20728	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83540	9.7
53.15664	8.1
57.32058	10.3
60.13490	12.1
65.35056	9.4
65.89765	10.8
67.41526	10.3
68.61926	9.3
85.99044	12.4
93.07040	14.1
95.08644	11.8
106.37305	10.8
107.04954	17.3
121.06492	33.6
282.18570	100.0
342.20828	27.0
353.62234	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	342.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84383	1.4
57.93222	1.5
58.06585	8.1
70.06574	7.0
70.41109	1.6
72.08147	100.0
84.08138	43.9
91.22969	1.9
92.27444	1.8
105.07032	3.2
107.04964	3.0
109.69946	1.8
112.11239	68.6
117.05764	2.0
121.06475	12.6
122.09690	2.1
125.48612	1.9
129.13847	9.3
132.08081	11.2
137.05992	6.7
138.06331	2.9
148.11212	2.0
160.11244	3.3
161.11986	3.2
205.70992	2.1
220.09758	2.2
226.12263	19.9
235.77759	1.7
247.79778	2.0
254.15363	5.4
268.17004	12.0
271.17999	11.9
284.74185	2.1
289.68713	2.0
325.22711	19.6
342.14111	2.4
342.19052	2.7
342.25354	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	342.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51105	2.0
53.65234	1.9
55.05503	3.2
57.07071	30.5
58.06591	2.2
62.06079	4.2
67.05479	2.7
69.07062	6.9
71.08630	14.4
73.02903	3.0
81.07065	6.2
83.08610	5.1
85.10170	7.9
91.71120	3.8
93.07035	3.4
95.08602	5.4
97.10161	4.2
106.13647	2.3
109.10088	3.7
125.21447	2.9
174.18546	7.7
258.44839	2.8
283.26312	100.0
342.33603	36.1
342.37332	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.1
56.96559	6.3
57.07069	13.9
58.06581	1.2
62.06062	5.2
71.08616	7.5
72.79481	1.0
81.80051	1.1
85.10159	1.2
95.94378	1.3
97.99177	1.6
116.14349	1.3
126.75366	1.2
149.04854	2.0
156.17439	1.8
172.06461	2.7
172.51598	1.2
174.18506	5.4
186.07762	1.3
211.07187	1.6
212.23674	2.0
230.24782	3.9
276.09146	2.5
294.09921	2.2
297.16763	1.5
301.14044	4.6
302.06796	1.8
320.08008	4.4
342.37274	100.0
343.09653	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89923	1.4
53.45201	1.4
56.96558	100.0
57.07057	3.1
65.79552	1.5
69.07059	1.7
74.58623	1.6
74.97600	1.7
97.99162	8.9
114.54024	1.6
117.88841	1.6
129.02275	4.8
131.03882	2.0
139.01834	5.2
147.03319	5.4
149.04849	10.6
156.76981	1.7
167.05914	3.0
170.04901	7.5
172.06447	13.2
179.00102	2.1
190.07526	5.7
195.08072	3.8
197.01184	12.4
202.01778	2.8
204.03271	2.4
209.35109	1.9
213.09120	3.6
215.02264	4.4
218.52386	1.7
220.02827	15.7
235.06416	2.1
238.03902	5.7
241.00244	4.2
243.04433	13.3
246.00723	4.3
253.07549	8.6
261.04950	2.6
264.01791	4.1
269.56790	1.8
271.08533	6.4
271.48837	1.7
276.09106	21.1
284.07132	3.0
287.03439	4.1
294.10028	11.8
297.06314	9.6
301.14114	10.7
302.06937	23.2
302.14368	6.3
317.11682	7.0
320.08035	27.7
342.37375	7.5
343.09619	46.5
343.17035	2.4
343.37589	4.7
344.10004	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	343.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37201	2.8
52.95914	3.1
70.06583	18.2
70.57008	3.0
72.08125	4.2
84.04494	6.1
84.95718	3.4
86.09689	14.9
91.05471	3.6
95.08556	3.5
104.75002	3.4
110.07204	4.3
115.05456	32.1
117.06995	9.5
124.49432	3.8
131.04944	4.9
132.05725	3.7
137.06012	4.1
143.04929	4.6
144.05710	8.3
154.96825	3.6
159.04408	12.0
160.05174	60.9
175.07526	100.0
184.07501	8.0
191.07104	5.8
201.05396	29.2
205.04889	4.7
219.06511	36.5
250.06439	4.2
277.91287	4.2
284.07773	5.9
306.98425	4.8
325.10855	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	343.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44369	3.4
55.10921	4.1
66.94595	4.0
69.07062	8.6
70.06572	19.4
84.08130	12.1
86.09703	34.4
91.71068	7.3
111.25637	4.5
115.05455	33.1
117.07026	8.0
128.27844	4.3
129.10271	10.7
130.05016	5.4
137.05942	5.3
143.04880	4.9
144.05655	8.3
151.61377	5.4
156.74734	4.4
159.04424	8.4
160.05177	61.0
175.07520	100.0
198.40234	4.8
201.05319	22.7
203.02316	5.4
219.06444	25.3
234.22052	5.2
242.78035	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	343.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77796	3.8
65.03927	4.1
70.06596	5.4
71.01349	40.1
73.44171	4.5
74.84377	3.7
75.48548	4.7
79.05468	10.3
80.05009	8.9
82.06578	20.9
86.09686	7.3
88.23097	3.9
91.05463	11.9
93.07037	49.1
94.06579	7.5
95.04946	7.0
103.05457	17.4
105.05722	5.1
106.06553	5.9
107.04939	32.8
107.07334	5.0
110.05994	4.6
118.06551	12.6
120.08085	39.4
122.05995	7.1
122.09634	8.9
129.32408	5.0
130.06499	7.3
132.04437	5.3
133.05196	6.1
134.06029	4.3
138.05469	7.6
146.06009	93.1
148.03931	15.5
148.07555	86.5
149.02673	5.4
150.09142	19.7
151.06232	6.9
166.04973	12.5
190.04987	17.0
193.25887	4.7
196.04207	5.7
223.08766	7.2
229.13304	28.8
238.95528	4.5
281.12811	100.0
283.10748	28.2
299.13907	41.8
325.11829	14.0
326.13614	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	343.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83670	2.9
56.96534	4.5
70.06583	11.6
72.08127	6.4
84.08141	10.8
86.09685	10.4
121.31064	4.7
129.10234	6.8
262.63873	4.0
282.11197	4.4
343.13602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55567	1.4
70.06557	7.0
72.08127	3.3
72.59957	1.7
84.08141	3.1
85.55448	1.8
86.09682	5.2
98.02286	1.9
107.90149	1.7
117.19048	2.0
129.41411	1.9
221.14771	2.1
234.41641	2.4
246.52412	2.1
343.13574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1652
Annotation	Humantenidine
Peak:m/z	Relative Intensity
53.03930	1.5
55.01857	1.7
69.03435	1.7
84.04496	13.9
84.90283	1.3
85.02895	25.5
91.05478	14.5
91.71355	1.9
93.07030	14.8
94.41118	1.4
95.01301	2.3
95.04945	5.0
102.05540	9.2
103.05446	11.3
106.06487	1.4
107.04952	28.9
107.07338	2.2
118.06516	2.3
120.08110	4.5
121.06496	82.1
129.07005	1.3
130.04991	100.0
130.06396	8.6
132.08087	3.6
143.07310	4.0
144.08087	7.5
146.09698	2.4
158.09645	13.6
160.07610	5.8
162.09128	8.3
168.08096	5.4
171.78278	1.5
173.08385	6.2
174.09116	5.7
186.09120	28.7
204.10245	2.9
206.08038	1.4
214.08618	6.4
220.09750	3.3
224.10738	2.1
226.10291	1.4
232.09662	21.5
252.13881	4.9
280.10748	1.1
280.13281	75.3
297.15997	9.4
326.13824	90.8
343.16449	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	3.5
66.79353	1.5
67.05481	6.5
67.15598	1.9
67.84969	1.8
80.16917	2.0
81.07044	4.1
82.05306	1.7
91.05470	10.0
93.07012	2.5
103.05476	6.9
103.23677	1.8
107.04935	39.6
110.06011	1.9
113.02377	4.0
119.08595	2.5
121.06504	18.5
130.04991	2.9
130.06523	28.3
133.10155	2.2
138.72643	2.1
141.06941	2.8
152.95593	2.3
159.06816	4.7
169.10167	3.4
171.09200	4.3
172.07561	2.6
179.08545	12.1
196.08824	5.1
202.06017	2.4
206.09671	8.1
211.22058	2.1
222.09084	3.1
224.10684	100.0
264.55576	2.5
266.11774	8.3
283.14471	12.8
284.12766	73.9
326.13837	9.5
343.16476	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	2.1
58.59832	0.6
58.77686	0.7
61.67243	0.6
66.36587	0.5
67.05490	2.1
69.42590	0.6
72.08141	2.8
79.81226	0.5
84.08133	100.0
85.06519	1.3
85.08450	0.7
107.04942	0.7
112.11224	1.5
120.08140	1.5
121.06470	1.0
130.08633	41.6
139.73244	0.7
173.12027	0.8
220.91783	0.6
280.17023	2.3
285.40063	0.7
301.22354	0.7
311.82822	0.8
343.20093	9.5
343.24716	0.9
343.25693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99175	0.8
56.05021	4.8
67.05491	3.3
70.06583	1.3
74.86514	1.0
80.25909	1.0
84.08135	100.0
85.06546	1.3
90.92161	1.0
93.07034	1.7
95.04971	1.9
101.59325	1.0
103.05460	1.2
107.04964	5.1
112.07653	1.7
120.08091	6.2
121.06491	9.8
130.06520	1.9
130.08632	18.0
147.19084	1.2
173.11989	28.1
173.13431	2.0
178.08191	1.4
201.60805	1.0
214.12306	5.1
216.81766	1.0
251.05855	1.3
252.13879	3.6
268.33783	1.1
280.16934	74.4
281.17380	1.6
282.49994	1.3
326.17493	42.0
343.20108	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	343.2113
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.01856	18.8
55.05494	25.0
56.96539	22.8
57.03414	15.5
58.31049	14.0
60.36348	14.1
61.94367	14.7
62.99512	13.9
63.88168	14.1
67.05494	60.4
69.07050	36.8
69.11294	14.5
74.05647	13.7
75.68539	14.9
79.05459	30.9
79.78916	14.1
81.07052	100.0
87.00525	15.3
91.05479	41.6
93.07037	71.2
95.04966	25.1
95.08608	41.0
95.45345	14.2
97.06480	21.8
105.07019	49.8
107.04948	19.2
107.08585	24.3
109.06532	27.7
109.10146	18.3
112.69764	15.3
117.07037	25.7
118.95639	19.3
119.08592	28.4
121.10170	19.6
131.08577	21.2
133.10205	24.4
133.55348	16.2
209.70032	19.6
218.22717	17.8
260.75082	19.2
279.19467	34.2
288.96002	18.3
325.20239	99.0
356.94006	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	343.2242
Annotation	E-64d
Peak:m/z	Relative Intensity
54.14180	3.3
54.31081	3.3
55.56707	3.8
78.95496	3.8
91.71677	4.8
92.13075	3.8
95.08604	8.0
105.03413	8.4
107.08579	4.4
117.34518	4.9
127.45138	4.2
239.86937	4.7
239.98073	5.0
265.60626	5.4
272.00510	5.8
326.33609	5.3
343.22375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75957	7.2
55.01867	11.4
55.05497	18.4
57.03425	19.2
57.07054	11.7
67.05491	38.5
69.03416	14.6
69.07043	10.3
71.04980	26.0
79.05486	23.6
81.07046	40.1
91.05463	48.9
93.07036	79.6
95.04954	84.1
95.08598	100.0
97.06508	26.4
105.07027	94.0
107.08588	62.2
107.38577	8.5
109.06512	19.3
115.05507	12.9
117.07005	31.5
119.08596	33.8
121.06514	21.6
121.10153	23.7
123.08086	26.2
131.08615	13.2
133.10106	12.5
135.08047	26.1
135.11700	24.0
137.09540	8.8
143.08563	11.0
145.10100	99.4
151.07516	44.5
163.11189	59.9
165.09128	17.2
221.15385	23.0
266.77606	9.8
274.10797	9.2
301.98590	12.0
307.14484	9.8
343.22702	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57676	7.9
54.63646	8.5
55.05488	15.4
57.07071	10.3
66.53384	9.6
67.05487	37.6
69.03419	12.3
71.04981	17.2
71.55783	9.6
76.07275	10.1
79.05504	15.5
81.07027	27.5
91.05474	46.6
93.07035	72.7
95.04958	65.0
95.08602	100.0
97.06518	26.4
105.07036	72.6
107.08597	34.6
108.61143	11.2
117.07039	22.1
119.08624	24.5
121.06489	15.2
121.10123	18.1
121.84665	9.3
123.08060	26.6
123.85371	10.2
125.63415	9.4
130.07747	15.0
133.10167	12.8
135.08038	16.9
135.11557	11.9
139.87971	10.1
145.10085	84.3
151.07541	35.2
163.11188	48.3
165.09167	11.3
185.13248	11.8
187.31398	11.3
215.78000	10.7
221.15407	25.9
239.64282	13.0
343.22620	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71659	5.7
51.21008	7.1
55.01881	11.3
55.05510	15.8
55.76248	5.6
57.03436	7.6
57.07085	15.1
59.05015	6.9
59.29342	6.3
67.05495	43.4
67.35561	7.9
69.07059	9.0
71.05009	22.0
77.48499	6.8
79.05513	22.9
80.60875	6.8
81.07080	34.9
91.05471	51.7
91.71006	9.5
93.07040	89.7
95.04965	68.0
95.08605	91.9
97.06560	25.7
105.07024	100.0
105.07564	7.7
107.05035	9.4
107.08611	56.5
109.06519	13.0
114.52416	7.2
117.07059	33.8
119.08626	31.5
121.06543	18.3
121.10214	23.3
123.08083	29.6
129.07066	14.9
130.07831	16.9
131.08612	11.2
133.10175	22.5
135.08063	21.5
135.11670	18.9
140.00273	9.9
145.10115	78.6
146.95216	9.4
151.07550	43.2
157.10207	11.6
159.11697	13.6
161.09700	9.9
163.11195	48.5
164.98296	7.8
165.09169	8.9
171.11856	9.6
189.12825	8.1
221.15456	22.5
232.13629	8.4
279.38779	8.4
325.21899	11.5
343.22714	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.10842	10.6
55.05494	35.2
57.03419	17.8
57.07084	9.9
59.34590	9.7
67.05486	28.3
69.03398	16.8
69.07050	16.0
70.76410	12.7
71.04967	11.9
79.05489	17.5
79.48125	9.9
81.07039	31.5
91.05457	21.8
91.71652	13.1
91.91644	10.7
93.07044	73.8
95.04942	33.4
95.08601	100.0
97.06548	13.5
97.35469	11.0
105.07027	58.0
107.08578	53.1
117.07025	24.0
119.08568	26.0
121.10133	13.9
123.08063	18.6
133.10103	15.9
135.08032	15.3
135.11697	16.3
137.14270	13.8
145.10098	72.9
147.08105	13.3
151.07501	23.8
163.11165	37.1
165.09079	17.1
184.12285	13.6
188.62772	15.6
221.15402	21.5
343.22675	60.3
356.23230	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25939	0.8
56.53637	0.9
57.03432	1.8
57.31152	1.0
69.03428	5.5
70.06573	7.1
71.84344	1.0
72.08158	2.3
81.03403	1.5
84.04485	1.9
84.08146	2.3
85.02898	21.3
85.03365	1.7
86.09726	4.3
86.27292	1.0
91.05466	6.4
97.02901	6.4
98.25089	1.3
109.02881	2.5
116.07108	2.3
119.04932	18.9
119.05631	1.4
123.04462	2.7
127.03928	2.4
145.05003	2.8
147.04401	100.0
156.40840	1.4
165.05460	52.2
180.08704	2.4
198.95389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.9
61.02913	1.2
69.03410	3.5
70.06585	9.7
72.08163	2.0
81.03405	1.5
84.04455	1.5
84.08128	3.7
85.02901	22.2
86.09703	6.0
91.05477	6.3
92.87935	1.3
97.02878	5.1
99.27628	1.4
103.80362	1.4
116.07110	2.1
119.04940	23.1
123.04428	2.2
127.03918	2.2
129.10263	3.3
132.59761	1.4
145.04944	3.0
147.04402	100.0
164.18317	1.5
165.05460	43.0
217.06940	1.5
288.81488	1.7
302.72101	1.5
307.56604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	(+)-Limousamine
Peak:m/z	Relative Intensity
51.02365	1.0
51.20964	1.0
55.01877	1.0
57.01776	1.0
57.03413	1.2
58.08691	0.9
63.63647	1.0
69.53829	1.5
76.39201	1.3
77.41890	1.1
79.05458	1.6
79.97728	1.2
81.56033	1.3
85.02893	27.0
91.05466	12.2
93.07031	18.3
94.07343	1.1
95.04980	6.0
103.05459	9.8
106.06551	5.9
107.04945	100.0
107.07320	25.4
115.66116	1.2
117.05711	2.6
118.06561	3.6
119.07361	2.1
120.08092	15.1
121.06496	95.2
130.06535	9.0
131.03395	2.6
131.31915	1.3
132.04442	2.0
132.08087	4.3
143.07295	6.6
144.08081	6.9
146.09644	2.5
156.08075	3.5
156.39848	1.4
157.08861	1.4
158.05986	1.8
158.09654	19.6
160.07553	5.4
162.09128	4.4
165.17319	1.6
168.08066	8.8
172.07600	1.8
173.08357	7.6
174.09085	6.5
179.08479	2.0
186.09135	31.2
204.10242	3.8
213.11514	8.8
214.08650	4.8
214.12204	9.1
220.09760	2.1
224.10773	4.2
232.09662	14.0
252.13834	9.5
270.71210	1.5
280.13293	80.6
281.13904	1.7
298.14359	67.9
308.12720	1.5
326.13837	31.2
344.14890	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1491
Annotation	O-Methylflavinine
Peak:m/z	Relative Intensity
50.57100	22.0
63.81205	26.4
73.84599	25.6
78.04671	30.1
85.02917	61.6
91.05492	27.2
91.56859	30.0
104.99272	34.5
107.04990	68.8
146.06050	29.6
161.20340	30.8
237.50877	34.3
247.49939	28.0
280.13339	71.1
294.63879	32.7
305.36014	33.6
308.12769	71.6
326.13840	100.0
344.15173	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	344.1492
Annotation	11-O-Acetylhaemanthamine
Peak:m/z	Relative Intensity
59.36410	2.4
68.58190	2.5
71.58594	2.4
72.03095	2.7
81.07029	3.9
91.05492	7.9
92.41069	2.5
93.07027	14.2
103.05455	10.2
104.43754	2.6
104.99294	5.0
107.04961	23.8
108.89267	2.8
121.06501	100.0
130.06531	15.0
131.03391	18.4
132.08102	6.4
144.08081	57.5
145.25439	3.2
169.12671	3.6
170.63794	3.1
172.07632	5.2
177.60216	2.8
206.09680	3.2
224.10704	24.3
238.12231	20.4
240.13832	5.1
256.13403	7.6
259.79968	3.3
284.12802	34.5
298.14404	7.5
302.13937	8.0
320.78952	4.2
344.14923	19.2
360.16891	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	344.1493
Annotation	O-Methylflavinine
Peak:m/z	Relative Intensity
52.70143	0.8
56.05024	1.0
60.57494	0.9
65.49882	1.2
70.06589	5.7
72.08149	2.0
77.80967	0.9
79.09603	0.8
84.08099	0.9
86.09695	3.4
91.05468	2.5
95.04945	1.8
101.35153	1.0
103.50021	0.8
105.03412	1.1
105.60003	1.1
107.04948	33.3
115.05550	1.1
117.21546	1.2
119.04918	2.5
121.02811	1.2
129.07063	1.3
131.04907	1.5
132.05304	1.2
141.06976	1.3
145.06503	1.6
147.04440	1.2
159.04344	1.1
159.08041	8.9
161.06046	2.2
169.06471	4.1
173.05986	1.9
175.03957	2.7
175.07539	3.8
187.07533	27.3
189.05434	2.8
197.05971	4.6
200.04747	1.2
203.07011	10.3
215.07018	55.2
230.96512	1.4
236.80060	1.1
244.49014	1.1
275.84317	1.1
281.11737	2.7
291.10037	1.7
297.11221	1.3
308.12863	1.3
309.11218	23.3
326.13840	100.0
327.14032	1.5
344.14789	2.1
348.98969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
58.99559	2.1
66.91015	1.2
69.07043	1.9
69.94691	1.3
70.06583	6.7
72.08139	1.7
76.02213	4.9
83.04982	6.1
84.04490	1.8
84.08122	2.6
86.00661	8.1
86.09692	5.0
91.05474	5.3
93.07038	10.9
95.04937	2.5
97.06529	2.4
100.63233	1.6
101.00599	5.1
101.59262	1.4
103.05435	1.8
106.68634	1.2
107.08582	2.4
121.06520	11.3
122.02746	8.6
123.08050	1.6
125.09646	3.4
132.01141	12.6
135.11673	2.1
137.09692	1.7
149.05963	100.0
161.40343	1.5
163.11200	2.4
187.11238	2.1
205.12204	57.0
214.22972	1.6
238.79796	1.6
241.03915	1.6
251.55855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
58.99583	2.8
67.05466	1.2
67.35320	1.0
67.43051	1.0
69.07047	1.5
70.06580	5.7
70.44215	1.2
76.02235	3.0
83.04990	1.5
84.08142	9.2
86.00671	4.6
86.09695	8.8
91.05493	5.3
91.71599	1.9
93.07040	9.1
95.04978	2.5
95.08629	1.2
101.00641	3.7
105.00097	1.8
107.04958	6.6
107.08617	2.6
121.06521	8.7
122.02725	6.4
123.08042	6.1
125.09644	1.3
129.10242	9.8
132.01141	6.7
135.11731	5.0
149.05968	100.0
159.11729	1.3
163.11226	3.1
178.03214	2.0
205.12222	52.6
208.04323	1.4
267.62811	1.5
299.92676	1.4
342.16159	1.3
344.15134	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1531
Annotation	Ser Thr His
Peak:m/z	Relative Intensity
56.96556	12.2
59.41265	3.0
62.58039	3.2
65.52754	3.4
81.07045	4.3
98.97544	3.8
101.86257	3.2
104.99250	5.8
116.98613	4.2
175.02811	6.7
193.03694	4.0
198.04492	3.7
200.58093	4.0
224.03438	5.4
247.05165	4.8
248.78600	3.2
251.21472	3.3
252.06694	4.8
275.08340	12.7
303.12766	4.8
321.13721	24.6
344.15305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1532
Annotation	Ser Thr His
Peak:m/z	Relative Intensity
52.91282	1.1
56.96560	17.1
57.08175	1.0
60.90224	1.0
67.05506	1.5
97.99181	2.0
98.97536	1.6
101.35558	1.2
104.99276	2.4
107.04993	1.5
114.09154	1.6
116.98611	1.6
146.99641	1.9
157.01617	1.6
171.03265	2.0
175.02809	2.8
189.04416	2.4
191.71344	1.2
193.03825	1.8
194.04912	2.7
198.04399	1.8
211.19641	1.5
212.05922	1.5
224.03685	1.4
247.05183	1.4
248.09587	1.4
252.06696	3.4
262.07593	1.9
275.08414	6.8
285.11673	1.3
302.14206	2.1
303.12701	9.8
321.13718	24.3
325.35907	1.5
326.13965	2.2
339.14642	1.7
344.15308	100.0
344.31400	3.4
345.15576	5.0
362.16367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2945
Annotation	(+)-17-Oxocycloprotobuxine
Peak:m/z	Relative Intensity
51.37386	1.7
58.43249	2.4
58.48404	2.0
59.44098	2.0
65.03942	2.4
80.52299	1.9
91.05476	100.0
96.62841	2.4
108.08157	6.7
142.08604	2.8
189.47147	2.5
344.29346	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	344.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25283	0.9
57.07067	6.6
67.05489	2.1
67.06178	1.3
67.34701	1.2
70.06586	21.1
71.08612	3.4
79.55978	1.0
81.07031	1.6
83.08613	1.5
88.07620	60.9
95.08624	2.5
104.99258	1.6
105.46731	1.1
106.08659	100.0
109.10123	1.8
113.82981	1.1
117.97363	1.1
119.22079	1.1
141.55101	1.4
158.25484	1.3
237.63350	1.3
283.26270	10.4
326.30734	1.5
344.22537	1.7
344.27328	1.9
344.31470	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	345.1444
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
60.04518	3.8
91.05471	20.1
91.71017	2.5
91.71518	4.5
103.05472	7.2
118.06551	3.5
120.08091	4.0
123.04416	41.6
130.06517	33.5
134.36555	2.0
137.05980	12.4
144.08067	2.3
146.06050	3.0
152.06166	1.9
156.87212	1.8
159.06807	6.1
167.08553	15.9
168.08130	4.9
172.07584	7.0
172.12328	2.0
177.07112	2.1
189.20705	2.4
194.09668	9.3
195.08055	7.1
212.08353	4.3
222.09169	15.5
240.10164	100.0
247.21832	2.2
256.13358	4.3
282.11261	14.1
286.10727	49.8
299.13928	27.0
310.10864	2.5
328.11890	8.6
345.14362	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	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74681	7.6
67.24101	7.2
70.06580	19.5
71.10391	6.7
71.90749	7.4
72.08124	11.2
73.19169	7.6
73.62076	7.4
85.84791	9.4
86.09669	11.6
92.18686	7.0
97.41037	7.0
108.36259	8.8
185.01878	11.3
216.46094	8.2
238.88541	9.1
242.46957	9.7
261.69946	11.8
345.15161	100.0
359.06924	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	345.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
56.53862	2.1
57.05816	1.9
70.06574	9.3
72.08144	100.0
73.44653	2.0
84.08128	3.5
86.09694	44.7
99.29344	2.2
107.04945	8.3
108.78615	2.1
116.07089	2.7
127.12568	1.9
129.27821	2.4
129.39462	1.9
141.10239	2.1
143.11798	16.8
155.08492	2.1
168.44012	2.7
171.11258	6.7
175.10742	18.2
200.14026	2.6
212.00259	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	345.2398
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
58.59112	1.9
60.23746	2.0
82.55214	2.7
95.08627	2.9
104.99259	9.9
107.93011	2.9
111.35825	2.3
133.55571	2.8
208.68002	2.9
248.90562	2.8
262.98102	7.0
267.94955	2.8
327.22852	5.9
345.23972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.24
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03181	6.3
79.05511	5.7
84.11392	7.0
91.02206	6.1
91.05474	36.2
102.04771	6.5
103.79252	5.8
104.48274	7.4
104.99258	49.1
105.07031	76.1
107.04898	6.0
113.51259	6.6
116.80827	5.4
117.07043	12.3
135.08054	8.8
184.62610	7.0
194.07326	11.5
215.08636	7.0
217.34578	6.9
222.10326	10.2
223.11345	10.3
231.11653	26.5
246.46176	7.3
257.07919	7.4
262.98160	20.9
287.88879	8.6
322.31796	10.5
327.17578	14.7
345.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2399
Annotation	Lamtidine
Peak:m/z	Relative Intensity
50.37841	5.8
51.29144	6.7
55.05510	6.3
57.07071	6.4
58.98843	5.5
62.06060	7.4
64.84399	6.5
64.98967	6.0
81.07037	11.9
95.08610	8.0
104.99274	34.0
107.03178	8.2
244.03246	9.5
262.98114	18.0
302.75101	8.1
312.63120	8.8
345.23962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2423
Annotation	11-HDOHE
Peak:m/z	Relative Intensity
56.46789	20.6
67.05502	62.3
79.05495	33.1
80.10778	26.9
81.07076	60.7
91.05537	39.3
91.57050	27.9
93.07053	62.6
95.08598	45.0
104.99293	61.9
105.07065	39.6
107.08654	38.4
116.91631	24.8
117.07050	32.2
119.08656	38.1
119.94167	29.1
121.10168	46.1
135.11597	31.1
142.07910	26.2
144.69170	27.4
145.10158	36.1
185.13182	29.2
253.53384	39.0
262.98245	46.4
267.21188	100.0
327.23221	36.1
344.17218	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	345.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50045	4.5
77.25791	4.2
104.99265	27.9
131.08566	38.4
143.08597	7.3
159.11653	7.1
173.13237	100.0
180.78731	5.0
185.13348	14.6
188.04012	4.9
189.21265	4.8
255.21080	9.0
315.49817	5.3
344.33197	5.5
345.23947	8.9
345.33429	9.3
353.18634	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	345.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90082	9.0
55.05500	22.6
56.70430	10.4
57.03426	69.9
57.07055	11.5
67.05498	70.5
69.07047	47.1
75.04485	55.7
80.64696	10.7
81.07034	72.3
83.08596	35.2
91.05472	9.6
93.05497	21.0
95.08595	100.0
103.03954	16.6
104.99261	60.3
109.10144	39.5
112.81044	8.5
117.13258	10.5
118.72331	12.3
123.11749	18.0
142.48392	9.8
154.90044	9.1
190.22586	10.9
207.21002	15.9
262.98117	27.0
327.25336	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	345.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89904	10.1
54.19651	10.9
55.05507	40.2
57.03433	100.0
57.07051	20.6
63.04310	10.7
67.05491	70.5
67.90593	12.2
69.07058	48.7
72.68439	12.5
75.04453	47.7
77.87978	12.6
81.07057	78.4
83.08636	23.2
85.85701	13.6
93.05542	22.5
93.07069	14.7
95.08604	95.1
97.10154	16.5
98.06034	14.1
103.03961	15.6
104.99258	44.3
109.10176	50.1
128.94745	15.6
149.07574	14.5
192.06305	15.0
262.98218	35.7
304.50720	14.7
327.25348	49.6
332.17352	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	346.1282
Annotation	Candimine
Peak:m/z	Relative Intensity
55.59700	3.4
58.93594	3.7
64.52522	4.5
68.80248	3.7
71.10295	3.6
82.33516	4.7
91.05471	19.4
93.07049	9.6
95.04943	5.6
103.05457	5.6
103.49667	4.4
104.90112	4.2
107.04948	56.2
111.60094	4.3
115.05441	12.6
117.05762	11.7
118.06528	12.9
119.04913	28.6
120.08154	4.5
120.21506	4.6
121.06519	43.8
130.06517	14.7
131.01399	4.0
132.08096	17.4
142.06535	12.9
144.08070	6.9
145.05214	15.7
146.06001	10.4
157.05252	10.0
158.06058	4.9
160.07545	34.3
170.05995	13.4
172.07564	5.8
188.07056	34.0
194.07213	6.8
211.09897	12.2
217.08856	6.4
218.09776	6.9
219.07945	6.6
220.07588	4.7
221.08212	7.6
222.07054	4.9
223.07611	5.6
223.09779	5.5
234.07607	11.9
236.10680	50.9
238.08594	10.4
239.09398	27.0
246.09215	5.9
254.11717	24.7
264.10205	38.5
273.62418	5.7
282.11212	100.0
300.12277	8.2
310.10699	22.4
328.11801	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	346.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10299	12.9
61.54021	12.1
67.05496	21.1
70.06580	27.3
72.20116	17.0
74.18375	18.2
76.02219	18.9
77.66632	14.3
79.05488	18.7
80.96725	15.9
84.04476	19.9
84.08155	33.3
86.09705	80.5
91.05470	69.1
93.07033	22.0
96.57415	13.3
100.99026	15.2
103.22376	14.6
103.62827	14.5
105.07031	48.9
108.08105	28.6
117.07024	18.4
117.44580	15.2
119.08569	99.1
120.08093	30.2
122.02701	76.6
124.07540	16.5
128.10742	15.8
129.07034	18.2
133.10117	28.6
143.08582	23.1
143.97424	15.0
147.08075	39.3
158.07011	15.3
161.09636	100.0
166.69676	17.5
179.10670	28.9
189.09116	67.5
207.10236	33.4
278.05493	16.7
323.17764	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	346.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25514	1.1
63.80779	0.9
67.05476	1.1
77.03931	1.4
84.48927	1.4
91.05460	7.2
92.64869	1.0
93.07032	8.3
95.04963	4.2
103.05465	5.3
107.04950	22.9
108.05255	1.0
109.10255	1.1
118.06570	2.4
120.12875	1.1
121.06493	27.9
123.04418	7.6
128.18414	1.1
130.06543	2.4
143.07304	1.7
151.52097	1.3
152.07111	1.2
153.93961	1.2
167.07355	1.7
179.08626	1.4
193.08896	4.0
194.09572	8.0
199.40839	1.3
206.09630	8.4
207.06772	6.3
220.07516	2.0
221.08315	6.3
222.09142	20.9
234.09029	10.0
237.19920	1.2
238.08679	2.8
239.09430	5.0
240.09999	1.9
252.10107	9.2
263.11612	1.8
302.10349	1.3
328.13113	6.6
346.14346	100.0
347.14557	2.3
350.23715	1.2
357.71042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32249	1.0
52.68764	1.0
66.36031	1.0
91.05517	2.0
107.04967	2.2
121.06489	3.1
121.32037	1.1
167.07339	2.0
168.08099	2.4
182.09673	8.1
183.10449	4.3
193.08577	1.3
194.09615	1.7
208.79526	1.3
210.09079	1.9
211.09920	47.8
222.09145	2.9
222.89052	1.2
239.09412	35.8
240.10243	6.0
274.27298	2.8
318.14847	25.4
346.14362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
58.99575	3.1
60.48865	1.1
61.01141	51.7
68.58682	1.1
70.47973	1.1
71.22076	1.2
75.02708	2.1
78.20381	1.3
78.43104	1.1
85.01129	2.0
85.02883	5.9
87.02683	33.9
91.05445	2.6
93.07034	1.7
103.05447	1.7
105.00091	1.8
105.03714	2.9
107.04945	24.8
107.05602	2.4
107.07330	5.3
120.08073	1.9
121.06491	14.4
130.06525	3.0
132.08092	3.0
133.03181	100.0
143.07301	3.0
144.08104	3.0
145.08859	2.1
157.08885	1.9
158.09612	4.7
217.47359	1.5
221.01759	1.4
226.12268	4.8
243.57339	1.6
252.13809	18.5
300.14111	24.2
346.14700	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18791	5.2
53.02760	6.0
55.43790	5.9
56.05009	7.3
61.01163	5.1
62.60672	5.1
65.25355	5.5
69.03408	28.6
70.06570	15.2
70.63245	6.6
72.08144	15.4
72.99468	7.1
81.03402	12.3
84.04519	6.8
85.02893	100.0
86.09698	22.3
88.04002	7.4
93.07001	6.0
97.02896	32.9
107.04937	52.7
108.08128	17.5
109.02878	9.6
111.90837	6.4
116.07050	13.8
120.08031	6.6
127.03925	16.4
128.98872	7.1
133.32695	7.6
136.68874	6.3
145.04968	20.7
149.05980	20.8
154.81569	7.5
162.63609	6.7
167.07030	8.6
180.08731	10.9
187.54956	6.9
208.86990	7.2
247.99832	7.8
346.15033	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	346.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68728	0.3
55.61668	0.3
59.29356	0.3
61.69485	0.3
68.05018	0.4
70.06584	100.0
84.08133	0.6
86.09706	0.7
89.69852	0.4
92.03535	0.3
96.38421	0.3
107.04939	2.2
108.08107	0.4
116.07133	0.4
152.07199	0.4
162.36133	0.3
208.47832	0.4
222.11339	0.5
224.87355	0.4
303.42145	0.5
314.12314	0.4
346.16525	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	346.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85579	0.5
59.58902	0.5
70.06583	100.0
72.08145	2.1
84.04533	0.9
106.62262	0.7
107.04958	1.5
115.58926	0.6
166.08595	0.9
171.88564	0.7
200.80702	0.7
228.41298	0.8
328.15369	0.8
346.16788	0.8
366.48758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	42.4
64.59550	6.3
82.87782	6.8
91.05491	7.5
91.09499	7.5
96.47247	6.6
112.93517	7.1
118.90163	6.8
137.05913	7.0
194.08162	8.6
241.44502	7.5
260.92743	7.5
271.65756	6.9
287.13364	24.9
305.14221	23.3
328.15833	100.0
345.24042	12.4
346.17154	19.9
363.72900	8.2
369.18512	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51919	17.4
51.81262	18.4
57.07074	85.3
70.16929	24.1
91.05505	100.0
93.07016	25.1
96.01057	21.2
96.19274	19.2
107.99364	24.6
134.01208	21.6
135.02512	22.9
142.11707	23.1
149.05992	36.4
155.02631	40.9
180.14091	20.7
217.06366	47.2
262.86035	32.0
313.88760	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	346.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.2
56.86254	4.4
62.06081	100.0
62.06370	7.7
67.05501	36.2
69.07059	12.0
73.66490	4.1
78.01746	4.7
79.05506	20.9
81.07082	20.2
82.34866	4.4
88.07630	7.5
91.05473	26.1
93.07074	22.6
95.08631	17.2
95.64198	4.5
97.06594	4.6
105.07053	20.7
107.08600	7.7
111.08134	4.7
119.08623	13.3
120.48061	5.2
121.10210	5.8
121.86497	5.2
131.08548	12.4
133.10211	13.3
138.45169	4.6
145.10185	15.5
159.11705	8.2
171.11719	5.5
201.16455	6.2
208.89505	5.9
209.93636	5.8
249.17033	5.7
284.32944	5.4
346.24158	8.9
346.27737	11.3
346.33359	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	346.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80761	8.4
55.05499	14.1
56.05014	11.7
57.07060	30.1
58.06583	10.9
60.04522	100.0
67.05491	37.6
69.07059	21.2
70.03016	9.4
70.06585	14.6
77.08482	8.1
79.05483	13.3
81.07044	26.0
83.08594	9.0
86.06073	24.9
86.09692	21.4
88.07608	15.3
89.61140	12.6
93.07030	23.1
93.33341	8.4
95.08617	35.8
107.08559	9.1
109.10155	12.7
110.06073	16.1
121.10169	19.6
234.14984	16.8
265.25348	17.7
282.27890	53.0
290.21384	13.9
292.26157	16.6
300.29010	16.6
302.98724	10.1
310.27240	20.6
323.25388	13.5
328.28503	42.2
346.27338	12.3
346.33325	14.8
348.67047	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3103
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
52.17670	0.3
55.93974	0.3
57.07059	1.0
65.03931	3.1
67.05492	0.5
71.08611	1.2
81.07050	0.7
85.10164	0.6
91.05470	100.0
92.05791	0.8
95.08586	0.6
97.10139	0.4
103.70970	0.3
108.08083	0.7
132.08076	0.8
147.85374	0.4
153.97913	0.3
196.01028	0.4
239.23729	0.5
346.31000	24.4
347.31192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	14.3
70.06584	28.2
71.08620	5.4
77.22749	1.5
88.07619	28.1
91.05447	2.2
106.08679	3.2
108.08095	2.6
114.09166	7.7
118.08634	3.2
132.10196	30.4
150.11250	24.0
271.26324	1.7
302.30487	7.9
346.23904	4.6
346.33130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11295	0.4
53.00288	0.5
54.83541	0.5
55.20828	0.5
55.64782	0.5
57.06805	0.9
57.07069	12.2
57.13841	0.5
58.06599	2.7
69.07062	0.8
70.06585	29.2
71.08629	4.8
72.08147	0.7
73.27558	0.5
78.25512	1.0
84.08109	0.8
85.10172	2.2
88.07624	36.0
91.05501	0.6
92.16528	0.5
102.09176	19.6
132.10170	1.6
146.11765	0.7
150.11215	1.5
159.73801	0.5
165.29500	0.6
167.89723	0.6
175.85802	0.6
224.73466	0.5
269.92877	0.6
284.29453	42.4
285.29922	0.8
328.32233	2.6
346.33142	100.0
347.33670	1.2
358.45389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	21.3
57.07060	15.6
58.06588	15.2
60.04508	7.0
66.60507	6.6
66.62236	6.6
67.05482	7.0
71.08621	10.7
71.43499	6.7
73.06518	6.5
74.06071	17.4
81.07038	19.1
82.31523	6.7
88.07604	69.7
90.81039	6.9
112.51792	7.0
118.08656	12.0
123.29338	8.3
209.36224	8.4
215.88245	7.5
284.29617	10.5
298.30969	42.9
346.33066	100.0
346.36948	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	347.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.1
56.64016	2.1
73.96671	3.0
75.73477	2.5
77.68697	2.9
103.72048	3.1
110.17588	2.9
144.08109	3.7
182.09660	3.3
199.08688	7.2
213.06580	5.9
213.10226	8.9
226.45779	3.1
227.08156	9.5
231.07626	4.9
241.09702	4.1
255.07489	14.1
255.11345	7.0
265.09720	5.4
267.48883	3.0
269.09177	13.6
273.08636	7.1
283.10776	22.0
283.27750	3.8
293.09357	6.1
301.11786	5.6
311.10205	46.2
311.13522	4.9
329.11319	57.7
347.12366	100.0
359.37109	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.84239	2.3
55.01844	8.3
58.83217	2.3
62.65274	2.3
64.54950	2.4
68.63215	2.2
70.06574	2.4
79.66438	2.2
79.79004	2.3
89.76188	3.0
118.77293	3.0
120.08129	2.8
162.05431	3.1
165.61192	2.6
178.04991	3.3
185.07095	5.7
199.08736	9.0
201.06512	5.9
211.08633	3.3
213.06596	8.0
213.10106	7.3
227.08141	10.2
227.11792	4.4
229.09889	3.6
231.07628	6.6
237.10159	3.7
241.09683	8.4
242.12592	2.9
255.07640	11.9
257.09177	4.2
265.09766	3.8
269.09271	7.6
273.08545	6.7
283.10724	33.4
287.10114	3.1
293.09015	5.5
301.11786	6.5
311.10208	45.7
329.11270	81.2
347.12332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01854	4.5
63.11689	3.2
65.03919	5.7
65.78006	3.1
67.05476	10.1
70.06573	15.4
71.06922	3.6
72.08143	17.7
84.04504	7.6
84.08140	30.7
86.09690	21.3
88.04018	4.3
91.04243	3.5
91.05446	4.6
92.04986	17.4
95.04987	4.5
103.14280	3.4
107.04939	4.2
108.04433	4.0
116.07062	4.0
120.04470	9.2
120.08109	20.1
122.05998	4.6
127.08683	4.8
128.10699	4.1
129.10239	29.4
136.07526	9.3
138.05521	14.7
164.07065	13.1
166.04997	14.9
170.09637	5.2
171.65959	3.5
172.81549	3.6
182.08124	9.0
185.10843	4.2
187.10745	11.7
193.05048	4.7
198.09142	13.2
199.08617	4.8
213.06631	3.9
213.10225	13.2
226.08636	19.6
227.08037	9.4
241.09737	23.7
255.11403	4.9
259.10657	5.8
265.33322	5.1
268.09683	7.2
269.09149	10.0
282.84833	5.0
283.10687	7.1
286.10831	8.9
287.10266	15.4
301.11728	15.6
311.10223	8.9
312.08728	4.3
319.12827	8.4
329.11212	8.0
347.12296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85359	4.5
54.50294	4.4
55.57661	5.0
60.65690	6.1
62.77659	4.7
63.45074	5.2
69.95672	5.3
70.06610	15.6
72.08172	6.6
76.95535	5.8
79.05480	11.5
81.15850	6.5
84.08134	8.3
86.09689	7.8
91.05497	7.4
106.06535	8.5
118.06543	8.5
136.06143	9.1
137.05951	8.6
146.06030	10.2
149.07101	7.6
152.07040	11.5
164.07074	8.5
178.05009	22.5
196.06041	100.0
275.49081	7.4
285.12369	12.1
286.10818	8.9
304.45590	7.2
346.42511	7.5
347.12305	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	347.1955
Annotation	Val Thr Gln
Peak:m/z	Relative Intensity
115.32599	3.1
134.20480	3.0
134.65237	3.5
158.49490	3.0
169.46202	3.0
179.11092	2.9
245.81924	3.7
347.19531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2216
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
54.07614	39.9
58.67460	42.6
67.05479	53.2
72.99662	46.2
77.46933	55.8
79.05418	46.7
91.05452	67.6
93.07024	93.9
95.11990	45.3
101.46144	45.8
117.40221	48.5
119.53373	47.0
193.26578	61.1
209.39836	57.7
249.53555	62.6
347.21942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73001	3.8
52.27308	3.6
54.59120	3.8
55.01888	4.6
55.05518	10.2
57.03430	5.5
58.76265	3.6
65.94087	4.4
66.92997	3.8
67.05505	18.6
69.07079	10.9
71.05010	4.4
73.02905	4.9
79.05486	25.9
79.93423	3.8
81.07050	100.0
83.04990	4.8
85.85257	4.4
91.05507	17.6
93.07045	25.9
95.04996	15.2
95.08641	14.9
99.04493	5.4
105.07047	11.6
107.08630	14.0
109.02986	5.8
109.06506	28.6
109.10195	14.3
115.03918	6.5
117.07059	5.5
119.08607	12.1
121.10133	8.4
123.08062	6.0
127.03942	10.0
133.10193	7.8
135.08067	4.7
137.06017	5.4
147.11708	8.9
149.13298	9.8
159.11726	7.0
311.76752	5.2
322.18301	5.9
329.21216	5.3
347.22174	24.1
355.41089	6.7
355.45422	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	13.2
55.56076	13.0
57.03416	36.4
57.94114	14.6
67.05485	55.5
76.77439	20.0
79.05468	61.8
81.07027	65.9
91.05471	59.9
93.07021	100.0
95.05011	21.2
95.08581	56.1
105.07025	52.7
105.88161	14.6
107.08566	48.3
109.46217	14.9
117.07001	19.5
119.08562	38.9
127.03901	28.6
129.06973	18.3
131.08606	22.8
133.10208	28.6
147.11617	26.9
159.11751	22.3
162.13783	15.6
171.11736	20.5
221.54440	16.1
275.16422	26.6
329.21109	22.9
347.21902	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2215
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
52.33399	4.7
53.03949	6.3
55.01865	7.3
55.05514	15.6
57.03418	6.1
57.06180	4.2
57.07072	12.2
64.90293	4.8
67.05502	66.1
69.07066	47.8
70.06599	21.1
71.05000	5.7
71.08658	7.3
74.87550	4.3
79.05482	30.3
81.07050	62.2
83.05007	12.3
88.07649	21.0
91.05448	34.6
91.06016	5.1
93.07037	36.0
95.04993	22.5
95.08606	45.6
97.06548	9.8
102.09190	14.8
102.43187	4.7
105.07027	46.1
107.04982	7.0
107.08597	30.8
109.06509	32.7
109.10197	19.4
111.08120	5.1
115.03951	9.6
117.07013	6.3
119.08643	18.3
120.89272	5.0
121.06554	7.9
121.10152	13.0
123.08116	14.7
123.11707	11.6
127.03934	27.7
131.08643	16.2
133.10176	21.6
135.08101	5.8
137.05972	8.6
145.10158	11.8
147.08006	7.6
147.11752	11.8
151.11217	7.4
159.11812	6.5
163.11212	6.3
169.62552	5.6
173.13324	6.8
195.11945	5.4
215.45242	5.2
222.04875	6.9
222.50595	5.8
225.35666	5.5
252.08031	6.7
265.94409	5.9
284.29614	18.4
285.29697	12.2
291.15948	8.3
319.22687	8.1
329.21274	19.0
346.33145	55.7
347.22083	100.0
347.33334	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	347.2216
Annotation	Syringenin-4-O-geranyl ether
Peak:m/z	Relative Intensity
51.32190	3.2
53.00293	4.7
55.01862	12.2
55.05498	18.0
57.03428	4.2
57.07065	7.8
67.05492	75.5
69.03408	5.4
69.07061	43.6
69.46760	3.6
71.04978	7.1
71.08615	4.3
79.05482	39.2
81.07049	78.2
83.04968	19.0
83.08574	7.8
91.05467	44.3
93.07033	52.9
95.04960	35.5
95.08595	53.4
97.06531	9.4
105.07032	61.6
107.04967	8.7
107.08590	30.0
108.38682	4.6
109.02856	6.7
109.06511	28.4
109.10149	20.3
115.03949	14.0
117.07024	12.2
119.08605	25.3
121.06528	14.1
121.10146	14.4
123.04431	5.2
123.08069	21.6
123.11709	8.7
127.03903	18.3
129.06953	5.4
131.08549	17.0
133.06476	4.6
133.10129	26.1
135.08078	9.5
137.06000	12.5
137.09660	9.6
143.08563	11.1
145.10121	15.1
147.11678	19.8
149.09650	8.0
151.11168	18.5
153.05785	5.7
159.11707	7.2
161.09560	9.3
161.13199	5.0
163.11195	10.7
171.11684	6.6
175.11115	5.3
273.14771	6.3
291.15915	9.4
319.22681	15.6
329.21088	29.6
346.32782	6.6
347.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06747	6.9
52.51039	8.0
52.66729	8.2
53.03932	15.5
55.01863	26.8
55.05482	11.7
57.07064	14.3
67.05495	76.1
69.07062	100.0
70.06580	13.1
71.08630	9.4
75.65799	8.1
79.05473	23.3
81.03409	58.5
81.07045	84.5
88.07589	13.8
91.05492	40.2
93.07044	42.7
95.04961	40.8
95.08575	46.5
96.56715	8.8
97.06527	58.0
103.05452	9.6
105.07020	36.3
107.04957	18.0
107.08606	31.0
109.06519	19.6
109.10150	19.2
109.79405	9.2
115.03948	24.7
117.07014	19.4
119.08609	29.6
121.06472	11.9
121.10168	16.9
127.03902	31.7
131.08563	27.4
133.10165	27.1
135.08046	14.7
135.11691	19.0
137.06015	14.4
145.10135	19.2
149.09662	9.4
185.13203	11.7
346.33066	11.7
347.22134	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.1
55.05499	15.4
57.07063	9.2
67.05500	48.5
69.03390	6.5
69.07044	23.5
70.06583	8.6
78.73640	5.7
79.05476	33.0
80.71908	5.5
81.03409	5.8
81.07048	100.0
83.08621	8.8
91.05473	38.6
91.71029	6.2
93.07019	34.6
95.04962	28.5
95.08612	40.8
97.06512	7.0
103.05506	6.1
105.07040	35.0
107.08578	37.1
109.06521	18.3
109.10142	21.0
117.07042	11.1
119.08556	21.4
121.10146	20.3
123.08081	16.6
123.11660	8.5
127.03909	21.4
129.07028	7.0
130.45494	6.3
131.08559	13.2
132.10208	8.7
133.10138	24.7
135.08084	6.9
135.11702	8.0
137.05943	33.5
137.09622	11.3
145.10167	14.7
147.11736	12.1
157.10156	8.6
159.11722	16.2
194.91512	7.4
202.58449	7.0
313.83374	7.3
329.21057	13.8
333.05859	6.9
346.32986	15.1
347.22095	38.8
347.25873	7.7
347.33606	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	347.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07884	4.8
50.50491	3.9
53.31695	4.4
62.77988	4.8
68.84560	4.4
69.61312	6.2
71.59719	5.0
78.94141	5.6
88.38242	6.5
107.41840	5.1
113.89005	5.5
115.99136	4.8
126.48786	5.5
134.72864	6.1
182.87141	5.6
273.01721	6.3
347.21664	6.4
347.25549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	67.0
57.07056	44.3
63.84702	34.7
69.07057	92.5
81.07050	49.8
81.88541	37.6
83.08582	100.0
93.07065	83.2
107.08589	91.3
119.41634	40.6
121.10098	39.0
125.45338	41.6
128.98407	48.0
135.46703	39.4
149.13307	57.7
209.02043	49.8
260.47491	48.1
269.90396	42.1
279.97943	49.5
329.24838	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	347.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06837	10.2
57.07068	100.0
59.04982	29.5
60.91262	7.9
65.63927	8.0
71.08626	67.5
85.10169	43.9
86.28283	8.8
128.79910	9.6
129.59386	10.9
212.58839	9.8
224.43939	10.5
269.94977	8.8
274.97025	8.7
317.49255	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	348.0702
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
56.31192	0.5
57.03398	0.9
58.71347	0.4
61.51418	0.5
69.03400	1.7
69.79418	0.5
70.06588	1.1
72.08163	0.8
85.02894	7.2
86.09683	2.4
90.77078	0.6
94.04059	0.5
97.02879	2.4
98.98450	2.2
109.23019	0.5
119.03509	0.8
123.04436	2.0
136.06181	100.0
137.04565	1.5
151.00847	0.6
164.99461	2.6
169.05013	0.9
213.01588	0.6
250.09308	0.6
283.34052	0.6
348.06903	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14928	2.6
75.60617	2.9
91.05476	15.3
91.79709	2.9
93.07046	18.0
103.05476	13.5
106.06580	6.0
107.04957	33.6
111.87815	3.1
118.06557	13.2
121.06498	100.0
123.04469	5.7
130.06538	8.6
132.08115	5.9
133.08891	4.3
137.05981	8.6
144.08090	44.9
238.12239	4.4
240.10220	4.8
254.11771	13.7
348.15894	83.4
349.16696	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	348.1592
Annotation	Ficuseptine C
Peak:m/z	Relative Intensity
54.31213	3.5
56.90357	3.3
57.03419	4.1
62.28785	3.2
66.02666	3.2
68.01836	3.2
78.23584	3.8
78.51957	3.6
91.05463	22.8
93.07027	16.3
95.04955	5.4
103.05453	11.7
106.06544	4.4
107.04963	28.8
117.07043	9.7
118.06551	20.9
121.06499	97.6
121.82127	3.6
123.04427	6.2
130.06558	11.4
131.07333	5.1
132.08096	7.5
137.06018	6.9
144.08075	42.5
203.36284	3.9
238.12163	6.8
248.08461	4.1
254.11728	23.5
322.30225	4.4
348.15887	100.0
361.38907	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	348.1591
Annotation	GW 9508
Peak:m/z	Relative Intensity
56.56570	1.4
58.85253	1.3
59.22179	1.6
67.49539	1.6
69.11352	1.4
75.41614	1.6
78.90349	1.5
79.05464	1.9
81.46984	1.6
84.41685	1.4
87.38833	1.6
91.05471	23.7
91.71091	1.7
93.07034	19.5
95.04946	7.1
103.05450	12.5
106.06545	4.4
107.04937	27.4
107.07343	2.4
117.05743	3.6
117.07015	6.3
118.06553	15.3
118.56448	1.6
119.04912	3.5
119.07312	3.0
120.08102	2.1
121.06496	100.0
123.04450	6.2
130.06535	7.2
132.08105	8.7
132.19441	1.7
135.47882	1.9
137.05977	8.5
143.07246	1.8
144.08083	41.6
175.21664	1.8
185.30853	1.7
238.12317	6.3
240.10300	4.7
241.10982	3.3
254.11761	15.1
307.12155	2.1
348.15894	93.4
349.16241	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	348.1595
Annotation	Ficuseptine C
Peak:m/z	Relative Intensity
59.68865	4.1
68.01886	4.2
72.52752	4.3
91.05479	12.5
93.07033	17.2
95.04929	7.7
103.05464	9.7
105.85062	5.2
107.04922	23.8
117.07058	6.2
118.06554	11.1
121.06499	100.0
121.07323	9.3
122.81293	4.9
124.07350	4.5
132.08067	7.7
137.06000	6.5
143.07307	5.7
144.08072	35.8
153.55119	5.5
156.08171	5.7
199.87335	5.6
254.11835	10.8
348.15915	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	4.5
60.55664	4.1
62.05537	3.5
64.58950	4.1
67.05483	3.7
77.80664	4.2
81.07050	5.1
82.79641	3.8
83.08604	5.3
91.05456	8.5
95.08614	5.6
100.12694	4.8
103.05465	17.1
105.07066	6.4
114.93819	4.6
117.07046	17.6
123.04440	11.5
125.41351	4.5
126.48907	4.7
131.04918	38.2
131.08566	12.0
137.06010	11.0
145.06499	25.9
149.05972	100.0
151.07576	36.0
159.08080	15.1
163.07590	38.8
177.09100	10.1
202.39482	4.6
270.13525	4.7
290.26605	6.2
292.84698	5.0
301.83234	5.1
331.26419	7.2
348.28967	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00366	4.5
51.79336	5.1
57.07066	40.5
70.18166	5.9
71.08603	15.8
71.15565	5.5
72.95697	5.7
74.49327	6.2
81.07054	7.0
88.11263	91.5
102.22752	6.7
102.94706	5.9
107.04955	74.9
114.14669	7.0
147.70706	7.3
151.16443	6.1
163.11252	8.4
190.47119	7.5
196.94675	7.1
236.16464	100.0
292.22684	96.6
293.23120	8.8
348.28949	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	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90555	9.5
69.34142	9.7
70.02561	12.3
70.06583	32.0
75.56368	10.2
92.78528	9.8
101.60001	10.8
105.71956	10.8
119.18252	10.3
127.03984	13.6
131.16693	13.8
133.01408	10.8
147.07950	14.5
301.63327	14.8
304.77313	13.5
331.09235	45.3
342.57959	15.3
349.08987	100.0
362.34494	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	349.1394
Annotation	Achillamide
Peak:m/z	Relative Intensity
56.89902	2.4
56.96564	4.7
59.81966	2.6
68.05024	3.5
70.06602	12.2
72.08164	3.5
77.76200	2.5
79.90816	2.8
84.04524	3.5
84.08144	5.8
86.09730	5.2
96.04506	3.9
111.60946	2.8
119.08619	3.1
120.08147	3.7
129.10266	5.0
147.06870	3.9
148.07552	20.3
160.02759	4.7
160.07626	5.7
165.03380	4.5
170.09682	4.6
173.07118	4.6
197.10812	4.8
198.09174	22.6
199.08757	6.2
214.47429	3.3
215.11786	33.0
225.10335	3.5
226.08714	8.7
227.08208	8.6
243.11241	52.5
271.10883	8.8
289.08737	6.4
289.11877	5.7
294.12054	3.8
304.97583	3.8
307.09979	5.1
313.11914	8.1
330.11392	10.6
331.12772	31.0
349.13913	100.0
371.31958	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	349.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00983	0.8
54.72578	0.7
60.12260	0.8
60.83702	0.8
62.47295	0.8
70.06588	1.9
91.05473	18.2
100.07611	8.4
114.09149	2.5
119.04929	8.3
130.25003	1.2
136.21051	0.9
137.05977	100.0
138.06322	1.0
142.35544	0.9
144.77870	1.0
154.08635	31.6
154.09863	2.0
159.30562	0.9
196.06375	43.2
258.86417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97951	37.5
53.89135	30.0
56.96543	80.5
58.22960	31.3
61.69152	42.5
61.69492	37.0
62.91519	34.1
67.47433	37.2
70.14819	38.0
71.04892	40.6
81.07096	50.7
82.07010	43.1
83.04456	45.9
91.05458	100.0
100.28974	43.0
119.08601	86.2
131.67543	46.0
138.81024	43.7
372.18585	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03193	15.5
60.41245	13.9
62.98798	16.4
76.50509	16.1
80.48943	14.6
88.23955	18.4
91.05499	18.3
91.70869	17.3
98.66763	17.9
108.14309	18.7
110.11256	21.5
112.27997	15.7
132.40778	17.0
150.69775	21.4
158.01375	19.8
162.00507	18.4
176.20862	16.7
193.50290	17.8
294.18246	20.2
311.77399	20.8
349.19931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2007
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
51.09055	2.9
55.05502	5.3
55.79763	3.2
63.49477	3.4
67.05488	9.1
71.50361	4.3
75.71413	3.2
79.05496	6.3
81.07043	28.7
91.05487	17.2
93.07025	25.5
95.08592	15.8
97.10142	6.8
105.03367	4.5
105.07031	17.7
107.08559	7.6
109.06546	6.3
109.10172	6.8
117.07036	6.6
119.04968	4.0
119.08563	13.8
121.10099	4.3
129.07010	8.1
131.08582	10.1
133.10146	4.9
137.09619	5.9
137.29718	4.2
143.08502	11.9
145.10080	7.4
147.08066	13.0
147.11703	6.2
149.09683	6.2
155.08580	5.1
157.10056	8.3
159.11681	16.2
161.09601	7.9
163.11188	4.4
169.10172	11.5
172.59769	4.5
175.11185	11.5
179.08539	5.0
182.11047	4.5
183.11691	23.2
187.11223	11.9
197.09602	6.4
197.13269	19.5
205.12236	10.4
209.13354	5.0
211.11226	11.9
225.12752	15.4
225.16376	8.3
226.13539	4.9
239.14201	6.6
239.17902	33.9
243.17374	10.6
249.16380	8.3
254.99701	4.8
257.19028	17.6
267.17395	98.2
285.18475	100.0
303.19510	74.3
331.19006	48.0
335.79620	4.8
349.20001	14.6
351.69699	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10777	6.1
86.95756	7.8
95.48290	8.7
112.66804	8.5
137.23621	8.1
141.96371	8.8
167.28246	8.2
179.14258	14.3
269.05414	9.5
271.56955	9.7
320.80405	8.4
349.21045	100.0
349.27744	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.2
57.21173	5.8
67.05488	7.9
69.67234	7.6
72.11159	6.7
80.38419	6.9
91.71101	8.4
95.08579	9.2
101.74976	8.4
104.92661	8.8
119.08678	7.3
123.08019	9.4
129.15680	8.5
130.67278	8.9
144.61374	9.0
147.08086	14.1
175.55219	8.3
320.19385	10.8
349.23563	100.0
349.27393	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13164	10.4
55.01858	12.8
55.05501	18.2
57.03429	100.0
62.70369	11.6
64.88240	9.2
67.05499	69.0
69.07050	27.5
73.57872	10.3
79.05476	59.0
81.07047	65.2
82.70306	13.5
83.08589	15.3
85.06521	21.7
91.05466	87.9
93.07048	75.6
95.04981	17.1
95.08608	57.1
105.07022	96.5
107.08587	44.5
109.06518	20.8
117.07000	49.8
119.08559	89.0
121.10126	25.7
121.63535	15.8
122.06033	14.0
123.08021	17.1
129.07002	26.0
131.08553	48.3
133.10127	51.9
135.11592	14.8
135.96196	14.5
143.08562	30.6
145.10161	48.5
147.11661	31.7
147.55733	11.9
159.11681	81.5
161.13239	14.7
164.55811	13.2
175.14833	18.3
185.13240	39.1
186.58786	13.8
203.14256	26.5
219.17409	17.3
239.17931	22.2
257.19009	35.9
275.20190	68.5
349.19748	31.6
349.23755	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.3
55.05507	24.3
57.03440	24.8
57.07071	6.7
60.80634	3.3
64.60668	3.4
66.85664	3.7
67.05496	58.4
69.03423	4.0
69.07070	34.4
69.60220	3.7
79.05470	27.3
80.28150	4.5
81.07051	53.8
83.04965	14.0
83.08594	7.7
85.06515	5.0
87.92982	4.3
91.05473	43.4
93.07034	57.5
94.83369	4.5
95.04966	20.9
95.08595	35.8
105.07014	42.9
107.04954	19.1
107.08600	28.4
109.06524	25.7
109.10172	20.7
111.08110	4.1
117.07012	16.8
119.08569	26.1
121.06503	21.5
121.10126	20.3
123.08089	10.4
129.07042	7.1
131.08578	30.3
133.10132	28.9
135.08060	7.2
135.11696	8.9
145.10126	20.6
147.07985	7.5
147.11690	18.8
149.09668	10.8
149.13239	9.0
151.11169	9.0
157.10077	6.1
159.11714	16.9
163.11101	9.3
173.09836	5.6
173.13315	10.4
181.69464	4.7
185.63980	4.6
187.11118	6.5
221.93954	4.9
229.19446	5.2
239.18050	6.9
257.19009	19.5
275.20035	100.0
275.22879	9.2
293.21097	9.0
349.23682	41.1
349.27295	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	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.00368	2.8
53.03912	3.2
55.05501	8.0
56.64535	3.0
57.03419	7.2
57.07061	3.4
67.05495	44.0
68.86789	3.3
69.07052	12.0
74.07504	3.3
79.05484	70.5
81.07050	46.1
83.04967	3.4
91.05473	45.0
91.71136	6.8
93.07033	100.0
95.04963	16.9
95.08601	32.4
97.02881	3.7
97.10127	3.3
105.07021	26.1
107.08575	52.7
109.10164	10.6
115.03924	11.0
117.06991	9.1
119.08564	23.0
121.10146	36.5
123.11705	4.1
127.03940	4.4
129.07100	5.5
131.08556	8.6
133.10141	13.6
135.11694	41.5
143.08560	6.5
145.10136	15.7
147.11703	12.3
149.13287	20.0
150.96721	4.1
159.11719	4.7
161.13306	8.0
163.14819	5.0
165.74117	4.1
171.11734	5.9
173.13254	5.8
175.14851	5.8
207.97646	3.8
211.15126	4.3
239.17804	6.0
267.21039	4.4
303.37857	4.6
313.21512	8.4
325.20224	5.3
331.22644	16.6
349.23666	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.00287	8.8
55.01870	74.0
55.05507	91.2
57.03422	11.7
67.05502	62.3
69.07069	81.3
74.62228	6.0
79.05487	38.2
81.07047	92.6
83.04966	17.6
83.08610	100.0
91.05477	49.2
93.07043	51.6
94.99342	7.6
95.04964	15.9
95.08607	40.3
97.06520	67.6
97.93407	6.9
105.07012	21.0
107.08598	29.8
109.02875	7.5
109.06509	10.2
109.10185	22.5
111.08080	22.7
115.03938	21.5
117.06969	13.1
119.08582	21.2
120.63099	6.4
121.10136	28.0
123.08061	16.7
123.11756	9.8
125.09627	11.2
127.03893	43.9
131.08575	17.5
131.37030	7.8
133.10150	19.1
135.11705	25.7
139.11205	14.3
145.10133	9.5
147.07983	10.8
147.11714	13.6
149.13295	12.0
159.11644	11.6
161.13240	14.7
166.35255	7.6
173.13339	16.1
175.11201	8.0
179.14275	10.2
187.11194	7.9
189.12663	8.3
196.23203	10.0
242.95415	8.2
331.22583	23.6
349.23718	60.4
349.27383	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	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
55.01862	11.0
55.05490	25.5
57.07079	11.5
63.02896	11.2
67.05495	74.9
69.07078	45.5
71.08625	90.0
79.05502	28.8
81.07049	57.1
83.06491	10.6
83.08617	12.1
91.05503	24.0
93.07050	33.6
95.04980	19.5
95.08627	42.4
99.08086	100.0
100.23561	10.6
105.07059	21.5
107.08630	14.4
109.10183	29.4
125.95127	12.0
127.03972	24.9
135.11740	25.0
182.51579	12.5
203.17300	12.4
224.68790	13.1
244.02321	13.5
349.23636	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10186	6.3
55.01654	8.8
55.01867	100.0
55.05490	28.5
57.07061	8.7
67.05492	42.4
69.07060	99.4
79.05472	27.3
81.03366	10.8
81.07037	51.3
83.04964	11.7
83.08604	35.4
91.05470	38.5
93.07031	33.9
95.04942	14.7
95.08604	37.0
97.06528	84.5
105.06989	14.7
107.08597	31.3
109.02882	8.9
109.10191	14.6
115.03975	16.3
117.07005	10.5
119.08565	13.4
121.10145	17.1
123.11728	10.1
125.09607	13.1
127.03912	39.2
131.08568	17.1
133.10204	11.5
135.11711	23.6
145.10156	14.0
145.27495	11.2
147.11687	15.9
159.11679	10.7
205.53897	9.9
216.49083	8.5
231.21243	9.0
268.00482	8.3
309.71643	9.6
349.19846	11.1
349.23380	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.28262	4.0
55.05502	9.7
57.03408	4.8
57.07064	4.9
57.20016	4.4
59.11402	3.8
63.19242	4.2
64.36094	4.5
67.05499	38.3
67.36469	3.8
69.03412	4.5
69.07037	12.2
79.05486	61.8
81.07044	43.1
81.63049	5.0
91.05476	32.2
93.07037	100.0
95.04965	9.4
95.08595	28.8
97.02855	4.9
103.47832	4.0
103.87427	5.2
105.07036	28.7
107.08576	46.3
109.06479	5.3
109.10154	16.6
115.03935	9.5
117.07026	8.4
119.08583	22.3
121.10152	27.8
123.08076	5.6
127.03918	5.3
131.08553	5.9
133.10152	15.5
135.11688	27.3
145.10139	14.1
147.08090	5.1
147.11679	9.1
149.13283	20.2
159.11620	8.9
161.13307	9.0
162.18401	5.4
164.59372	4.6
176.32051	5.4
178.37700	5.3
313.21857	10.2
331.22653	15.3
349.23727	43.0
371.01489	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	57.9
60.50196	32.9
67.05494	58.9
72.68171	32.5
79.05515	32.6
81.07038	100.0
86.17112	32.6
93.07056	59.7
94.69349	31.9
98.97610	35.8
107.08567	47.2
115.66451	33.6
119.50334	42.0
121.10147	46.7
133.10077	41.3
143.08759	40.4
159.75902	34.6
237.91109	38.8
349.23691	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.1
58.42001	2.5
59.28519	2.2
60.04504	6.7
60.89722	2.7
67.05479	5.2
68.08204	2.8
69.03416	3.0
69.07037	6.7
79.05491	3.6
81.07030	9.0
84.08159	2.9
91.05474	4.6
93.07029	5.2
95.08599	7.4
103.05461	11.2
105.07000	5.6
117.07002	5.9
123.04410	7.9
131.04919	28.9
131.08583	3.8
137.05989	17.1
145.06476	17.4
147.04385	27.7
149.05971	68.7
151.07512	4.7
157.06456	9.4
161.05959	5.5
163.07568	18.9
166.08615	10.0
173.06036	5.1
175.07507	6.3
177.09042	3.5
189.09155	4.1
194.41292	3.0
301.68237	3.4
315.19559	8.3
332.22049	7.2
337.69446	3.8
349.24814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	16.9
57.07079	11.9
67.05486	45.6
69.07066	18.2
70.22451	10.1
74.17423	12.0
78.47189	10.7
78.71862	12.8
79.05478	36.3
81.07052	50.2
91.05468	57.4
93.07050	58.1
93.86772	12.2
95.04992	21.9
95.08615	42.0
105.07030	100.0
107.08582	61.1
109.10146	52.0
117.07027	17.0
119.08556	65.4
121.10144	51.2
131.08592	30.9
133.10139	46.2
135.11624	13.3
142.07741	22.0
145.10147	34.9
147.08052	19.7
149.09602	15.0
155.08554	16.1
157.10135	40.9
161.09737	15.8
171.11598	15.5
195.20190	12.8
318.93036	15.5
349.25082	22.3
351.69031	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
63.41736	11.8
69.07063	21.1
70.32294	13.4
70.42712	13.7
70.56170	12.9
81.07014	19.4
87.24998	13.5
89.24761	12.9
95.08595	25.6
102.74150	12.2
109.06480	17.5
111.00896	12.7
119.08584	20.3
123.08074	55.9
126.05727	14.6
135.42830	17.6
167.15321	15.7
179.14339	65.5
190.00508	14.7
349.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.42490	3.4
57.07052	6.6
67.05486	7.3
71.04415	3.5
75.77551	3.2
79.05482	3.9
81.07035	10.0
91.05494	4.5
93.07043	6.5
95.08599	8.1
107.08601	9.3
109.06528	22.3
109.10123	5.9
123.08043	30.8
135.08047	5.8
179.14304	100.0
242.11488	3.9
349.27353	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.06961	1.7
54.63636	1.8
55.05487	5.8
57.07055	2.0
59.64980	2.0
60.47712	2.0
67.05486	8.5
69.07051	15.4
78.83050	1.9
79.05474	4.9
81.07056	12.2
83.08600	5.9
91.05482	5.4
93.07037	5.3
95.08569	11.1
105.06988	3.1
107.08570	7.2
109.06509	18.1
109.10153	5.9
111.08067	3.8
119.08555	5.5
121.10165	4.2
123.08061	96.7
133.10104	2.6
135.08054	6.8
137.09621	4.7
147.11664	2.8
155.56047	2.2
161.13249	2.7
174.22643	2.2
179.14311	8.7
235.39711	2.2
242.03227	2.4
277.41769	2.8
293.21088	14.3
299.88934	2.7
331.26340	3.7
347.95547	3.0
349.27344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.04520	1.3
55.05482	3.5
55.80006	1.3
57.07045	5.3
67.05490	3.5
67.69315	1.4
69.07032	3.1
69.64646	1.4
71.08598	4.9
79.05463	1.7
81.07056	8.0
85.06514	3.0
89.26122	1.4
93.07017	4.5
95.08577	5.0
100.62019	1.5
105.06967	2.0
107.08563	1.5
109.06501	19.9
109.10170	4.1
119.08541	2.6
121.43040	1.6
122.07308	1.9
123.08061	28.5
133.10152	1.7
135.08018	4.9
147.11601	3.3
162.86086	1.6
179.14290	100.0
191.83110	1.8
193.15814	3.5
209.01279	1.7
214.89536	1.6
223.40782	1.9
267.34103	1.9
331.26093	2.4
349.27289	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.54477	1.3
55.05490	7.0
55.05722	1.9
57.03446	1.6
57.07034	1.9
66.81500	1.6
67.05506	8.7
69.07061	19.4
77.01659	1.8
79.05489	4.8
81.07045	12.3
83.08594	7.5
91.05478	3.8
92.53557	1.6
93.07019	6.7
95.08605	10.4
105.07015	4.1
107.08589	7.0
109.06503	10.2
109.10142	6.2
111.08099	2.0
119.08566	4.5
121.10130	4.8
123.08069	100.0
133.10077	2.6
135.08032	6.4
137.09619	6.1
149.13188	3.0
168.32127	1.8
179.14305	4.5
184.83092	1.9
189.18233	2.3
206.57748	1.9
293.21033	15.7
299.08356	2.3
329.29947	1.9
331.26306	3.7
335.44708	2.1
348.41650	2.3
349.27356	99.5
350.27887	2.3
352.75793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.82357	4.3
53.26306	5.7
61.78375	6.3
68.07951	7.2
69.07055	6.5
70.45055	7.5
75.25575	6.6
81.07054	12.0
90.85105	6.7
93.07065	10.4
95.08602	14.1
106.18710	7.7
109.06517	21.9
111.89295	5.9
123.08070	63.5
135.08037	8.0
179.14297	100.0
179.15810	7.6
215.94283	8.0
230.75285	7.2
349.27429	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.53419	2.5
55.05495	9.4
56.96538	2.6
57.07066	9.0
59.71890	3.5
62.91186	2.7
64.54225	2.7
66.38144	3.3
67.05502	7.2
69.07062	7.9
71.08611	5.2
72.80202	2.8
76.04594	2.9
79.05513	3.2
81.07050	11.2
83.06044	3.1
91.05469	7.5
93.07023	7.6
95.08608	9.7
105.06996	4.5
107.08605	9.2
109.06509	22.4
109.10130	5.2
119.08566	7.6
121.10208	5.1
123.08064	57.0
135.08064	10.1
135.11777	4.9
145.10023	4.3
149.09711	4.6
179.14311	100.0
179.15846	6.1
257.33490	3.4
293.20990	6.9
299.23770	3.8
305.32422	4.2
331.26184	8.0
349.23383	19.4
349.27280	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	349.8481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37635	1.8
64.76857	2.1
78.60670	1.8
91.75592	1.9
94.93007	87.8
150.91969	3.0
200.50838	2.2
206.88580	18.7
248.89630	100.0
318.73590	2.3
364.64172	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97516	2.8
56.05024	3.7
57.03408	3.3
60.04518	100.0
66.44745	3.1
67.05492	11.5
69.04532	5.1
69.07057	3.6
70.06587	6.6
74.06050	4.3
81.04536	45.3
81.07043	14.3
82.05315	3.7
82.06567	4.6
83.06084	9.8
84.08141	6.4
86.09671	3.8
89.62457	3.2
91.05473	9.3
91.71290	9.9
95.06074	6.8
95.08620	10.5
106.91974	3.1
107.04958	5.7
109.03993	5.5
109.10133	3.6
118.07585	3.5
119.04955	5.1
125.37889	3.4
130.06439	4.8
173.14398	3.7
194.03745	3.3
224.08258	7.2
225.08981	18.4
236.10712	4.9
287.11581	4.7
304.14334	13.8
314.26852	4.9
332.13904	62.6
332.27841	18.4
350.15033	8.8
350.28940	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	350.1749
Annotation	Fenpropathrin
Peak:m/z	Relative Intensity
51.41090	0.3
65.03923	2.3
67.91119	0.4
78.08104	0.3
81.07032	1.1
91.05470	46.4
107.05002	0.6
109.06501	1.6
119.04929	19.0
120.08096	1.1
121.06474	2.2
132.08076	0.8
137.05969	100.0
138.06310	1.1
155.49120	0.4
160.07571	1.6
214.12202	1.8
226.12224	1.6
229.30396	0.6
273.32553	0.4
350.17435	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	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65942	1.7
53.20191	1.8
55.05492	1.9
57.03434	1.7
61.02908	5.6
65.01301	1.6
67.05496	5.5
69.03418	11.9
70.06580	13.1
70.10163	1.9
72.08138	3.3
73.02901	3.1
79.05470	6.1
81.03396	3.2
81.07044	24.5
84.08142	2.7
85.02428	3.7
85.02899	45.5
86.09698	4.6
89.12910	2.1
91.05461	3.9
93.07031	24.4
95.08597	35.4
97.02888	10.7
99.04459	5.0
99.08059	5.0
105.07002	4.2
107.08581	10.5
109.06511	3.5
109.10137	2.1
111.08074	28.3
123.08060	26.2
125.09641	2.3
127.03910	5.7
135.08054	21.4
141.09097	46.8
141.99702	2.4
145.04935	6.1
153.09096	100.0
171.10164	20.7
199.09624	2.1
249.12109	2.5
312.98871	2.7
350.16309	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	350.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	13.9
68.38823	13.6
69.07044	12.6
90.36056	12.0
95.04958	25.2
105.06971	14.4
107.26299	13.5
124.56532	13.0
138.23753	12.9
187.04861	12.2
208.07025	13.3
221.15416	44.0
249.63911	14.7
262.75287	18.3
266.21106	100.0
268.31296	13.7
324.49310	15.6
350.27274	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	350.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83287	1.8
50.83542	2.0
55.05507	3.5
56.05020	5.5
60.04517	100.0
67.05495	11.4
69.04540	2.9
69.07055	5.2
70.06557	6.2
72.08159	2.4
79.05476	4.9
81.04539	11.2
81.07050	9.8
82.06547	4.6
83.06095	5.2
84.04501	2.9
84.08115	4.0
86.09704	2.5
91.05456	6.5
91.71629	2.8
93.07037	6.1
95.08586	7.0
96.08096	2.1
101.51271	2.1
107.04982	4.2
109.04002	3.2
109.10155	2.7
110.07188	2.5
122.06071	2.8
122.92281	2.6
132.42868	2.7
135.11665	2.2
142.64291	2.2
191.53192	2.3
225.09065	7.1
240.06845	2.8
278.24838	5.1
296.26035	3.4
304.14355	4.9
314.26776	7.8
332.13928	19.8
332.27966	18.4
333.14517	4.1
350.24603	4.2
350.28986	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	350.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30396	2.6
55.75149	2.7
57.07060	8.5
58.06596	3.9
60.52314	2.7
67.05525	2.6
68.05765	3.3
70.06582	40.6
72.08140	5.7
84.04508	3.8
84.08150	5.3
86.09711	9.0
86.83053	2.8
88.07570	3.3
90.94213	2.8
112.94357	3.8
114.09142	4.3
124.76704	3.5
127.05782	3.2
127.16948	3.7
131.31796	3.7
132.10233	11.0
139.58327	4.1
145.49167	3.5
146.11774	6.7
156.17432	6.5
164.07114	6.2
244.22704	38.0
288.25262	18.1
326.28546	3.7
337.18573	3.9
350.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31419	5.0
58.06590	10.9
60.57954	6.1
68.15955	6.4
72.08140	6.9
132.10182	43.3
258.24185	46.6
262.47269	8.0
279.50223	7.1
350.29037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	48.9
55.05495	22.3
57.07044	14.6
67.05499	88.4
68.55936	13.5
69.07054	89.2
69.07365	12.0
76.37846	11.8
79.05482	44.7
80.82714	12.3
81.07056	100.0
83.04961	21.6
83.08617	46.9
83.65417	15.2
91.05499	37.2
92.37352	12.7
93.07043	76.4
93.45673	12.9
95.08591	73.6
105.07028	50.5
107.08573	41.5
119.08539	31.4
121.10116	44.6
128.53093	13.7
130.83182	14.7
135.11671	18.3
147.11656	53.1
148.73146	17.4
153.12730	39.9
160.20071	13.3
161.13330	16.5
183.65776	14.2
184.13326	29.5
315.26794	36.7
318.11874	16.2
333.27847	90.7
350.30585	31.2
351.30966	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	350.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	19.8
55.05496	47.6
56.89890	13.4
57.07071	22.4
66.16174	14.3
67.05500	100.0
69.07047	56.2
79.05476	44.6
81.07056	91.9
83.08590	25.8
91.05457	29.7
93.07031	65.4
93.36874	19.0
95.08602	94.3
107.08604	35.1
109.10130	41.5
116.05256	19.0
119.08592	19.1
121.10159	34.9
133.10138	27.1
135.11618	26.6
262.85220	17.3
315.26920	19.5
323.76242	18.1
333.27719	93.7
350.30447	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.1
57.87038	3.0
60.07860	5.4
60.08154	100.0
66.18767	3.5
67.05483	11.2
67.39616	3.2
67.51685	3.6
69.07050	7.4
71.08624	11.8
76.91703	3.5
79.05489	5.8
81.07054	8.6
89.06023	5.1
93.07023	5.4
95.08545	5.0
97.06529	5.8
99.08027	4.7
105.07065	5.1
107.08578	4.9
107.34556	3.6
109.06541	8.0
119.08619	4.5
124.06686	4.2
135.90268	4.5
151.09688	6.3
232.22571	4.3
252.23260	11.7
254.87756	4.8
270.97980	4.9
291.22992	9.4
350.30554	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25301	2.9
55.05496	23.3
57.07084	4.8
67.05489	10.0
69.07053	37.2
71.08625	45.0
80.81656	3.2
81.07047	15.6
83.08604	12.2
84.62986	3.7
86.09684	5.1
88.11260	100.0
89.06002	3.6
95.08582	9.9
97.10151	6.6
101.47684	3.6
109.10121	5.5
156.13841	5.8
160.03787	4.4
170.15373	5.3
245.22725	4.9
261.86551	5.6
268.26193	7.1
350.34143	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	350.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23556	4.8
55.05493	25.5
57.07050	8.9
67.05502	8.8
68.68463	5.5
69.07065	34.9
71.08626	38.1
81.07054	12.4
81.76974	5.5
83.08604	10.2
88.11259	100.0
90.86733	5.1
93.07040	6.0
95.08611	11.8
97.10114	6.7
109.10133	9.2
124.36547	6.6
151.09673	10.8
170.15445	8.9
212.19911	8.3
216.33774	6.5
233.88765	6.9
320.16693	6.2
350.34158	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45405	5.7
56.05011	7.8
56.66438	5.0
70.06580	70.9
70.78023	5.8
72.08146	18.8
76.88850	7.1
79.02608	5.6
84.04490	20.6
84.08133	57.0
86.09693	29.1
90.39819	7.1
91.05457	14.6
91.71584	12.2
109.02847	8.2
120.08089	56.4
121.06516	42.8
129.10197	18.6
130.08617	16.1
137.05974	30.0
147.11290	19.6
166.04987	29.6
207.50159	7.3
212.85104	7.2
218.59969	7.9
317.67126	7.8
351.10452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58534	3.2
54.22606	3.7
56.96545	3.7
60.70256	3.4
63.47438	3.9
64.83949	3.8
66.51653	3.6
70.06573	17.0
72.08144	5.8
83.04976	10.5
84.08119	5.9
85.02895	33.3
86.09695	8.8
91.05476	7.0
99.04436	43.4
120.08126	5.6
127.03902	66.6
133.07584	5.4
149.81427	4.8
156.37810	4.7
161.07091	100.0
182.84741	4.3
189.06578	99.6
203.68578	4.9
207.07680	15.4
268.69168	4.9
279.96854	4.6
287.05408	10.0
299.05136	4.8
314.03922	5.5
333.10934	12.1
351.11551	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	351.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
63.83265	1.3
67.05508	3.5
70.06599	3.5
71.04993	5.0
74.58147	1.3
76.71961	1.5
80.41365	1.4
84.04539	2.4
84.08193	1.9
85.02911	3.4
85.61271	1.5
86.09711	1.8
89.48241	1.3
94.06568	3.2
107.04929	1.9
110.07169	2.0
117.86954	1.6
135.98959	1.6
138.05563	4.2
144.08096	11.1
148.07697	2.7
148.79285	2.1
150.05515	4.8
158.09753	6.4
162.05476	3.3
166.05058	5.5
171.06851	2.3
171.81676	2.2
172.06276	2.2
172.07660	7.4
176.03490	6.9
176.07135	1.7
184.06076	4.3
186.09106	8.3
194.08195	3.3
200.07039	19.9
201.07933	2.2
214.08661	10.4
216.10341	2.3
228.06534	15.4
237.03192	1.8
242.08012	9.3
244.09653	3.5
256.06018	100.0
262.98840	1.9
270.07458	9.4
272.09085	2.8
297.08878	3.1
298.07062	79.7
299.07623	1.9
315.09827	5.3
316.08096	38.1
333.10910	2.7
334.09207	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	21.8
60.49905	2.4
62.49172	2.6
69.03418	41.8
70.06582	15.8
72.08142	3.3
81.07056	4.4
84.04502	6.2
84.08134	5.4
85.02869	4.8
86.09686	11.2
93.07022	4.5
97.02879	13.2
103.41513	2.9
110.06028	6.0
110.07205	3.7
111.04430	51.2
113.39318	3.6
115.03936	16.5
120.08120	2.7
129.04662	3.0
129.05473	18.0
139.03925	17.9
148.03967	3.1
149.07072	5.9
153.09129	9.4
159.89767	3.3
171.52454	3.4
177.06645	9.0
183.92152	3.3
196.96773	3.3
230.27740	4.0
246.09966	6.9
258.07547	6.0
259.10831	10.6
274.09460	19.5
275.10236	7.9
286.09607	7.3
287.10211	13.5
302.08917	32.3
303.09717	21.3
305.11337	6.1
315.09695	13.6
333.10764	100.0
348.44080	3.7
351.11807	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	2.6
63.83957	1.8
70.06577	10.1
71.04982	2.6
79.05495	3.5
81.07017	2.3
84.04496	3.7
84.08137	5.9
85.02898	5.2
86.09699	5.7
91.05465	2.4
92.82610	2.5
93.07053	4.9
103.05513	2.4
106.06561	13.7
110.06052	2.6
120.08097	6.2
122.06030	4.6
132.08081	10.7
134.06026	25.5
148.07564	77.0
152.07005	3.3
153.09111	4.2
166.08621	53.6
176.07056	11.0
189.10280	2.5
194.08110	100.0
222.80205	2.2
227.11855	7.0
269.12967	2.9
287.13861	18.3
315.09937	5.0
315.13370	10.5
333.10724	8.8
351.15109	4.4
353.43109	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	351.1696
Annotation	strychnine N-oxide
Peak:m/z	Relative Intensity
67.75736	3.2
70.10803	2.9
81.25531	2.9
82.10799	3.2
119.57012	3.2
137.24796	3.3
159.02068	3.2
173.72417	3.1
222.18169	3.1
351.12708	3.5
351.16919	100.0
352.16672	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
57.58832	3.0
62.16400	3.0
64.67488	3.6
66.78585	3.7
67.05492	7.3
69.07074	4.5
81.07044	8.4
87.16000	3.4
91.05477	22.9
93.53380	3.6
97.06561	8.2
111.10120	3.6
127.07527	4.4
137.09599	5.4
143.93782	4.9
147.08052	100.0
147.09137	5.5
151.51848	3.9
153.08244	3.4
169.08575	9.0
324.03802	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
55.05499	8.2
56.31308	4.1
58.90863	3.7
67.05173	8.0
67.05498	99.5
69.07046	12.3
69.15395	3.8
71.08649	4.5
79.05482	16.0
81.07050	100.0
83.08624	8.2
91.05479	13.9
91.71073	7.7
93.07049	31.8
95.04958	6.6
95.08605	69.2
97.95767	4.9
98.08038	4.0
105.07034	8.2
107.08594	18.7
109.10152	37.4
117.07018	7.8
119.08572	12.1
121.10176	10.9
121.28460	4.5
123.11729	12.9
129.06952	5.7
131.08562	5.4
133.10117	7.1
135.11671	6.9
137.13260	9.4
138.87447	4.5
145.10165	7.7
149.13272	13.2
171.11743	4.9
269.22699	5.4
283.88281	5.4
311.39926	5.4
315.23196	11.1
333.24234	13.7
344.73926	4.9
351.25125	22.4
352.06000	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.85777	1.1
55.05492	5.2
57.03429	3.4
57.07066	1.8
58.84896	1.4
59.17369	1.7
61.80806	1.1
65.03929	2.9
67.05499	94.0
69.07073	8.4
69.75835	1.3
71.04988	2.1
79.05480	15.0
81.07050	100.0
83.04960	2.5
83.08614	4.3
85.71557	1.3
91.05481	8.2
93.07052	20.3
95.04973	3.1
95.08601	65.0
97.06522	2.1
105.07034	9.7
105.65789	1.6
107.08584	12.7
109.06507	4.6
109.09409	1.8
109.10147	37.0
111.11771	1.8
115.03943	5.2
117.07046	3.3
119.08591	6.9
121.10167	10.6
123.08042	2.9
123.11710	25.1
127.03903	5.4
131.08588	5.6
133.10150	6.0
135.08115	2.8
135.11693	9.2
137.09676	2.1
137.13289	6.6
139.07529	1.8
145.10114	4.1
147.07932	1.6
147.11685	6.8
149.09851	1.7
149.13255	6.4
151.14809	2.0
153.09053	2.1
157.10146	2.5
159.11694	3.2
159.66858	1.8
161.09534	1.8
161.13231	3.1
163.14867	4.9
167.10730	1.7
173.13226	3.1
175.14755	2.5
177.16452	2.2
185.13261	2.3
199.14809	3.7
213.16324	1.9
226.75606	1.6
241.19559	2.8
262.02814	1.9
269.22693	2.6
277.18106	2.2
287.23929	2.0
289.25320	2.6
297.22125	4.1
315.23129	10.0
333.24246	19.1
341.86826	1.7
351.25266	26.1
351.29486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.9
55.05499	11.6
55.63481	3.1
57.03419	7.8
57.62912	3.4
58.84804	2.9
61.56723	3.4
65.03922	3.6
66.91885	3.2
67.05492	48.3
69.07053	24.3
70.80220	3.3
71.04974	5.3
76.02256	3.3
77.79108	4.2
79.05482	51.9
81.07048	65.6
83.08601	12.5
85.06522	3.7
91.05471	55.7
93.07035	100.0
95.04966	8.8
95.08599	47.5
97.06540	10.7
97.10151	4.6
99.08131	4.0
100.89171	3.5
101.76665	3.6
105.07027	64.0
107.08583	56.7
109.10139	18.7
117.06996	10.4
119.08562	46.8
121.10132	42.0
123.63176	3.8
129.07004	9.5
131.08566	22.8
133.10123	45.2
135.11699	33.0
143.08559	11.2
145.10089	19.5
147.11673	32.9
149.09584	4.0
149.13275	18.6
157.10153	6.6
159.11682	17.6
161.13271	21.8
163.14902	6.5
171.11714	12.1
173.13274	9.3
175.14825	12.2
185.13335	9.4
225.43404	4.3
231.21158	7.4
239.36478	4.2
241.19516	14.2
259.20547	62.4
277.21722	9.7
315.74637	4.8
333.24121	11.3
351.25250	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11503	7.5
52.97727	8.0
55.05523	27.6
67.05499	63.5
69.07055	23.6
79.05486	75.0
81.07051	63.6
91.05462	84.4
93.07037	100.0
95.04964	9.9
95.08630	43.8
105.07029	75.7
107.08570	56.1
109.10185	17.9
116.23869	9.8
117.07058	13.6
117.40585	8.2
119.08563	58.1
121.10141	49.4
131.08624	28.0
133.10153	46.7
135.11758	37.8
143.08617	10.8
145.10181	26.2
147.11775	44.6
149.13371	29.6
159.11693	18.1
161.13315	32.7
171.11798	14.4
175.14923	12.4
185.13333	12.1
196.26451	9.7
231.21165	11.7
241.19543	24.2
259.20605	75.1
277.21732	14.8
293.08521	10.1
351.25287	49.1
352.51624	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33763	5.7
55.05506	27.3
57.03427	7.4
58.02104	5.7
65.03926	9.6
67.05494	65.0
68.77731	6.5
69.07060	22.8
69.80378	6.3
79.05496	62.0
80.05487	6.3
81.07044	57.4
83.08610	16.9
91.05482	80.5
91.71677	7.1
93.07040	100.0
95.04926	14.2
95.08599	45.8
96.21954	7.5
105.07018	95.0
107.08588	50.5
109.10171	24.2
117.07047	14.8
119.08565	67.8
121.10122	40.5
129.06961	12.1
131.08591	29.9
131.61749	7.8
133.10121	57.3
135.11685	41.7
143.08592	11.0
145.10152	32.2
147.11629	47.2
149.13295	18.8
157.10159	11.3
159.11760	18.8
161.13303	28.7
171.11691	17.8
173.13284	12.2
175.14815	21.3
185.13292	15.8
226.01152	8.4
234.04700	7.6
241.19510	26.0
244.84341	7.2
259.20547	95.5
351.25293	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.9
57.03429	14.5
67.05501	90.7
67.97202	11.3
69.07076	35.6
70.34525	11.6
71.08642	55.2
79.05507	47.2
81.07049	100.0
83.04970	12.6
83.08624	28.2
91.05509	44.6
93.07029	73.3
95.04990	26.7
95.08625	52.8
99.08092	28.1
105.07048	30.8
107.08637	42.8
109.10181	14.8
113.41354	12.4
119.08607	30.7
120.04875	11.2
121.10178	32.1
133.10101	16.1
135.11751	46.2
147.11665	20.6
147.14801	15.3
161.13347	17.0
179.14256	62.0
182.24568	13.0
235.52080	13.4
277.21680	33.4
351.25375	44.3
361.52686	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.9
57.03429	14.5
67.05501	90.7
67.97202	11.3
69.07076	35.6
70.34525	11.6
71.08642	55.2
79.05507	47.2
81.07049	100.0
83.04970	12.6
83.08624	28.2
91.05509	44.6
93.07029	73.3
95.04990	26.7
95.08625	52.8
99.08092	28.1
105.07048	30.8
107.08637	42.8
109.10181	14.8
113.41354	12.4
119.08607	30.7
120.04875	11.2
121.10178	32.1
133.10101	16.1
135.11751	46.2
147.11665	20.6
147.14801	15.3
161.13347	17.0
179.14256	62.0
182.24568	13.0
235.52080	13.4
277.21680	33.4
351.25375	44.3
361.52686	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73658	9.6
52.03505	10.2
52.03794	8.7
54.54688	9.2
54.73016	10.6
55.05498	24.4
55.29300	10.4
57.03397	15.4
61.94098	8.7
67.05497	96.7
69.07051	18.4
72.94513	11.2
79.05491	56.7
81.03898	13.0
81.07046	74.8
83.08618	14.4
91.05464	61.8
93.07027	100.0
95.08588	54.8
104.16394	11.9
105.07018	58.7
107.08594	53.6
108.15603	11.3
109.10143	26.4
117.07051	17.9
119.08588	55.3
121.10149	57.3
125.23103	12.1
128.47482	14.1
129.06967	22.3
131.08611	22.2
133.10130	47.2
135.11690	44.6
145.10193	19.2
147.11681	44.1
149.13307	27.8
159.11700	24.5
161.13214	45.2
163.14830	22.5
171.11713	17.8
173.13261	17.3
175.14803	33.2
190.66779	12.8
206.53310	13.8
231.21098	16.0
241.19562	34.9
259.20511	70.8
272.66800	14.0
333.24207	15.7
351.25244	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.25216	4.2
54.09887	5.9
55.05493	21.9
57.03428	10.0
57.07059	8.6
61.60203	5.0
66.08426	6.4
67.05499	78.5
69.07050	23.4
71.04984	12.2
79.05489	46.7
81.07046	81.5
83.08581	10.8
85.06520	12.0
87.12686	5.5
91.05483	75.0
93.07040	67.7
95.04959	17.5
95.08597	69.3
97.21490	5.3
99.08077	8.3
101.28367	6.5
105.07026	78.0
107.08595	44.6
109.06520	7.7
109.10161	29.5
115.19030	6.8
117.07024	20.4
119.08582	65.5
121.10130	44.4
129.07014	14.8
130.07921	5.9
131.08569	25.3
133.10127	59.4
135.08054	7.4
135.11688	23.8
143.08513	12.6
145.10107	28.5
147.11662	39.7
149.13260	26.6
157.10095	9.5
159.11658	22.7
161.13232	68.8
163.11110	7.0
163.14748	11.7
165.09077	7.0
171.11705	19.7
173.13229	20.5
175.14790	37.6
185.13277	12.2
199.14821	10.6
213.16325	12.8
231.21019	13.0
237.54156	6.5
241.19525	50.4
259.20560	63.3
277.21625	7.5
319.22766	18.2
351.25220	100.0
362.37500	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13383	1.9
55.05515	8.3
57.03430	3.2
57.07085	3.2
65.03938	2.5
67.05499	92.7
69.07076	10.3
79.05492	17.7
81.07050	100.0
83.08624	3.0
90.39234	2.7
91.05489	15.3
93.07043	26.5
94.30567	2.8
95.04974	4.0
95.08601	73.6
97.06563	3.7
105.06480	2.4
105.07022	14.0
107.08596	16.2
109.06505	4.0
109.10148	33.6
109.10725	2.6
109.66636	2.5
114.58092	2.3
115.03972	4.1
117.07043	3.8
119.08630	11.0
120.36991	2.5
121.10171	15.9
123.11719	16.3
125.83462	2.6
127.03926	5.1
129.07048	3.6
130.43684	2.6
131.08614	8.8
133.10150	4.4
133.57152	2.4
135.08044	2.9
135.10873	2.7
135.11748	12.4
136.74133	2.7
137.13310	5.7
143.08545	3.7
145.10179	5.7
147.11748	5.5
149.09821	2.4
149.13315	6.0
153.09183	3.9
157.10184	3.1
159.11714	3.4
161.13303	6.1
163.14856	6.7
173.13309	3.6
241.19556	5.2
255.03612	3.1
315.23392	7.5
333.24313	14.7
351.25278	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.7
60.57985	16.5
67.05482	47.1
71.08636	100.0
76.10075	18.6
79.71011	17.6
81.07054	57.0
91.05441	34.0
93.07072	43.2
95.08592	46.5
99.08108	69.9
100.91105	17.5
101.35787	17.8
104.90162	18.3
105.07021	46.5
107.08598	32.3
121.05077	18.1
121.10173	21.0
131.08582	34.4
133.10147	51.5
173.13379	28.5
187.14862	29.9
199.26888	19.6
301.40707	23.0
351.21353	30.6
351.25046	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
53.05764	6.2
55.05495	12.7
57.03427	34.7
57.07073	5.9
67.05502	50.8
69.07054	15.7
74.48684	6.1
74.53259	6.3
79.05487	63.0
81.07050	72.3
83.08580	6.4
85.06573	7.9
89.89014	7.0
91.05484	36.4
93.07040	100.0
95.04972	7.9
95.08577	50.8
105.07027	32.5
107.08584	70.8
108.04855	7.4
109.10142	17.0
117.06997	7.6
119.08592	17.2
121.10137	49.4
133.10121	8.2
135.11658	49.2
145.10115	9.3
147.11693	13.5
149.13312	38.1
155.10660	9.9
163.14825	12.1
331.47412	8.6
333.24271	70.2
351.21338	13.0
351.25034	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70659	1.3
54.29900	1.3
55.01876	1.6
56.05006	1.5
58.99583	2.7
67.05506	7.0
70.02937	1.8
70.06608	2.5
72.08165	3.4
73.02930	3.6
74.00659	46.6
74.02456	1.6
79.05511	2.1
81.03419	2.1
81.07059	1.9
84.08173	1.7
85.76276	1.8
86.00656	4.3
86.09711	1.6
88.03986	9.2
89.00639	3.4
91.05512	4.6
91.71124	3.8
92.01709	2.8
93.07054	6.0
95.08619	3.3
97.01117	2.3
102.67314	1.7
105.07034	3.1
107.08635	4.6
108.42367	1.6
112.54005	1.5
114.00160	2.0
119.08634	6.0
120.01160	100.0
120.08131	2.3
121.10194	5.1
122.02755	2.0
131.08649	6.0
132.01172	3.2
133.10129	3.2
136.06255	3.8
137.09610	2.4
140.01686	6.7
149.09685	7.9
161.03825	1.8
177.09189	2.0
193.91762	1.8
215.12987	2.3
220.12035	4.6
224.10979	2.0
225.09512	2.2
252.10509	12.2
256.33835	2.1
270.11685	2.6
271.10068	3.6
288.12689	2.8
298.11136	8.4
316.12421	2.2
334.13116	11.0
352.14218	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	352.1657
Annotation	Phenylalanyltryptophan
Peak:m/z	Relative Intensity
68.05001	1.3
69.04185	1.6
69.04546	25.5
69.71377	0.9
71.33282	0.9
75.15221	0.8
76.27975	0.9
81.04535	5.3
82.05316	5.4
83.06100	31.9
91.05453	2.3
92.29610	0.9
93.07021	3.9
95.05002	1.1
95.06089	10.1
107.03409	0.8
107.04933	8.8
111.05546	2.8
117.07029	1.4
118.06532	2.6
120.08064	1.6
121.06499	26.7
130.06538	2.5
130.54146	0.9
131.07315	1.7
132.08064	3.4
138.56943	0.9
139.05055	1.1
144.08063	12.5
160.88014	0.9
172.09930	3.2
182.08417	3.3
183.09167	3.0
184.08699	2.9
186.10207	4.4
198.10237	4.1
199.11012	9.8
212.11804	1.9
226.12317	3.0
235.54033	1.1
279.14920	3.9
289.13348	1.2
306.15973	100.0
334.15573	2.2
352.16513	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	352.19
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93297	2.6
67.05495	9.6
70.06571	11.4
75.04461	4.3
81.07040	8.1
91.05473	15.8
92.78481	3.8
93.07024	18.3
95.04936	8.1
103.05457	8.8
107.04944	100.0
108.08089	13.9
120.08083	10.8
120.32098	3.7
121.06497	99.3
126.09159	29.2
130.64978	4.2
138.09128	14.3
187.13315	3.5
212.52098	4.1
232.13332	9.3
246.14847	5.6
287.05463	5.9
317.15771	9.3
333.94800	4.1
345.55234	4.4
352.19086	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83547	1.1
79.05480	1.1
91.05488	8.6
93.07036	13.4
95.04980	7.4
103.05455	11.1
105.66578	1.2
107.04948	95.7
108.08121	11.2
118.06512	1.6
120.05682	1.4
120.08096	11.0
121.06497	78.9
126.09149	23.4
128.08316	1.3
130.36694	1.4
132.08217	1.3
138.09131	12.5
148.53171	1.2
168.81348	1.3
207.35397	1.4
232.13290	9.9
245.14110	1.6
246.14850	15.1
332.12045	1.7
352.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
55.05486	2.5
56.96568	2.4
57.41133	2.4
66.02650	2.1
66.28857	2.7
67.05504	9.8
68.89274	2.2
69.03442	8.2
70.06586	7.0
71.04987	2.4
78.99928	2.7
81.03399	3.4
81.07063	10.2
82.06615	3.0
84.08163	2.7
85.02891	13.8
86.09735	3.7
86.30821	2.9
91.05493	4.1
93.07030	7.5
95.08595	23.0
97.02937	3.0
99.04476	4.8
109.10139	25.5
111.08080	47.9
119.08628	4.2
137.09610	57.2
137.10594	3.8
139.30580	3.3
140.08711	3.3
155.10655	100.0
173.11705	20.0
176.11812	2.7
198.78691	2.8
322.66577	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	352.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44957	9.1
55.05497	24.5
65.03948	10.1
67.05493	60.2
69.07054	16.7
71.08591	9.1
71.24685	7.7
79.05492	45.5
81.07042	40.5
83.08647	10.2
90.71398	10.0
91.05473	100.0
93.07040	30.9
95.04983	15.4
95.08588	36.0
105.07013	67.1
107.08608	14.4
109.10140	9.9
111.47388	9.4
117.06988	36.2
119.08568	66.0
121.10115	13.8
129.06975	10.5
131.08577	23.8
133.10077	18.4
212.58046	11.1
352.13712	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	352.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44957	9.1
55.05497	24.5
65.03948	10.1
67.05493	60.2
69.07054	16.7
71.08591	9.1
71.24685	7.7
79.05492	45.5
81.07042	40.5
83.08647	10.2
90.71398	10.0
91.05473	100.0
93.07040	30.9
95.04983	15.4
95.08588	36.0
105.07013	67.1
107.08608	14.4
109.10140	9.9
111.47388	9.4
117.06988	36.2
119.08568	66.0
121.10115	13.8
129.06975	10.5
131.08577	23.8
133.10077	18.4
212.58046	11.1
352.13712	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	352.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33349	42.1
70.08823	39.4
71.08633	51.1
72.08164	66.4
83.65060	42.9
89.06026	100.0
97.95564	47.9
133.65239	67.9
250.59741	52.3
295.94067	54.9
335.28033	57.8
366.20883	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	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.7
57.03413	6.6
57.07059	28.9
58.19249	3.7
67.05495	81.9
69.07059	19.8
69.31072	3.9
71.08614	15.8
76.35190	5.1
79.05504	9.1
80.75612	4.4
81.07043	100.0
83.04966	6.2
83.08617	18.4
91.23233	3.7
91.58497	4.3
93.07051	13.0
95.08596	89.8
95.09159	7.6
97.10155	9.6
102.21684	3.8
105.07048	5.7
105.26065	5.2
107.08585	7.3
107.28980	3.8
109.01295	4.6
109.10158	38.5
111.33027	4.7
121.10145	8.4
121.34899	4.4
123.11714	17.5
133.10127	5.5
135.32852	4.6
137.13225	7.0
153.24800	4.2
182.13287	5.4
274.79410	5.1
290.03372	5.0
317.28574	5.9
335.29480	54.5
352.32129	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	352.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	19.3
55.05511	32.7
57.07063	8.4
61.39038	4.0
67.05494	77.2
67.44320	4.2
68.93452	4.5
69.07058	51.2
70.99713	4.1
71.08619	5.2
76.14775	5.0
76.28307	4.6
79.05482	14.7
81.07051	100.0
83.04960	10.9
83.08607	46.8
84.67891	4.9
86.75475	4.8
91.05470	9.1
91.71796	4.5
93.07036	24.0
95.08588	67.7
97.06559	5.0
97.10163	16.2
105.07035	7.7
107.08574	15.6
109.10146	38.7
111.11748	6.6
121.10141	14.9
123.11727	14.5
130.86320	4.6
135.11661	13.0
149.13185	7.8
173.13274	4.9
202.22676	6.1
212.16249	7.4
317.28226	7.9
335.29343	69.9
352.31976	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3209
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
55.05501	8.8
57.07074	13.4
66.08560	4.9
67.05487	14.9
69.07060	8.5
70.15912	7.1
72.55981	4.9
74.06080	9.5
81.07064	19.6
82.06582	10.3
83.08636	12.7
88.24353	6.4
91.71008	7.4
95.08612	12.9
100.07633	13.4
104.21995	6.6
109.10175	7.4
125.49856	6.6
166.40498	7.1
179.40521	6.6
310.26828	6.9
324.32687	13.8
334.31140	29.3
352.32059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28748	2.8
55.05502	6.2
55.81038	2.8
57.07058	15.9
67.05500	4.7
69.07059	20.3
71.08621	38.6
81.07034	6.7
83.08611	6.7
88.11261	54.1
93.07050	4.2
95.08603	5.1
112.04271	4.0
132.99770	3.8
137.11365	3.9
153.82695	4.0
156.13898	4.6
184.16936	6.7
217.23019	4.3
269.75641	3.9
277.43585	4.4
352.35699	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	352.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59996	2.6
51.91959	2.6
56.11535	2.6
57.07063	4.4
64.53874	3.2
69.07063	6.1
69.59902	3.0
70.45242	3.5
74.49648	2.9
75.42513	3.0
86.09700	51.9
89.39729	3.0
89.59278	3.2
96.67241	3.3
146.16985	3.6
183.46558	3.8
283.81067	3.7
352.35687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
50.93602	8.7
54.68620	8.6
62.79306	11.0
66.55382	10.9
109.60873	10.0
128.70622	11.6
147.36098	11.1
150.50336	9.3
179.96239	10.8
185.04507	12.4
255.81090	13.5
281.73361	13.6
353.08350	100.0
369.90582	11.6
373.12079	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	353.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01474	2.5
53.21395	2.9
56.06049	2.8
57.14890	3.3
59.69117	2.7
70.06577	8.2
74.04994	3.2
74.06049	10.0
84.04517	5.9
84.08139	7.8
86.09684	11.4
91.05524	4.2
91.71105	3.6
96.04479	10.5
103.67316	3.2
110.06063	5.3
120.04500	3.2
122.36008	4.0
124.04013	4.0
126.53110	3.5
130.08655	4.4
131.45480	3.5
136.07585	5.8
147.15584	3.6
148.49686	3.3
152.07086	3.1
170.09682	6.5
174.09157	7.4
186.09181	6.5
187.12334	9.3
198.09172	13.5
199.08727	5.7
200.09396	6.8
201.10237	9.0
213.06749	3.9
213.10170	3.3
214.07291	5.7
215.11815	21.2
216.10240	6.4
226.08795	6.6
227.08148	8.2
229.09750	14.1
243.11279	41.6
244.09746	8.7
257.09271	8.8
271.10721	100.0
271.13501	6.0
272.09100	4.9
274.12811	3.9
281.09152	4.1
289.11868	4.6
290.10245	14.9
299.10089	26.6
306.09793	13.2
308.11307	4.6
317.11298	39.5
335.12347	31.2
336.10770	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	353.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70666	2.8
57.46629	2.8
67.05470	4.1
67.33887	3.4
69.03417	3.2
70.06573	14.0
71.59902	3.4
73.56567	3.0
80.46612	3.2
84.08123	6.8
85.83817	3.7
92.31564	3.1
97.02901	5.5
117.15887	3.5
129.10239	3.9
130.36618	3.3
136.07587	13.7
144.08066	5.3
160.07617	4.0
162.05519	18.6
164.07028	4.6
172.06093	6.4
172.07573	7.7
174.09143	16.2
186.09190	13.3
198.09114	4.7
200.07135	13.5
201.10216	9.9
211.08742	6.0
214.08615	24.7
228.06560	5.5
228.10265	6.0
229.09717	22.6
242.08067	10.3
244.09869	5.4
245.09200	21.5
246.07558	5.0
257.09204	5.1
259.08395	8.3
260.09106	24.8
271.10886	17.1
281.09238	8.7
287.10086	9.1
290.10226	100.0
299.10120	8.6
300.08685	12.3
305.11185	4.4
317.11203	5.9
318.09543	20.4
332.84525	4.6
335.12393	8.0
336.10742	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	10.9
55.05510	4.4
58.96095	2.3
67.05492	29.8
69.03411	10.5
69.07055	7.2
70.06553	4.2
71.04980	100.0
79.05097	3.0
79.05463	18.2
81.07050	21.4
82.09118	2.6
83.04976	7.1
85.06536	33.7
87.04451	22.1
91.05466	25.4
93.07040	15.9
95.04938	3.3
95.08588	11.9
97.06515	35.0
101.06001	12.8
105.07018	10.4
107.08592	11.6
108.48525	3.1
109.06512	6.2
111.08131	3.6
113.06007	3.5
115.03940	10.2
117.07022	5.7
119.08570	11.3
121.06486	3.2
121.10136	8.6
123.08070	4.5
131.08566	7.7
133.10121	16.1
135.11693	11.6
137.09621	5.4
141.98839	3.0
143.08501	3.2
145.10039	4.0
145.91862	3.0
147.11678	5.2
149.13271	3.7
151.11208	10.3
155.07014	4.3
157.10191	3.7
160.60722	2.8
169.12277	3.5
173.13293	5.3
199.14828	9.6
217.15912	3.8
223.89693	2.9
235.16925	8.0
253.17960	8.9
263.16434	6.6
281.17389	22.8
299.18512	4.0
307.36548	3.3
311.86145	3.0
330.32245	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	353.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.3
55.05495	8.2
57.07058	3.9
59.67562	3.0
65.00416	2.4
67.05231	2.5
67.05495	30.6
69.03422	8.2
69.07050	6.1
71.04984	100.0
74.63409	2.7
79.05487	22.2
81.07050	23.0
83.04941	6.0
85.06532	28.8
87.04455	17.2
91.05473	26.4
93.07028	18.4
95.04993	5.9
95.08595	13.6
97.06531	37.6
101.06009	20.6
101.06590	2.6
105.07053	8.8
107.08592	11.9
109.10133	5.9
111.08067	4.2
115.03931	8.7
117.07021	4.8
119.08600	14.3
121.10130	10.6
123.08051	6.2
131.08575	9.3
133.10126	19.3
135.11684	7.7
137.09615	4.5
141.05449	4.0
145.10136	6.7
147.11688	4.3
148.03996	2.8
148.93848	3.3
171.11763	3.6
183.13792	3.4
199.14864	10.4
209.99927	3.4
211.35693	3.7
215.12793	4.1
232.32350	3.1
235.16898	8.4
253.17902	7.8
253.66995	3.4
263.16458	10.0
281.17487	29.5
299.18439	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.48684	4.8
50.91546	5.9
55.05492	19.9
56.55923	5.4
67.05498	81.2
69.07050	19.3
79.05471	43.7
81.07053	100.0
81.24072	7.2
83.08614	11.6
89.99283	5.5
90.94526	6.5
91.05467	24.4
92.26692	5.7
93.07034	59.5
95.08591	72.8
96.52564	5.3
99.08078	7.9
104.60983	6.4
105.04678	7.2
105.07030	14.2
107.08577	45.3
109.10130	34.7
119.08598	19.6
121.10155	38.1
123.11735	19.4
131.08589	19.7
133.10143	12.0
135.11700	30.5
145.10085	16.9
147.11697	13.6
149.13246	16.4
153.83311	6.5
159.11685	18.3
162.34001	6.7
163.14844	11.4
164.39738	6.0
173.13240	13.9
243.21098	21.5
256.93884	7.8
261.22131	61.1
353.26880	24.5
375.20493	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95564	2.2
51.00740	2.1
51.49435	2.6
51.67991	2.2
53.00287	2.3
55.05495	10.5
57.03414	4.6
57.07057	4.9
67.05493	82.6
69.07059	15.4
69.75290	2.5
70.80826	2.8
75.42236	2.9
76.94083	3.0
76.99577	3.0
79.05469	26.4
81.07047	100.0
83.08586	6.1
91.05477	18.4
91.70936	7.0
93.07033	55.2
95.08596	63.5
97.10166	4.7
105.07032	13.1
107.08590	26.4
109.10146	30.6
110.98391	3.7
117.06997	4.4
119.08578	11.9
121.10126	26.4
121.59687	3.4
123.11725	11.6
131.08563	14.4
132.40231	3.4
133.10127	9.9
135.11693	13.6
137.07860	2.9
137.13248	4.9
141.94893	3.0
145.10133	10.7
147.08109	3.1
147.11685	7.1
149.13271	13.9
159.11687	9.4
161.13231	5.6
163.14850	4.8
170.68039	3.1
173.13255	9.7
175.14880	3.5
175.33173	3.5
187.14847	4.1
200.13675	3.7
213.66423	3.4
243.21114	17.5
261.22089	57.7
335.25604	7.2
353.26849	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03188	1.8
55.05512	15.5
57.03422	4.6
57.07061	3.1
58.29977	2.5
65.21581	1.9
67.05487	23.9
69.03398	2.5
69.07061	23.6
71.04987	5.4
71.08630	21.0
73.90376	2.1
79.05493	14.8
81.07050	52.4
83.05016	2.8
83.08599	9.1
85.06530	2.8
91.05460	9.8
93.07044	31.2
95.04960	11.3
95.08604	32.5
97.06528	6.8
97.10135	4.7
99.08076	10.1
105.07045	12.1
105.07625	2.3
107.08577	21.9
109.06509	28.3
109.10187	13.7
114.90079	2.6
119.08577	8.0
121.10171	6.0
123.08040	6.4
123.11747	3.2
129.42577	2.4
131.08493	3.1
133.10126	7.4
135.11702	4.2
139.75079	2.2
139.89473	2.6
141.97908	2.2
149.13298	4.2
153.12772	3.2
153.71461	2.7
160.46057	2.6
163.14787	2.8
165.12735	39.9
175.14824	4.3
181.09856	2.7
193.15894	6.4
235.17064	5.8
291.23145	100.0
335.25653	3.4
353.26843	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.11498	2.1
55.05500	13.3
57.03440	7.2
57.07079	2.3
58.76512	2.1
65.03946	2.7
67.05494	98.6
69.07059	16.9
73.76528	2.2
79.05489	30.0
81.07046	100.0
83.08632	10.2
83.21886	2.3
85.06530	3.1
86.42647	2.8
91.05457	16.5
93.05109	2.4
93.07033	52.6
93.07539	3.2
95.05000	3.8
95.08597	76.8
97.06566	3.6
99.08079	3.0
105.07019	16.0
107.08589	32.7
109.10144	33.6
109.10757	3.3
117.07077	5.6
119.08602	17.5
121.10132	24.5
122.74222	3.0
123.08187	3.3
123.11758	11.0
131.08577	14.7
133.10170	12.1
135.11716	25.4
137.13307	5.0
145.10194	8.5
147.11716	9.7
147.32886	3.0
149.13260	14.2
159.11734	11.7
161.13339	7.8
163.14902	10.4
173.13350	12.6
175.14958	3.5
187.14856	9.4
233.22678	2.9
243.21112	13.7
261.22113	59.8
261.24597	4.7
262.09625	3.5
279.23169	3.3
301.02994	3.2
313.97540	3.1
335.25903	11.5
353.26700	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48194	4.6
52.48449	4.8
55.05507	10.5
56.46503	5.0
61.66166	5.1
67.05490	76.9
69.07072	20.3
70.69839	6.1
78.26678	5.8
79.05490	37.9
81.07047	100.0
83.08618	12.1
91.05502	27.3
93.07027	49.4
95.08603	60.3
105.07042	18.6
107.08622	29.8
109.10159	18.1
119.08627	14.1
121.10162	22.8
123.11780	9.7
125.09638	8.0
131.08598	11.6
133.10191	14.4
135.11745	13.0
143.20319	6.7
145.10210	9.7
147.11668	10.9
149.13278	15.8
155.38840	6.8
159.11713	7.4
163.14789	9.5
173.13313	18.9
177.16449	10.6
197.84485	6.9
243.21170	18.5
244.51674	7.1
249.40619	8.1
261.22095	44.5
295.43124	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19512	7.7
54.67005	8.1
55.05499	11.4
56.96506	7.7
57.07079	14.2
61.75138	8.5
67.05492	98.1
69.07060	14.5
76.51669	10.5
79.05473	48.1
81.07053	100.0
91.05476	32.8
93.07049	58.6
95.08595	76.8
97.06545	11.5
105.07014	25.0
107.08570	25.7
109.10135	13.9
121.10142	31.2
125.22356	12.3
131.08545	20.9
135.11702	22.3
145.10083	17.8
149.13289	11.5
173.13380	11.8
243.21107	27.6
261.22037	53.5
281.03394	11.3
294.42975	13.5
335.25931	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.63432	2.9
55.05492	13.3
55.05746	3.2
57.07062	5.7
65.40199	3.3
67.05496	99.9
69.07048	15.9
71.08652	3.8
79.05492	33.7
81.07047	100.0
83.08616	6.8
91.05465	32.8
91.70948	3.4
93.07035	59.9
95.08605	78.7
105.07031	26.5
107.08597	46.0
107.85489	3.6
109.10155	36.0
117.07043	9.4
119.08569	8.9
121.10119	31.8
123.11718	14.7
131.08569	20.0
133.10139	14.3
135.10805	4.9
135.11682	26.1
145.10103	15.7
147.11664	11.7
149.13251	17.5
159.11714	14.7
161.13287	11.2
163.14777	8.3
173.13280	14.6
179.14301	5.3
184.40352	4.5
187.14861	11.3
200.58063	5.1
243.21005	21.5
261.22104	76.8
335.25833	9.2
353.26791	12.5
365.74451	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	353.2684
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
55.01867	3.5
55.05494	18.6
57.06824	4.1
57.07066	34.1
58.43287	3.2
59.74739	3.9
67.05491	36.7
69.07053	23.7
71.08619	20.2
76.21721	3.6
79.05491	11.2
81.07047	54.7
82.07393	4.2
83.04955	4.9
83.08607	11.6
85.10149	7.1
91.05474	6.0
93.07032	21.6
95.08591	40.9
97.10159	4.7
107.08601	15.9
108.43007	3.6
109.10173	22.2
111.04441	9.3
120.34441	4.6
121.10134	12.5
123.11739	11.4
124.12038	5.9
131.08566	7.1
135.07903	4.0
135.11693	9.7
137.13280	4.6
137.69775	3.7
141.74800	3.8
146.17159	4.1
149.13242	5.5
153.09177	4.6
167.10655	9.0
195.13939	5.0
209.15434	7.1
223.16927	15.4
231.91901	5.5
237.18434	18.8
251.20079	6.5
293.24716	100.0
336.29669	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.8
55.05501	8.4
57.03416	6.1
57.07056	3.7
65.03936	3.3
67.05497	100.0
69.07055	13.5
71.04967	3.0
71.08632	2.3
79.05486	32.1
81.07048	94.2
81.07528	4.5
82.07365	1.6
83.08616	7.0
91.05465	22.9
93.07033	52.9
95.04959	5.4
95.08601	73.8
97.06533	2.6
97.10148	2.6
105.07022	15.9
107.08585	30.9
109.10151	31.3
110.32648	1.5
111.11741	1.9
117.07008	6.7
119.08577	10.3
121.10138	24.7
123.11697	22.4
131.08563	13.3
133.10121	10.4
135.11685	23.0
137.13243	3.6
141.95094	1.8
145.10129	13.0
147.11696	8.7
149.13257	16.1
151.14867	2.3
155.54987	1.6
159.11745	8.5
161.13266	5.8
163.14816	12.4
173.13260	9.0
175.14862	2.9
177.16405	2.3
187.14838	5.9
205.15889	2.5
233.22633	2.2
243.21115	16.6
261.22107	62.7
279.23340	3.6
335.25781	7.9
353.26880	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	354.042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86060	15.5
54.73381	15.2
55.93529	21.5
65.32136	18.3
72.93807	19.9
73.67689	20.6
81.07022	26.9
85.55155	17.5
107.08514	26.5
111.90857	20.2
136.19250	19.4
139.77156	19.5
169.38318	21.3
221.19217	21.8
253.01848	25.2
266.34695	20.3
269.02530	38.6
273.86331	23.9
287.03604	24.7
292.04156	31.4
301.93756	20.8
310.05286	56.9
331.02362	46.2
333.06775	33.2
336.03253	44.0
354.03973	34.7
377.05798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36546	10.2
56.96556	86.8
60.61623	11.1
74.71929	11.2
83.08562	12.5
84.04482	15.4
88.97238	11.2
95.04970	15.3
97.58734	12.6
97.99188	17.5
100.11247	23.7
102.02274	13.8
197.01396	15.4
220.02785	27.8
223.59293	14.6
308.05774	18.6
313.03827	38.4
331.04776	31.0
336.05377	100.0
354.06271	68.3
372.07611	20.3
377.07999	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0949
Annotation	Acenocoumarol
Peak:m/z	Relative Intensity
50.37844	3.3
54.30265	3.7
56.96532	4.1
64.21456	4.6
74.06702	5.0
82.76323	4.1
85.02904	5.5
118.43690	4.8
118.81351	5.0
120.08109	4.3
130.85234	4.5
131.19199	4.3
133.43808	4.7
181.77362	4.1
216.48293	5.3
227.25153	6.1
232.77855	4.7
304.96188	4.6
354.09451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48949	7.7
55.05509	67.9
55.10125	7.4
57.07073	59.2
67.05499	63.9
69.07051	100.0
71.08625	51.9
79.05502	11.5
79.44818	7.9
81.07044	97.8
83.08603	95.2
85.10184	17.1
86.31461	8.9
91.05461	11.2
93.07055	22.6
94.64204	8.6
95.08595	94.3
97.10161	79.8
100.01997	9.4
107.08607	13.9
109.10149	33.5
111.11715	35.9
121.10111	11.4
123.11735	22.4
125.86552	10.0
137.13226	16.6
147.11679	15.6
161.13313	16.0
179.14470	9.4
181.01750	9.9
231.92694	10.4
232.64346	12.2
319.29941	34.9
350.32571	10.6
355.32083	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	354.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	49.5
57.07065	41.4
57.07300	7.3
67.05491	60.5
69.03421	5.5
69.07058	100.0
70.89613	5.8
71.08620	40.8
73.63866	5.0
79.05487	7.9
81.07048	78.1
83.08610	75.9
85.10168	13.4
91.05462	10.9
93.07043	20.4
95.08605	72.1
97.06560	8.1
97.10149	72.9
105.07012	6.6
107.08575	12.2
109.10133	29.6
111.11709	23.1
119.08558	10.6
121.10109	16.0
123.11684	15.4
125.13264	9.4
137.13283	8.6
147.11714	7.6
149.13286	7.2
151.11214	8.7
161.13280	11.4
176.36877	6.1
300.86655	6.2
301.29031	13.4
319.30066	30.0
336.32474	14.3
354.33636	19.4
370.66959	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	83.4
60.05855	50.6
63.71701	46.4
69.07082	62.7
71.08640	78.9
74.24939	61.6
81.07037	100.0
83.08611	82.6
83.48008	53.9
89.66753	61.8
97.39860	52.1
105.05390	62.0
131.42728	63.4
135.54036	62.7
147.92075	60.8
151.04930	66.2
263.80130	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.23487	15.7
57.07073	20.1
57.48158	16.9
58.06587	31.7
69.07065	40.3
70.84284	20.1
81.07058	32.2
86.76105	22.0
107.48075	19.5
127.41725	21.2
354.33640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.6
56.79095	3.0
56.83150	3.3
57.07058	4.9
65.62936	3.5
67.05497	59.3
68.05836	12.6
69.07052	14.6
70.06571	21.8
70.35821	3.8
79.05476	15.6
79.18646	3.9
81.07049	43.0
82.07388	11.6
88.07616	31.7
93.07037	17.2
94.07360	7.8
95.08605	36.5
95.43115	3.9
96.08942	12.4
100.07578	5.7
102.81484	4.2
105.07043	4.9
106.07350	4.4
106.08671	11.4
107.08595	6.4
108.08929	9.8
109.10160	16.8
110.10490	4.2
119.08589	4.9
121.10144	11.0
123.11718	5.4
125.00048	4.8
134.99651	4.6
150.37305	5.4
151.31761	4.2
151.92720	4.5
163.14845	6.0
164.14999	4.0
178.16708	4.1
185.37094	4.0
186.54764	4.8
212.27524	4.3
244.21400	10.4
247.47438	4.7
262.22443	25.8
309.78220	4.7
336.26062	5.5
354.23877	6.5
354.33615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	7.1
60.57666	2.0
64.57858	1.9
66.94190	2.3
67.05474	2.0
69.07037	2.7
71.08597	5.4
73.82298	2.2
75.90994	2.3
88.07619	13.7
92.51792	2.2
102.09158	7.4
114.72104	2.7
139.93948	2.5
143.60582	3.2
284.29428	20.9
317.16339	3.0
354.37201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.0
65.38703	1.5
70.06573	3.6
84.08116	1.8
89.03919	4.3
114.07426	1.5
115.30228	1.6
116.04964	16.6
129.10245	1.9
134.06013	5.3
144.04443	25.1
162.05507	11.7
164.07094	2.3
172.03914	74.4
204.06549	100.0
296.73553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2266
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.07072	11.4
68.46432	4.0
79.05484	3.8
80.70517	3.3
81.07081	3.2
91.05499	11.8
92.13017	3.4
105.07064	4.2
105.80232	3.2
118.18526	3.5
118.49197	3.3
119.04896	4.1
119.08633	13.9
121.06494	30.6
125.71960	3.2
135.08072	6.7
137.09660	14.6
149.13364	4.2
164.52487	4.6
175.07500	21.4
177.12738	98.7
191.10648	100.0
299.16367	19.0
346.89163	3.9
355.22736	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	355.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38755	13.8
53.17770	16.2
56.70809	14.8
67.05493	58.6
68.88573	14.4
79.05465	46.3
81.07040	33.9
83.21967	16.8
91.05461	69.6
93.07033	34.4
95.08581	27.4
97.01160	16.3
105.07030	46.9
109.10197	20.7
117.07032	44.5
119.08588	36.6
122.15132	18.2
129.06981	20.1
131.08545	100.0
133.10112	20.6
143.08682	21.8
145.10094	26.3
159.11687	43.6
169.10172	20.6
171.11674	18.2
171.29364	17.2
173.13351	24.5
185.11563	17.7
185.13251	23.9
276.11545	19.6
281.42920	21.1
296.29568	21.5
355.22656	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83686	7.1
55.05494	13.7
57.03422	37.9
62.10315	7.3
64.56822	7.5
67.05493	29.5
67.51509	7.8
69.07053	14.6
71.31875	8.4
75.04475	22.6
78.20811	9.2
81.07049	40.9
83.08622	15.6
85.14847	7.3
91.71115	15.6
95.08617	39.2
109.10116	13.8
113.92883	8.0
129.64792	8.1
177.91342	10.3
268.50320	9.7
272.21442	9.1
313.96478	13.4
321.33862	9.4
323.54837	10.9
327.92508	9.4
355.28336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	28.8
57.03438	6.0
57.07060	12.2
67.05491	92.7
69.07056	29.2
71.08605	9.2
79.05473	21.0
81.07047	100.0
83.08610	22.3
91.05464	20.0
93.07037	28.4
95.08599	85.1
97.10168	15.1
105.06989	8.9
107.08598	25.2
108.25864	8.0
109.10141	36.1
119.08565	14.4
121.10152	16.4
123.11698	17.4
133.10164	19.6
135.11690	16.4
137.13226	7.4
147.11697	10.8
149.13290	9.6
161.13260	11.9
163.14842	15.9
177.64168	8.2
179.17900	7.9
194.99615	7.7
209.06686	7.4
245.22670	37.8
263.23700	33.7
337.27335	23.3
347.13651	7.8
355.28152	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
51.46302	11.8
55.05500	28.2
57.07054	25.3
60.19209	16.2
66.43838	13.7
66.81967	14.2
67.05492	97.7
67.05779	15.7
68.63435	14.8
69.07061	28.1
69.21239	14.0
71.08619	24.1
79.05459	16.9
81.07037	100.0
83.08596	42.6
91.05457	26.4
93.07027	40.4
95.08582	67.7
105.46887	17.9
107.08599	18.6
109.10147	39.8
121.10146	23.3
123.11716	19.7
125.09594	16.0
147.11726	25.7
157.47961	15.5
161.13313	19.2
175.80832	18.1
191.65010	17.5
245.22603	35.9
263.23581	32.6
305.49738	21.1
330.75476	18.7
337.27359	33.2
355.28186	40.9
362.77612	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	47.0
56.54005	10.7
57.07063	11.2
57.91205	8.9
66.11169	8.6
67.05489	78.4
69.07065	62.1
79.05462	17.2
81.07041	100.0
82.40539	8.9
83.08582	12.7
89.25906	10.0
91.05471	14.8
91.28603	9.3
93.07038	36.7
95.08603	91.2
97.10189	17.8
98.97565	9.9
104.36156	10.3
105.07024	13.0
107.08563	24.0
109.10142	33.4
119.08618	12.7
121.10134	21.0
123.11674	13.2
135.11707	13.6
158.33191	10.5
186.60278	11.6
245.22629	14.4
257.86920	13.4
263.23672	32.8
296.81570	13.0
312.03717	11.6
337.27438	14.7
355.28531	15.1
355.34021	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	355.2842
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.83553	6.8
55.05499	54.9
56.96542	7.4
57.03419	27.3
57.07061	13.2
59.04996	9.7
67.05492	74.2
69.07053	67.9
71.54856	6.5
76.20278	7.8
79.05467	21.7
81.07054	100.0
83.04977	7.4
83.08609	38.8
91.05482	18.0
91.71590	9.7
93.07047	26.5
95.08593	67.9
97.10168	17.6
105.07091	10.2
107.08592	14.1
109.10159	40.3
111.28980	7.2
118.48840	7.0
121.10175	13.4
123.11673	16.9
135.11729	13.7
137.13208	10.4
139.44568	8.6
149.13283	9.5
149.75284	7.2
161.13213	9.5
185.48573	8.5
245.22699	11.2
263.23651	26.3
264.45587	9.0
337.27341	17.8
355.28329	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96868	20.2
55.05494	27.3
57.07081	46.1
65.19339	19.2
65.43462	17.7
65.48758	20.8
67.05503	48.2
69.07077	75.4
71.08637	100.0
74.69893	17.6
80.20213	19.9
81.07079	89.7
82.62576	20.9
83.08630	52.2
85.10194	49.8
93.07079	20.2
95.08633	84.5
97.10172	48.0
109.10170	42.1
155.14374	24.0
177.18561	22.8
228.97765	22.0
231.23932	20.5
233.36893	22.8
240.65285	22.1
323.75516	25.7
355.28485	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	44.4
58.41711	14.2
63.37906	16.7
67.05494	54.8
69.07064	45.5
69.67437	17.2
69.82256	16.4
71.08616	32.3
71.37701	17.4
81.07050	100.0
82.77994	16.4
83.08625	20.3
95.08601	53.6
97.10151	28.0
98.97578	19.5
109.10158	46.1
112.25295	17.1
121.10174	23.6
123.11664	24.2
124.11967	18.0
140.68483	18.9
153.89223	18.4
167.30461	18.3
280.07159	22.6
355.28394	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	356.1126
Annotation	Papraine
Peak:m/z	Relative Intensity
50.06580	3.9
51.44525	4.3
55.13815	5.0
60.95850	5.0
81.07056	5.7
137.04747	6.4
140.13878	5.3
149.02370	7.8
149.04626	7.6
162.05475	6.2
175.06346	8.9
195.09071	6.3
203.02519	5.4
205.07407	7.6
210.53995	6.4
262.08771	8.5
264.06561	6.6
266.08145	7.7
292.09680	8.6
294.07507	7.4
310.10654	8.2
320.09140	5.9
338.10263	29.2
356.11264	100.0
356.15414	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	356.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72371	2.6
51.67841	2.3
54.59019	2.9
56.96563	3.6
93.07037	3.2
111.43061	2.7
129.08669	3.3
313.57596	3.4
314.19498	4.6
315.18527	6.2
333.18930	24.4
356.20636	100.0
357.20544	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29184	1.8
55.05507	3.5
57.07068	92.1
67.05432	2.0
69.07057	4.2
70.06570	5.0
77.03917	2.3
88.07613	3.6
89.06023	31.2
91.05482	9.0
91.70976	2.5
93.07027	26.3
95.04980	13.6
103.05479	5.3
104.77313	2.1
106.08585	3.0
121.06497	85.4
125.35342	2.5
130.08618	5.7
133.08629	11.9
139.07504	5.8
147.08031	5.9
160.05702	2.6
162.09189	3.1
162.19350	3.0
164.73631	2.2
165.09090	33.0
180.13205	2.5
194.10292	2.5
200.43839	2.6
227.12762	100.0
258.54837	2.5
337.00162	2.9
338.34283	3.2
351.51471	3.1
356.35184	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	356.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	2.2
57.07065	18.7
62.06079	100.0
67.05491	6.5
69.07044	11.7
71.08627	11.0
71.08924	1.7
75.71675	2.4
76.44665	1.9
79.05476	2.2
81.07042	19.5
83.08611	3.9
84.45444	1.8
85.10172	4.1
95.08603	12.3
97.10204	3.2
109.10150	5.3
115.70941	2.0
123.11680	3.4
157.30388	2.3
339.32513	4.4
356.35220	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	356.3521
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.61777	1.5
53.62032	1.4
55.05505	11.4
57.07052	2.5
58.06564	2.3
68.12199	1.3
69.07059	12.1
70.06580	19.8
73.32561	1.4
83.08598	5.3
88.07621	25.1
96.47162	1.3
97.10178	3.8
102.09166	4.9
106.08659	12.0
118.04903	1.8
153.93925	1.8
162.37337	2.1
202.27359	1.9
221.16612	1.8
224.42029	1.8
247.08678	1.8
276.25949	2.0
333.63727	2.0
338.34048	6.6
356.35184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33313	16.9
56.96548	61.4
60.42361	15.7
70.08834	16.4
81.52473	16.5
183.69020	19.0
191.00227	37.9
209.01231	76.2
232.02800	38.1
271.06427	24.2
294.07925	39.1
297.04279	34.1
312.09094	47.2
315.05359	61.7
320.05914	63.0
335.10638	43.5
338.06900	100.0
356.07767	33.6
361.08603	52.3
379.09677	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34385	8.5
57.39820	9.1
61.52748	10.0
65.09316	10.3
67.84633	9.7
75.38280	9.1
78.70206	10.3
85.46111	11.4
91.05479	12.3
93.07035	35.9
104.30730	11.3
112.63269	12.3
116.05006	15.5
120.08142	29.6
142.67844	11.2
144.04483	14.6
148.07558	62.4
162.05408	17.1
172.03946	78.8
204.06511	100.0
250.80824	11.3
339.13498	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	357.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02940	12.2
72.93797	15.9
91.05474	15.3
95.08625	19.2
99.10292	12.6
113.96442	17.1
143.74666	15.0
154.99069	24.1
165.97189	17.1
186.71457	19.8
187.49016	16.9
188.01543	14.9
227.05074	15.8
289.61841	15.6
357.15073	100.0
371.61209	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	357.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45466	4.0
68.57492	4.9
70.06585	17.4
72.47649	4.6
84.04514	8.4
84.08125	15.2
86.09698	28.5
91.05452	5.4
97.08501	4.9
98.97591	8.8
116.56767	5.0
130.81458	5.3
132.10153	5.4
146.69966	5.6
172.70703	5.1
173.56677	5.9
175.07610	10.0
185.04213	6.2
196.51817	5.3
267.48947	6.1
267.60056	6.4
311.63211	6.2
342.76773	5.9
357.15192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42434	3.7
55.97241	3.8
56.96537	3.8
59.04980	5.9
84.04497	24.0
88.21169	5.1
91.05456	5.2
93.07014	8.6
95.01329	4.8
103.05450	7.2
107.04926	23.5
112.03949	11.5
121.06502	68.0
130.06543	7.9
144.06538	87.6
144.07765	4.9
144.08177	5.9
158.09663	18.3
160.07530	6.5
168.08073	6.4
173.08441	8.0
174.09222	9.2
186.09138	31.7
252.14005	9.0
280.13300	100.0
336.02020	6.1
340.15417	83.9
357.17877	25.5
371.90570	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	357.1809
Annotation	Nb-Demethylalstogustine N-oxide
Peak:m/z	Relative Intensity
61.40542	3.0
70.51393	3.2
74.94463	3.6
97.99174	4.4
106.12213	3.7
107.04936	6.9
112.02551	3.8
114.34357	4.3
121.06516	12.7
131.07330	6.3
133.08885	18.5
134.09659	5.9
146.09637	17.0
174.36006	4.8
185.21655	4.2
222.14804	4.4
240.13783	100.0
240.16045	5.7
280.60101	4.3
357.18033	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	357.1808
Annotation	Nb-Demethylalstogustine N-oxide
Peak:m/z	Relative Intensity
55.01882	0.8
58.02951	5.3
69.03432	2.3
70.06583	1.9
70.16714	1.2
77.96947	1.0
85.02897	9.6
89.23245	1.1
91.05498	3.0
93.07047	5.2
94.83199	1.2
98.06047	5.7
103.05488	2.9
107.04958	8.3
109.10159	1.0
116.07093	12.9
120.08134	1.0
121.06499	25.8
126.05499	2.0
130.06566	1.8
132.08139	1.6
133.09192	1.2
143.07289	2.0
144.06551	100.0
158.09711	4.9
160.07579	1.8
168.08144	2.2
170.60736	1.3
173.08379	2.8
174.09146	2.8
186.09175	9.6
232.09790	4.1
248.60039	1.2
280.13330	38.8
280.16724	2.7
311.17422	6.5
326.13858	22.9
340.19580	1.3
357.18106	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	357.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86303	7.2
59.37630	10.1
65.89339	7.3
92.93030	8.8
101.81259	10.4
109.15514	10.0
198.33322	9.6
218.98557	11.7
357.20477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.7
56.96575	3.7
57.07057	18.2
60.88006	4.3
67.05489	9.6
71.08627	12.7
79.18976	3.7
80.55398	3.2
81.07031	6.3
82.23679	3.7
84.08138	100.0
84.73792	3.7
85.10180	4.2
93.07063	4.4
95.08578	4.4
96.91119	4.6
98.97582	4.5
101.60300	3.8
107.08588	7.6
121.10148	4.5
137.05995	7.4
147.96364	4.5
174.98161	4.8
177.85597	4.6
249.47241	4.5
357.20319	34.8
357.31012	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	357.2398
Annotation	Arachidonyltrifluoromethane
Peak:m/z	Relative Intensity
51.25919	5.7
55.05489	6.4
55.33374	6.8
57.07049	10.7
62.08228	6.0
69.07041	13.2
81.07043	14.2
83.33358	7.2
83.46008	7.5
97.10163	10.8
177.61272	7.4
179.28186	7.7
332.32217	8.1
338.34302	9.5
357.23889	100.0
380.12622	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	357.24
Annotation	Arachidonyltrifluoromethane
Peak:m/z	Relative Intensity
57.07051	3.4
57.27826	2.6
67.05473	2.6
69.07068	4.9
70.39902	2.2
81.50749	2.8
88.27500	2.6
91.71729	3.1
100.11243	4.0
106.83807	2.6
197.89601	2.9
357.24005	100.0
364.75629	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	357.2421
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
51.06689	4.4
52.21827	4.9
54.17037	5.4
55.05495	17.4
59.70925	4.8
64.51610	4.8
67.05502	62.9
69.07056	13.0
79.05482	41.7
80.08633	5.0
81.07049	75.6
91.05470	80.3
91.71727	10.3
93.07030	57.5
95.04980	12.4
95.08590	49.4
105.07030	43.0
107.08597	29.0
109.10146	24.5
117.07007	19.3
119.08572	43.7
121.10173	23.2
123.11709	19.2
128.06261	7.9
129.07011	17.4
131.08580	35.2
133.10138	39.8
135.11714	26.7
143.08577	8.7
145.10141	21.1
147.11699	22.9
149.13281	13.1
155.08488	10.7
157.10130	15.3
159.11700	10.4
161.13275	23.7
171.11661	9.0
173.13332	12.1
175.14850	20.9
185.09596	7.0
187.14870	6.7
195.11528	8.3
199.14966	7.3
201.16402	12.3
321.22052	8.0
323.69141	6.5
339.23157	22.2
357.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2632
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
53.59012	16.9
57.07057	100.0
57.35203	19.0
66.45634	20.2
67.05498	28.3
69.07059	23.8
71.08624	88.6
79.05487	23.1
85.10184	54.1
91.71775	20.5
93.07043	35.1
95.08575	24.0
107.08593	41.9
137.05989	57.2
325.64914	24.8
348.15002	29.1
357.20300	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	62.3
57.07061	34.3
67.05498	100.0
67.73933	13.6
69.07055	90.0
70.77431	13.7
71.08616	27.7
75.27871	14.5
79.05482	33.5
81.07054	97.6
83.08610	71.0
85.57796	13.9
91.05499	17.3
93.07018	50.0
95.08606	85.6
97.06530	20.5
97.10161	43.2
107.08594	41.4
109.10164	41.8
121.10175	29.4
135.11676	57.2
149.13290	22.1
157.58145	16.6
165.16347	15.6
173.24414	16.1
247.24190	40.4
252.67532	16.9
265.25278	56.1
265.79910	17.4
279.76053	16.7
339.29114	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	357.2997
Annotation	3-oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05510	50.3
56.05009	8.2
57.03428	100.0
57.07063	27.6
57.22065	6.3
67.05495	11.1
69.07049	82.2
71.08627	10.3
75.04469	92.5
81.07025	10.2
83.08614	51.4
84.65424	7.6
85.10172	12.8
90.86707	7.3
91.71069	17.2
93.07014	9.9
95.08620	12.5
97.10159	42.7
98.06077	12.4
111.11710	10.9
128.55724	8.0
136.23923	9.1
200.82014	8.9
297.55328	9.4
305.12952	10.0
357.29959	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14676	1.5
56.05016	2.6
56.96540	2.2
57.07074	1.7
57.67963	1.8
58.97990	1.5
64.54653	1.8
71.08596	1.7
72.24092	1.8
84.08132	100.0
95.08585	3.3
98.97566	1.7
107.04958	7.1
111.87914	1.9
129.10179	2.1
130.08641	7.1
137.06006	3.0
147.11420	2.6
176.59616	1.8
248.85593	2.5
294.27960	5.3
327.14355	2.3
357.30930	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	358.1284
Annotation	Penicidone C
Peak:m/z	Relative Intensity
56.79047	2.1
78.22191	2.4
84.04507	7.5
96.35431	2.7
103.84670	2.4
104.42015	2.6
106.26597	2.9
113.85242	3.2
123.45641	3.1
137.04660	4.2
146.06070	3.0
149.04753	3.6
162.05495	8.9
175.06259	4.9
176.07065	10.2
178.08673	3.2
190.02676	3.1
193.07265	5.7
204.06596	4.9
205.07358	8.6
206.08133	21.0
264.06491	3.0
266.08078	7.3
278.08209	8.7
280.06073	5.4
292.09567	5.0
294.07913	6.7
294.11191	10.3
296.09192	3.3
302.74939	3.1
307.08374	5.8
312.12326	5.4
320.09323	3.2
322.10855	18.2
340.11887	18.6
358.12820	100.0
361.04584	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Malacitanine
Peak:m/z	Relative Intensity
52.32882	5.7
55.01861	36.3
70.91272	5.3
71.04975	8.0
76.08879	6.5
84.54807	5.5
91.05425	7.1
91.71680	8.1
94.18523	5.2
106.06551	11.4
107.04951	74.2
107.07355	16.3
120.08108	8.7
121.06487	55.1
144.08162	10.4
158.09660	9.0
159.10397	9.5
162.92726	6.3
168.92172	6.7
214.12093	7.3
240.14009	6.4
240.73882	7.8
252.13838	17.0
266.15405	12.6
294.14813	52.4
312.15875	82.5
340.15506	30.6
358.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
52.81967	5.3
56.96525	6.1
74.50468	4.3
80.03773	4.8
84.32509	4.5
98.45012	5.0
107.04957	30.5
121.06535	11.9
200.10655	11.9
207.07901	7.0
234.09085	6.4
238.08594	14.8
266.15271	11.7
294.14862	100.0
312.15942	17.2
340.15463	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	358.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08098	9.9
56.05031	9.9
67.05503	19.8
69.07078	18.1
70.06586	31.6
71.04980	18.4
72.86620	9.4
77.01042	11.8
81.07070	16.5
84.04486	100.0
84.08144	17.5
86.09715	24.2
91.05477	27.4
93.07076	14.8
95.04979	22.7
102.05560	53.7
105.07040	20.0
107.04984	29.5
109.06569	16.1
118.12680	12.1
130.04999	64.8
134.06059	14.9
147.11797	23.1
148.06114	46.1
166.17749	12.9
193.12357	17.9
273.25757	13.9
299.17163	13.7
299.30359	14.9
307.89789	14.7
315.13107	17.2
358.13077	21.7
358.18613	22.9
368.88931	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	358.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.3
56.05026	4.0
59.78887	1.7
68.63148	1.8
70.06592	5.7
72.08152	2.1
75.69355	2.0
80.04959	1.7
83.06088	3.6
83.08614	19.5
84.04499	94.0
84.08105	3.3
85.02878	3.8
86.09713	5.0
100.11250	100.0
102.05543	6.7
110.68395	2.2
116.07101	2.2
117.19018	2.0
122.06031	4.6
130.04999	51.8
134.06010	8.4
136.07568	2.8
144.04477	3.4
146.06012	3.5
148.03940	3.3
149.07082	2.6
164.07057	6.9
165.73758	2.0
166.04982	2.5
166.12300	4.9
168.06522	2.2
172.03961	8.9
183.14919	15.0
190.04990	21.6
195.07704	4.0
212.12814	40.6
229.15462	87.0
241.08205	7.5
263.58621	2.6
358.19788	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	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	11.8
58.06577	1.3
60.04525	0.8
69.70931	0.6
70.06583	23.1
70.22509	0.8
71.08614	5.7
83.99989	0.7
85.10165	2.1
85.34633	0.7
88.07108	1.7
88.07623	27.9
95.81405	0.8
102.09175	6.8
106.08656	13.5
108.11784	0.7
119.28582	0.8
154.10469	0.8
240.60672	0.8
306.20300	0.8
340.35620	5.2
358.36758	100.0
359.37045	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	359.0875
Annotation	Coumeroic acid
Peak:m/z	Relative Intensity
51.00412	5.6
55.05524	4.5
56.05048	4.6
59.66182	4.5
60.04522	5.2
62.65082	4.5
70.06596	25.9
71.06930	4.3
72.08147	50.4
77.06894	5.1
84.04504	17.7
84.08134	26.5
86.09698	60.0
88.21539	5.1
88.92381	5.8
126.03766	12.8
132.10246	7.6
137.06015	7.2
147.29276	5.3
148.07932	5.1
185.16483	5.8
225.06619	20.0
237.06654	17.6
253.06091	20.1
254.07120	8.6
264.56284	5.7
271.07224	18.3
279.09537	5.3
297.08783	15.1
306.57294	6.4
313.08154	40.7
314.08969	24.5
323.06519	48.0
341.07645	33.0
341.11374	6.7
359.08688	100.0
359.12830	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70864	2.0
59.69910	1.5
63.83645	1.4
65.03923	7.5
70.06571	1.7
71.01334	2.5
72.08141	3.8
82.06571	3.3
83.08627	2.6
84.04491	10.5
86.09707	2.4
92.05037	2.0
93.03387	2.7
93.05777	1.8
94.06541	3.9
100.11240	13.1
106.06567	5.6
108.04483	3.1
108.08127	3.1
116.04990	7.6
118.06522	2.6
120.04459	3.0
122.06014	4.0
130.05014	4.7
134.06003	59.9
136.07555	18.9
144.04410	12.4
146.05992	35.1
148.03932	46.0
152.07068	2.9
162.05513	7.3
164.07054	76.7
166.04979	15.4
172.03922	27.4
190.04979	100.0
190.40013	1.9
212.12865	3.7
229.15390	10.3
230.15764	4.2
255.11407	5.7
269.12796	2.5
279.11404	2.8
297.12265	11.2
299.10266	20.9
315.13361	2.6
345.34436	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
57.07065	1.2
65.03928	2.9
67.05486	2.6
69.03435	4.8
74.31654	0.7
77.27654	0.7
81.03415	4.0
81.07037	2.1
85.02882	2.6
85.06519	1.7
91.05473	100.0
93.07019	1.5
97.02876	1.4
99.04467	1.0
105.03397	5.5
132.08096	1.3
147.06522	1.0
164.85316	1.0
170.11203	1.1
173.76724	1.0
205.81659	1.0
239.20000	1.2
298.14401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31672	6.7
70.06602	8.3
71.81342	7.8
72.08170	11.6
85.02915	13.5
86.09754	9.3
106.75722	7.6
109.06544	9.6
116.96539	7.9
119.05312	8.0
128.91698	9.2
138.17886	10.0
138.47598	8.1
142.21960	8.2
219.19604	9.1
233.65132	10.7
335.31683	13.1
359.16650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31672	6.7
70.06602	8.3
71.81342	7.8
72.08170	11.6
85.02915	13.5
86.09754	9.3
106.75722	7.6
109.06544	9.6
116.96539	7.9
119.05312	8.0
128.91698	9.2
138.17886	10.0
138.47598	8.1
142.21960	8.2
219.19604	9.1
233.65132	10.7
335.31683	13.1
359.16650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64795	20.9
84.08152	45.5
85.08521	24.8
89.26108	22.5
97.21213	22.8
101.28423	30.8
109.92424	22.0
118.43992	24.4
204.80098	27.1
265.32684	31.1
299.12552	33.3
359.21915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2192
Annotation	Bengamide E
Peak:m/z	Relative Intensity
56.96557	13.4
58.37092	6.3
66.86568	6.3
68.43790	6.7
98.94524	8.4
150.65410	7.4
200.51985	8.3
216.45442	9.3
226.57234	8.3
264.22046	7.7
359.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27500	5.7
58.21629	6.0
76.06403	5.6
88.18867	5.2
95.04998	7.1
95.52154	5.3
104.47689	5.2
106.56733	5.8
193.27130	6.5
203.79001	5.9
229.03448	9.4
258.87952	7.5
265.64404	7.0
274.19421	6.4
298.65707	7.7
359.21875	100.0
361.73657	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72348	4.9
55.05498	8.1
56.72473	5.0
57.03434	57.6
57.07054	12.3
65.26182	5.7
67.05495	53.7
68.23255	5.6
69.07053	20.6
71.04982	91.2
74.20046	5.5
74.39899	5.8
75.04456	19.1
79.05485	18.1
81.07051	100.0
83.04935	8.8
83.08613	8.0
85.02890	9.4
85.06538	25.8
91.05487	16.6
91.71020	11.8
93.07033	21.5
93.96915	6.0
94.82494	5.9
95.05032	5.8
95.08600	84.2
96.51231	5.4
97.06547	8.5
98.04944	6.0
99.08088	12.3
103.03947	10.6
105.07030	19.7
107.08588	10.6
109.10154	12.0
121.10151	20.5
123.11669	9.1
135.11702	24.1
147.11694	19.0
161.13150	7.4
165.12723	11.1
201.14827	9.5
203.18188	7.8
216.49483	8.7
239.20056	78.5
313.23468	7.8
341.23282	6.7
359.24271	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	359.2578
Annotation	methoxydihydrosorgoleone
Peak:m/z	Relative Intensity
55.05510	12.3
67.05486	75.3
69.07053	14.2
79.05486	37.0
79.12574	11.5
81.07044	68.5
91.05480	35.9
93.07027	87.1
95.08598	59.7
105.07005	18.3
107.08604	36.9
109.06468	12.3
109.10149	28.3
114.47263	11.5
119.08624	15.1
121.10143	54.3
127.25732	12.1
133.10080	18.6
135.11705	26.7
149.13289	23.5
150.42967	11.4
163.14830	29.4
359.25739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	27.3
57.07064	29.8
70.06573	25.2
81.07043	53.2
83.08620	25.8
88.07624	29.6
93.07037	46.5
95.08597	88.2
107.08619	37.5
109.10150	100.0
119.08557	31.3
121.10165	36.9
127.11224	28.3
131.08524	23.8
133.10129	36.1
145.75682	24.1
147.11775	36.1
147.54353	24.0
177.08922	32.3
203.18002	29.1
215.86983	25.8
259.08185	25.6
299.89771	29.8
305.68149	24.8
341.28564	27.6
358.36972	49.0
359.29526	50.8
359.37125	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	23.6
57.07061	100.0
67.05486	33.5
69.11036	19.0
71.08620	63.7
74.52243	21.8
75.65459	18.6
81.07056	53.9
83.08633	30.3
85.10179	30.2
91.71077	47.9
95.08610	54.4
97.10158	34.2
103.39392	24.8
177.08864	67.4
178.44426	21.7
186.48389	25.2
197.91458	24.9
207.09991	26.6
207.46219	24.3
255.60779	24.7
277.06314	26.1
341.30511	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	359.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93081	10.2
57.07065	73.7
58.51768	9.4
71.08615	61.4
73.88055	10.4
85.10177	30.8
89.06013	100.0
107.07047	81.7
127.38934	11.7
130.08669	25.6
177.08818	22.1
250.57100	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88528	7.1
54.35882	7.9
64.79534	6.7
69.03422	21.0
69.09291	7.0
70.68568	7.3
72.17783	9.0
78.82254	6.7
80.82373	8.8
85.02895	47.5
91.05475	19.3
97.02911	10.4
107.04945	89.4
107.78609	9.4
113.20663	7.7
117.05738	10.6
118.06674	10.5
119.04972	28.5
121.06492	27.0
125.79836	7.8
127.03904	34.3
143.07353	15.1
144.08098	19.5
145.05064	26.4
146.06009	16.1
156.08099	17.7
160.07571	16.3
171.06815	21.5
180.08777	9.9
184.07581	14.3
185.67392	10.1
186.09213	10.4
202.08621	14.1
211.10017	22.9
222.06714	15.2
235.09930	19.3
236.10698	9.9
239.09448	25.7
250.08710	12.1
250.12151	50.9
264.10251	20.2
268.13370	33.0
278.11743	100.0
280.13385	16.8
286.66739	9.6
296.12729	85.3
314.13907	13.1
324.12292	89.5
342.13312	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06368	2.1
52.51510	2.2
55.01860	4.1
62.90730	2.7
70.06569	2.5
71.20823	2.6
85.02894	29.3
91.05472	43.6
91.71689	3.0
105.07020	3.2
106.06558	6.0
107.07336	34.5
109.63554	3.1
118.06539	5.6
119.04958	16.9
120.08104	12.9
123.04423	100.0
130.06540	16.3
132.08092	4.6
137.05966	59.7
143.07320	7.6
144.08096	18.1
158.09668	26.0
160.07596	13.4
162.09099	6.4
167.08574	2.9
168.08083	10.4
172.07599	6.0
173.08371	10.3
174.09172	12.4
186.09135	37.4
229.11032	6.1
230.11781	13.9
232.09674	9.6
233.67372	3.2
268.13269	17.9
296.07623	4.0
296.12796	94.4
314.13818	93.1
342.13275	35.5
342.17130	3.4
353.10837	3.1
360.14377	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Lutessine
Peak:m/z	Relative Intensity
50.34405	1.5
51.16915	1.1
51.65137	1.4
56.05035	1.2
59.04985	1.2
65.51904	1.3
75.25875	1.4
84.04481	12.3
85.02891	1.6
85.05338	1.4
91.05454	4.2
93.07040	1.7
95.04949	2.1
103.05473	3.3
105.07023	2.0
106.06576	1.4
107.04940	6.6
110.21610	1.8
117.05768	1.6
118.47356	1.3
119.04977	2.3
119.07314	2.3
120.08091	2.4
121.06503	11.9
130.06610	1.5
132.08102	7.6
136.03931	2.9
137.04720	6.2
137.05894	1.8
147.04358	7.8
149.05948	7.9
150.05499	3.9
158.09712	1.9
162.05484	4.7
163.06149	2.0
164.07071	4.0
165.05472	3.7
166.08533	2.3
176.07047	2.9
177.04663	1.7
180.10130	2.0
193.07333	13.3
194.08089	3.8
195.08913	9.3
206.08112	2.6
208.09665	14.8
226.12233	18.0
252.13818	2.9
265.07373	3.0
266.08154	4.5
278.07803	3.1
280.09586	2.1
291.09244	2.1
298.14322	3.4
306.11050	2.2
314.13876	4.1
324.12268	9.7
342.09137	2.5
342.13284	40.4
360.14352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	1.1
84.04468	1.5
90.70965	1.2
91.05479	4.7
93.07021	6.7
95.04964	2.8
102.83441	1.3
103.05465	4.5
104.04983	6.9
105.07017	4.4
106.06520	3.3
107.04954	23.6
107.07320	3.4
115.05431	3.3
117.05750	9.1
118.06526	3.1
119.07309	14.0
120.08121	6.3
121.05605	2.2
121.06490	44.0
121.07314	2.6
130.06523	6.1
132.08089	36.2
135.12091	1.3
135.58414	1.3
137.13698	1.4
144.08090	4.0
152.52710	1.2
153.43495	1.5
156.08174	1.5
158.09634	8.6
204.10202	2.3
208.11168	2.3
224.10619	8.9
226.12257	100.0
252.13799	17.9
253.50027	1.4
270.14789	5.8
298.14334	26.4
298.17505	1.8
316.74988	1.5
342.13370	2.1
360.14151	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.1
56.05011	8.9
57.07061	6.2
58.02946	7.3
60.04507	8.5
67.05490	10.0
69.07062	7.7
70.06580	3.4
71.28180	2.6
71.30421	2.5
72.04507	99.6
80.05030	2.5
81.07043	11.1
83.08614	3.1
85.02891	8.9
86.06026	3.5
91.70986	3.4
95.08589	6.5
96.04504	4.1
100.03976	100.0
100.04623	5.9
102.05547	8.7
109.10190	3.5
111.11709	3.6
114.05550	4.4
127.03976	4.3
130.05035	10.1
147.97188	3.0
148.16068	3.1
158.86432	3.5
169.76218	3.3
198.22226	3.3
270.24246	5.0
278.24646	5.3
296.25955	11.5
306.23929	3.6
342.26389	11.5
360.23016	4.0
360.27362	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95705	4.7
57.07050	24.3
58.06584	6.6
71.08603	9.4
71.80967	5.8
85.02866	9.4
95.08587	11.6
105.03714	70.3
106.86857	5.2
122.06359	34.6
131.08391	6.0
154.80020	6.1
207.20432	6.3
212.20729	6.1
222.01514	6.4
244.00880	6.5
296.29440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68584	8.9
55.05515	14.8
57.07071	10.9
58.06625	9.7
58.83010	7.6
60.04512	100.0
60.04738	7.9
67.05493	15.0
69.07066	22.7
69.46755	9.7
71.08622	11.0
75.89278	9.9
76.78359	10.2
81.07055	19.4
82.06593	9.8
83.08630	10.3
83.47890	10.3
84.17621	9.4
85.02911	17.7
86.06058	13.9
86.83347	8.5
86.96401	8.8
91.71048	12.1
93.07058	15.5
95.08603	16.3
102.91904	9.6
116.56931	9.3
139.03427	11.0
198.65115	11.8
202.48203	11.8
217.23019	15.7
264.27048	37.8
268.99051	12.1
282.28030	37.6
324.29080	14.4
342.30124	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3258
Annotation	Pachyaximine A
Peak:m/z	Relative Intensity
51.29014	3.4
55.53688	3.2
76.16782	3.5
77.30357	3.2
81.81243	3.7
91.05475	100.0
91.71577	6.9
95.96312	3.5
102.30493	3.4
297.48026	4.5
317.42999	3.9
360.32550	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3259
Annotation	Pachyaximine A
Peak:m/z	Relative Intensity
55.05512	0.8
57.06836	0.7
57.07067	7.6
57.50396	0.5
67.05492	1.8
69.07056	1.8
71.08624	4.6
79.05474	2.7
81.07047	2.0
83.08625	1.1
85.10174	2.4
95.04964	1.5
95.08598	2.2
97.10163	1.0
99.53213	0.6
103.05459	2.8
105.07023	100.0
106.07336	0.8
122.09661	25.6
124.24862	0.7
137.57391	0.6
146.09642	5.6
147.66827	0.6
182.35104	0.6
243.63448	0.6
360.32571	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	361.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44704	1.5
65.89700	1.6
66.14890	1.4
67.67846	1.4
67.81141	1.7
72.02113	1.7
97.80131	1.8
103.05461	37.5
122.03624	2.8
127.19805	1.8
131.04922	95.6
137.05975	26.6
148.05206	3.8
149.05978	3.7
151.03868	4.8
163.07524	77.9
176.04732	1.9
191.07016	94.6
219.06506	100.0
250.05980	2.0
265.08566	5.6
343.11667	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	361.1368
Annotation	Austradiol acetate
Peak:m/z	Relative Intensity
51.92610	1.2
53.30769	1.1
58.11053	1.2
68.07426	1.2
70.06587	2.3
72.08121	1.5
73.00684	1.1
80.58387	1.1
84.08124	2.7
85.02869	1.8
86.09663	1.3
88.35307	1.4
97.02889	1.6
111.34132	1.2
128.02071	1.2
132.04187	7.4
174.41045	1.3
175.06042	2.9
177.87343	1.4
179.05545	2.2
191.05522	26.6
192.06316	5.2
204.06265	3.0
266.65311	1.3
301.11639	6.3
343.12521	9.6
361.13675	100.0
362.13654	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	361.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75777	5.7
55.71326	6.4
56.96591	6.3
60.04513	7.8
70.06582	23.2
72.08144	10.4
84.08131	27.9
85.02890	9.8
85.07656	38.6
86.09701	100.0
91.05482	9.7
107.04946	51.2
108.05305	9.6
111.48064	7.5
127.03993	6.8
129.10196	8.5
130.08740	6.3
137.06013	30.2
159.13370	7.0
163.03931	19.5
181.04948	27.0
195.09209	16.0
209.10770	11.3
211.05534	14.7
215.13736	7.3
216.41583	7.2
224.09425	11.3
229.06506	17.6
240.13307	8.5
255.04623	7.8
278.06140	10.2
278.63873	8.5
285.61096	7.0
296.06985	10.2
299.09308	9.9
329.11273	58.9
344.11264	16.8
361.13803	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	361.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
57.03412	4.6
58.48447	3.6
65.03928	7.6
71.01347	23.9
73.53931	4.1
79.05499	6.7
80.04995	6.3
82.06571	18.0
85.02893	6.4
86.09678	6.3
91.05437	10.8
93.07041	37.5
94.06563	4.7
95.04978	11.2
103.05450	9.6
104.74908	4.7
107.04937	10.5
108.04451	6.2
110.05977	4.9
118.06558	10.6
120.08097	42.7
127.03915	6.0
136.07561	9.0
144.04416	5.4
146.06001	63.9
148.03946	33.8
148.07571	100.0
150.05539	7.1
150.09187	9.9
152.04904	4.6
155.99426	4.6
165.74693	4.8
166.04947	10.9
166.08620	41.9
168.50793	4.4
170.23543	5.3
172.03864	9.5
189.10291	7.2
190.04999	29.2
210.48839	5.2
229.13414	19.3
253.13252	6.9
265.71436	5.3
281.12854	80.2
283.10843	28.4
299.13824	66.7
325.11600	26.9
343.13089	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	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20533	7.0
54.86341	7.4
56.83150	7.1
56.96569	10.7
57.75874	6.6
58.24738	6.9
66.13681	6.5
70.06573	20.8
71.55610	7.0
72.08143	7.9
84.08150	10.9
85.02894	13.1
86.09689	46.5
100.07626	23.0
102.77213	8.5
114.73711	7.7
120.08092	26.7
129.27197	8.5
130.77660	8.4
138.69225	8.6
165.06898	12.3
166.08740	11.8
179.08598	19.1
183.08052	31.8
183.30585	8.7
188.05984	10.9
196.06410	96.9
203.56992	8.6
207.08022	62.8
210.09293	15.0
211.07561	30.5
235.07573	100.0
237.09065	10.2
239.06969	58.3
252.10208	59.6
263.07059	13.9
280.09760	13.5
281.08170	37.7
285.54819	10.3
297.12387	31.4
298.10751	69.3
315.13669	9.2
326.10196	12.7
343.12823	54.6
361.14154	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	361.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57156	0.5
61.44102	0.6
69.63914	0.5
70.06571	1.3
83.78220	0.6
85.02905	0.8
87.87501	0.6
88.64539	0.6
91.05459	1.3
91.75367	0.6
103.05467	1.5
110.41429	0.6
118.23997	0.6
119.04900	0.6
120.08083	1.2
121.06496	14.1
123.04397	3.3
131.04909	2.8
133.52339	0.6
137.05971	18.3
147.05084	0.5
149.05959	10.7
166.08624	100.0
166.12276	2.2
167.09067	1.7
196.06398	1.5
312.92636	0.7
316.40958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74362	6.2
70.06590	10.9
74.11383	5.5
82.35088	5.4
84.04495	6.0
84.08120	10.8
86.09695	7.6
88.25876	6.4
89.18528	5.7
96.01586	5.6
243.05093	6.3
331.18802	7.8
361.14606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74607	38.0
76.34341	46.0
76.89491	51.2
77.12022	43.3
81.07053	65.7
88.21529	40.0
95.08703	53.8
119.01897	55.9
207.58319	52.1
216.39374	55.3
249.02367	49.0
250.88347	49.6
272.04056	100.0
281.36139	52.8
290.05417	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	48.2
57.73463	26.0
67.16595	26.4
76.96613	26.8
105.03239	26.8
118.47718	32.5
119.01974	35.0
129.01822	100.0
129.26576	34.8
180.36783	33.8
211.47331	33.9
272.04065	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1982
Annotation	Arg Trp
Peak:m/z	Relative Intensity
63.23155	2.2
86.34138	2.6
170.32382	4.2
177.43379	2.7
195.30554	3.0
331.87469	3.1
342.02988	3.1
361.19800	100.0
361.23529	5.8
379.85861	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	361.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96141	2.1
59.54891	2.4
70.44498	2.6
230.75349	2.9
276.80573	2.7
291.92276	2.9
361.19781	100.0
361.23459	9.5
383.79681	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	361.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75953	0.7
57.07070	6.8
57.07298	1.2
58.69761	0.7
60.13373	0.7
68.99779	12.5
70.14812	0.9
87.00807	2.7
91.71710	0.8
95.08627	1.2
106.38158	0.9
111.00779	5.5
129.01828	100.0
139.00266	6.5
140.27438	0.8
157.01291	4.2
161.26573	0.8
170.04402	1.5
185.08083	46.3
203.08904	1.1
259.15598	1.4
327.03760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35358	2.0
52.16320	2.0
53.69646	2.0
54.38324	2.0
56.85941	2.1
57.68705	1.9
72.11040	2.0
73.00275	2.2
75.90458	2.4
85.97619	2.3
101.71468	1.9
126.10709	2.5
295.47821	3.0
301.82690	3.1
307.01614	3.2
328.53540	3.5
356.84686	2.7
361.23474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92615	9.1
65.39550	10.6
71.29341	11.0
84.45525	10.2
91.71735	20.7
95.08582	16.0
160.89696	11.8
184.71729	14.5
221.65022	13.3
234.88838	14.9
323.10428	15.3
343.22464	24.9
361.23572	100.0
364.74551	15.3
381.96011	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	361.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62970	7.3
56.96589	7.3
62.63227	8.7
69.07092	8.5
69.78156	7.8
81.07076	10.4
89.83821	8.6
94.53385	7.7
95.97150	8.8
103.31586	8.8
104.39915	8.2
126.53465	9.1
129.26120	8.5
177.82182	11.7
272.97971	10.1
276.26810	10.1
297.79050	9.5
307.23840	10.4
315.10913	9.9
331.99451	10.5
343.22476	100.0
346.38394	10.3
361.23416	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72839	5.9
51.48053	5.0
51.74685	7.6
53.03938	7.2
55.05498	17.1
57.03430	7.8
57.07077	12.2
62.61697	6.3
65.60599	6.4
67.05495	54.4
69.07056	9.5
79.05486	36.5
79.90900	5.9
81.07053	47.6
81.46267	5.7
83.04951	12.1
83.69614	6.2
84.40372	6.5
84.76921	7.4
91.05461	100.0
93.07048	39.1
95.04967	23.6
95.08624	38.1
97.06496	7.2
105.07021	97.9
107.08588	33.0
109.06503	14.1
111.04414	9.5
114.64377	6.6
114.65321	6.5
115.03930	11.2
116.98524	9.0
117.06998	63.9
119.08578	63.8
121.10146	12.5
124.38136	7.3
126.14819	7.3
127.03887	10.4
127.06422	7.4
128.06209	12.4
129.06998	32.1
131.08563	61.7
133.10117	47.2
141.06943	12.3
141.23277	7.0
142.07845	8.7
143.08580	29.7
145.10120	44.3
147.08145	9.6
147.11678	18.2
150.91389	8.3
155.08562	21.7
157.10147	25.0
159.11703	37.3
161.13272	24.5
163.09694	7.8
169.08592	8.1
169.10054	19.7
171.11644	27.5
173.13219	37.1
175.14790	9.6
181.10121	12.2
183.11696	10.5
185.13280	11.9
186.72575	7.9
195.11737	15.5
199.15012	9.4
209.13281	12.1
213.16380	23.0
237.16464	13.3
265.19513	21.6
283.20688	9.5
311.20065	18.2
329.21072	29.7
331.15527	8.4
361.23645	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	361.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	5.3
54.92067	3.4
55.05506	25.7
56.05032	3.4
57.03431	63.3
57.07066	24.3
66.93534	3.6
67.05500	59.1
69.07059	37.5
71.04987	32.5
75.04484	25.8
78.95991	3.9
79.05468	20.2
81.07048	92.6
83.04955	4.6
83.08613	27.1
85.06538	16.9
91.05454	5.1
91.71268	8.6
93.07043	36.0
95.08592	72.6
97.10150	11.3
99.08094	9.7
103.03930	21.4
105.07036	5.3
107.08610	19.2
107.94839	4.2
109.10142	36.4
112.08427	4.6
121.10140	34.0
123.11712	20.1
135.11681	21.8
137.13254	6.9
146.96379	4.3
149.13251	17.5
163.14792	5.8
205.19591	20.8
223.20650	10.1
224.60065	4.9
225.73921	4.5
241.21599	100.0
300.99390	4.3
301.45560	4.7
325.23590	5.5
343.24771	6.7
359.85632	5.0
374.83817	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	362.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38068	4.6
61.01126	5.6
64.71024	5.1
65.00616	10.1
66.67463	5.6
77.03937	5.8
91.05466	11.4
91.71082	12.8
93.07023	10.6
99.72940	7.1
107.04935	62.1
114.55204	5.9
118.06578	9.7
121.06496	51.9
130.06522	28.9
132.08099	8.6
136.03598	6.3
138.10034	6.4
144.08075	9.4
149.02679	100.0
158.09698	18.4
160.42770	7.5
179.08524	8.9
201.44231	6.1
224.10675	66.3
225.24136	7.8
226.12312	17.5
252.13843	63.9
270.11243	55.5
362.14178	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15310	2.9
61.02884	3.9
64.75773	3.7
66.63110	3.8
69.03416	11.0
70.06576	11.3
72.08149	5.9
81.03413	4.3
84.08163	4.8
85.02901	55.8
86.09701	5.6
93.33557	4.2
97.02886	14.7
99.04465	4.4
117.41705	4.2
122.24965	4.0
127.03928	6.6
137.05966	100.0
140.86731	5.0
145.04967	10.6
183.06483	23.2
210.47939	4.2
243.38492	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	362.1595
Annotation	(+)-Galwesine
Peak:m/z	Relative Intensity
55.71153	1.7
55.85229	1.8
57.03429	2.0
69.03408	1.9
70.06586	10.9
70.99038	1.8
72.08157	4.0
82.94008	2.6
84.04498	7.4
84.08144	6.8
84.38542	2.3
84.83055	2.1
85.02884	3.4
86.09716	8.4
91.05494	5.2
95.04984	2.8
100.71893	2.0
107.04950	100.0
109.06396	2.4
111.40076	2.5
118.17664	2.2
121.06525	4.8
130.05003	2.8
136.07559	3.5
146.09666	4.7
148.06078	3.6
152.16302	2.2
174.09186	8.2
192.10283	4.1
210.11241	5.4
236.14981	4.2
256.11768	11.3
280.13828	2.3
362.15945	56.3
389.26004	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	362.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26198	16.7
56.96550	100.0
65.68925	22.1
65.69302	16.6
69.07040	19.3
74.71816	21.5
76.70356	21.0
78.99259	24.3
79.05494	21.8
80.87224	18.8
82.75323	21.3
89.50831	20.5
97.51218	22.5
97.99135	21.2
106.54929	20.5
155.03790	23.8
170.93910	24.1
232.62045	26.4
241.07442	26.8
257.06943	32.2
262.07581	38.1
264.09024	66.0
274.57895	25.2
280.08521	61.1
321.82013	25.6
362.16269	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	362.1749
Annotation	Buxifoliadine-D
Peak:m/z	Relative Intensity
65.12887	3.9
79.05505	6.0
91.05468	13.4
93.07030	13.7
95.04961	6.0
103.05453	45.8
105.07021	13.1
107.04945	66.0
107.07346	14.0
118.06547	10.8
121.06497	54.0
130.06526	9.3
131.03987	3.6
131.04953	13.3
132.08070	8.2
144.08099	10.4
194.09637	6.5
196.11359	4.3
198.41217	5.1
208.11238	7.7
209.12128	6.9
222.12697	20.2
224.10677	4.6
253.47902	4.1
302.64120	4.0
316.16934	100.0
316.20386	6.0
330.87952	4.1
334.50586	4.2
362.17487	44.8
362.32538	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	362.175
Annotation	Buxifoliadine-D
Peak:m/z	Relative Intensity
51.55680	1.6
53.08947	1.5
55.57373	1.4
57.07050	3.8
59.04039	1.4
70.06570	9.9
85.16801	1.6
85.34037	1.6
88.07628	4.6
91.05473	6.9
93.07029	6.6
95.41901	1.9
103.05478	2.5
104.04987	8.9
104.48611	1.9
105.07030	3.3
106.06538	2.6
107.04980	12.8
108.83997	1.7
114.09138	4.8
115.05482	4.1
117.05758	8.1
118.06555	3.1
119.07338	14.3
120.08102	8.0
121.06503	48.5
124.27718	1.8
130.06525	2.3
132.08095	44.7
132.10187	15.0
133.08850	3.9
137.05969	6.8
144.08043	10.8
208.72551	2.6
224.34344	2.0
226.12257	100.0
244.44759	2.0
260.55997	2.0
268.13318	2.7
292.53857	1.9
341.52957	2.2
347.65329	1.9
362.17471	85.7
362.32587	37.8
373.25562	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1962
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
51.06649	3.6
54.79344	3.7
55.05504	5.7
59.85288	4.2
70.06578	6.4
72.08155	4.6
77.47152	4.5
81.07044	5.4
83.78487	4.5
84.04473	6.0
89.19083	4.6
91.05475	7.5
93.07035	5.1
95.08595	5.2
103.05457	16.1
105.07021	7.2
117.07011	16.3
119.08546	4.9
119.11587	4.9
121.10174	9.6
123.04408	16.0
131.04900	24.6
137.06009	17.6
143.98215	5.2
145.06516	21.2
147.04440	7.7
149.05965	70.8
159.08084	5.7
163.07547	20.7
175.07520	10.2
295.02646	5.0
304.97632	5.5
362.19559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27368	1.1
60.46508	1.1
62.52777	1.0
69.03415	2.3
69.07059	1.4
70.06588	2.9
72.08182	1.5
79.05475	1.2
81.07049	3.1
84.08110	1.9
85.02906	8.5
85.43756	1.1
86.09715	3.2
91.05471	2.8
93.07030	1.6
97.02877	3.2
103.05471	1.5
105.07027	11.1
110.05962	1.5
119.08568	3.7
121.10136	100.0
123.08031	1.4
123.11692	2.3
127.03822	2.1
131.04903	3.0
147.11676	6.4
149.05954	3.4
163.07622	1.4
164.07178	1.4
165.12738	17.8
183.13753	14.0
185.57643	1.4
249.36230	1.6
362.19598	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	362.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
57.07051	0.5
67.05499	1.9
69.07051	1.8
70.06580	4.7
71.08624	5.8
72.08147	100.0
78.30009	0.5
79.05503	0.6
80.36089	0.5
81.07053	3.2
91.05508	0.8
93.07046	1.8
95.04977	1.0
95.08588	3.8
98.06051	9.8
98.79292	0.6
99.08117	1.8
104.99316	0.6
107.08604	1.1
109.06525	2.0
121.10090	0.5
126.09129	1.4
133.10162	0.7
140.10773	0.7
158.22736	0.7
165.12764	2.3
175.41908	0.7
182.15396	0.7
190.08195	0.5
190.93716	0.5
194.15353	0.6
217.43005	0.7
224.72052	0.7
234.90288	0.9
238.17958	0.8
264.23178	5.3
291.23285	1.6
362.30505	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94566	1.2
55.05511	2.1
57.07063	4.4
59.88898	1.3
67.05485	2.7
69.07034	2.2
73.88763	1.6
75.04243	1.4
81.07041	3.3
83.91795	1.4
84.21125	1.2
85.23709	1.4
91.05473	6.7
91.71105	1.8
93.07053	1.9
95.08565	3.2
102.08874	1.7
103.05468	22.3
103.53494	1.7
105.07008	4.0
115.05430	4.1
117.07006	16.3
123.04435	6.3
131.04929	48.9
131.08582	8.2
132.08904	1.7
133.06525	3.0
137.05952	10.8
137.44377	1.8
140.19684	1.7
145.06482	26.8
149.05971	100.0
151.07532	46.0
159.08047	12.8
163.07542	40.8
177.09116	11.6
196.57471	1.8
212.40135	1.7
221.73654	1.9
238.35306	2.1
345.27847	10.8
362.23621	3.1
362.30460	79.8
363.31424	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.1
57.07070	8.1
58.06579	1.5
58.12223	1.0
58.93719	1.0
63.27346	1.1
70.06242	1.9
70.06582	27.7
71.08607	3.7
72.08129	1.6
84.08132	3.4
85.10166	1.6
86.09725	1.8
88.07623	22.6
91.05473	1.6
93.07032	2.6
102.09163	3.2
103.05439	1.6
105.06997	1.4
107.04935	2.8
110.19903	1.4
114.09150	11.5
117.05727	3.2
118.08614	3.0
119.07322	2.7
121.06504	10.4
121.10061	1.6
130.08583	1.3
132.08080	10.4
132.10207	40.2
137.05936	2.3
144.08090	2.2
154.46788	1.2
173.85451	1.3
176.12828	5.7
194.13882	7.9
226.12242	16.5
252.55357	1.5
256.26389	5.7
274.27274	4.2
362.17557	14.5
362.32617	100.0
363.33081	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17459	2.3
51.94860	2.3
57.07061	8.8
58.06581	3.6
70.06584	34.2
71.08639	2.9
81.37052	2.3
84.08136	3.9
86.09671	4.0
88.07625	10.1
90.36826	2.2
102.09189	2.8
102.43194	2.3
132.10156	14.3
146.11777	13.2
256.26328	13.7
289.57211	2.8
300.28946	42.2
362.32602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33993	1.4
56.05026	7.5
56.96572	1.2
57.07062	4.7
58.06594	8.9
60.04511	3.5
66.75326	1.6
67.66827	1.2
69.00297	1.4
70.94658	1.4
71.08612	2.3
72.08152	4.6
74.06072	4.9
86.06059	6.6
88.07622	50.1
88.08168	2.6
94.42787	1.6
104.07092	4.8
132.10201	10.4
147.03032	1.6
162.11206	2.8
166.10774	3.1
190.93248	1.9
212.75772	1.6
270.27893	30.1
271.28461	1.7
278.68802	1.8
306.38214	1.9
314.30414	9.0
337.90833	1.8
343.03833	1.7
348.15164	1.8
362.32626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95387	1.6
70.06577	1.8
71.01361	3.1
89.02405	2.0
106.06527	2.6
122.11008	1.8
129.07025	2.4
133.52385	2.3
134.05998	4.0
156.08035	3.7
160.03867	2.2
161.04674	2.5
162.05504	3.0
173.10762	4.4
174.09203	2.2
178.04994	12.6
183.09106	2.9
184.07550	5.4
185.07069	2.7
186.07784	3.0
187.04982	3.2
197.07100	4.6
201.10252	13.5
203.68556	2.1
211.08667	8.3
212.06966	4.8
225.06569	2.5
225.10251	5.8
229.09711	51.3
235.08597	2.3
239.08136	4.7
240.06708	3.1
247.10779	5.8
253.06038	5.0
253.09663	5.7
255.11220	2.5
257.09207	34.3
267.07596	3.8
275.10233	18.2
281.09216	10.1
283.07523	2.2
283.10852	5.8
285.08636	7.3
289.08176	2.7
298.88495	2.2
299.10309	2.5
301.11743	5.1
303.09698	6.1
309.08685	6.0
327.09732	4.8
345.10800	31.7
363.07275	5.3
363.11847	100.0
364.12143	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29285	0.8
54.52629	0.8
68.05028	1.2
69.03429	2.3
70.06596	1.7
71.01355	3.8
71.04990	2.3
73.26963	0.8
84.08144	1.1
89.02369	2.3
95.04963	1.0
96.04507	1.4
98.06054	2.0
100.13560	0.9
104.04987	1.2
106.06559	2.0
107.04994	1.2
114.88428	0.9
117.05769	0.9
118.06590	0.9
122.06070	1.4
129.07019	4.4
130.06657	1.2
131.06116	0.9
132.08095	1.3
134.06038	4.0
143.07298	1.4
144.08070	1.1
146.06113	1.2
146.09636	2.0
148.03922	1.1
156.08051	5.6
158.08441	1.4
158.09612	2.1
159.05550	1.3
159.09149	2.2
160.03923	5.1
160.07625	2.4
161.04721	3.4
161.96355	0.9
162.05505	4.4
163.30589	1.0
167.07291	1.0
168.06793	1.6
168.08153	1.4
170.06073	1.2
173.07124	2.0
173.10760	5.6
174.09203	2.2
178.04996	15.6
179.05908	1.2
180.08096	1.0
182.09695	1.1
183.09209	3.4
184.07570	10.0
186.07776	2.0
186.09181	2.6
187.04961	4.6
187.08588	2.1
197.07132	3.4
197.10712	1.9
200.09438	1.1
201.06552	1.5
201.10225	18.1
201.11978	1.3
204.10210	1.2
205.06154	2.8
205.09737	1.7
208.99930	1.2
210.09244	1.2
211.08618	6.7
212.07161	5.2
213.06686	2.3
213.10353	2.2
219.07666	2.7
224.09505	1.1
225.06621	3.3
225.10213	7.9
227.11754	2.1
229.09720	68.3
230.08055	2.9
231.11198	1.2
235.08640	2.0
237.10179	1.5
239.08107	7.9
240.06548	1.8
243.07774	1.9
247.10832	6.0
253.06032	4.1
253.09718	8.4
255.11267	3.6
257.09195	38.5
259.10837	2.2
263.08200	3.7
266.07922	1.4
267.07687	2.8
271.07150	4.5
273.59772	1.3
275.10245	21.3
281.09171	15.1
283.10806	6.9
285.08652	11.3
299.10211	4.1
301.11768	3.5
303.09750	9.6
309.08698	9.1
317.11261	2.5
327.09781	9.8
345.10800	45.2
363.11835	100.0
364.12402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02177	1.7
66.64175	1.9
105.03375	3.9
114.35100	1.8
121.61895	2.2
134.66353	2.1
147.52211	2.1
165.06905	2.2
193.03462	26.5
195.08089	3.0
216.05051	14.9
239.06644	9.7
253.07191	3.1
263.05646	9.8
273.09604	4.6
281.06555	54.5
281.09503	4.0
282.06979	2.4
286.06934	2.4
296.11298	6.3
299.07678	27.2
304.08139	68.1
305.08539	4.6
317.08655	30.2
319.12762	2.7
322.09210	61.8
323.09579	4.3
327.09735	3.7
327.44559	2.2
334.76831	2.3
340.10263	27.3
341.10425	3.8
345.10797	100.0
346.11075	6.5
363.11780	20.4
363.25018	8.8
386.13559	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	363.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41566	4.3
56.96548	10.2
57.07062	8.6
70.06591	27.6
75.96896	4.6
88.07617	21.7
90.93497	5.2
95.06546	4.6
109.80636	4.9
113.05975	4.8
114.09148	10.3
128.68980	4.6
132.10196	42.4
176.12903	5.7
179.35907	4.8
194.13834	9.0
252.06689	9.0
256.26208	8.5
303.12509	9.2
321.13620	33.4
344.15262	100.0
344.19220	9.5
345.15759	8.3
362.32556	91.7
363.12805	11.0
363.32916	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99165	48.2
60.88118	62.6
67.83452	57.8
72.49952	58.2
80.73175	62.6
81.07076	81.2
88.33305	70.0
89.06063	75.4
91.05501	95.4
93.07030	100.0
105.07027	73.7
109.10199	85.8
135.11748	76.6
162.57079	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	37.5
55.05492	27.4
56.91883	21.4
57.03426	21.1
57.43172	22.2
57.65011	18.2
59.63269	17.5
67.05488	61.9
79.05478	39.8
80.55321	20.5
81.07044	100.0
91.05476	62.0
93.07050	94.7
95.04942	30.3
95.08612	35.8
105.07024	43.3
107.08571	55.6
109.05159	20.5
111.04414	55.5
119.88703	24.9
122.68952	24.4
123.08063	37.0
127.03930	80.9
129.07030	28.1
140.37854	24.5
189.12778	37.2
197.11754	62.6
235.13390	30.4
253.14336	86.9
281.13889	32.6
362.32916	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	37.5
55.05492	27.4
56.91883	21.4
57.03426	21.1
57.43172	22.2
57.65011	18.2
59.63269	17.5
67.05488	61.9
79.05478	39.8
80.55321	20.5
81.07044	100.0
91.05476	62.0
93.07050	94.7
95.04942	30.3
95.08612	35.8
105.07024	43.3
107.08571	55.6
109.05159	20.5
111.04414	55.5
119.88703	24.9
122.68952	24.4
123.08063	37.0
127.03930	80.9
129.07030	28.1
140.37854	24.5
189.12778	37.2
197.11754	62.6
235.13390	30.4
253.14336	86.9
281.13889	32.6
362.32916	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92809	4.2
53.86703	4.0
62.26987	4.6
62.92893	5.6
73.93563	4.1
75.43078	4.8
79.81580	4.7
112.22918	4.5
120.82453	5.0
169.23213	5.1
171.14893	5.2
196.49265	5.9
228.07680	5.7
272.54727	5.2
343.72745	6.1
363.20993	11.7
363.25070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2528
Annotation	Methyl ent-16-methoxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
55.05500	27.2
57.03413	8.9
57.07053	16.2
67.05490	71.2
69.07066	16.8
78.11299	7.9
79.05486	50.3
81.03473	6.0
81.07044	92.6
83.08591	7.1
85.06530	7.4
89.06003	7.9
89.81496	8.8
91.05476	89.6
93.07037	100.0
95.04978	21.0
95.08601	65.5
105.07037	58.1
107.08569	56.7
109.06488	23.8
109.10157	31.7
115.03902	14.4
117.07024	24.8
119.08585	59.8
121.10140	48.9
123.11705	9.8
127.03918	10.2
129.07011	9.3
131.08528	43.4
133.10095	40.9
135.08031	9.2
135.11702	26.8
141.05528	8.5
141.06950	10.8
143.08537	24.1
143.10910	7.6
145.10120	34.7
147.11708	23.7
149.13269	23.5
151.07492	9.0
153.09077	10.3
155.08553	8.0
157.10100	14.4
159.11691	22.6
161.09526	7.9
161.13306	39.4
163.14833	28.5
169.08701	12.1
169.10092	12.7
171.11745	20.9
173.13176	19.2
175.14850	34.5
183.11678	21.6
197.13344	11.1
211.14836	13.8
215.17976	18.3
217.43564	8.5
239.18015	22.0
267.21158	27.3
271.20691	8.8
273.98172	8.2
285.22070	11.0
295.20538	15.7
313.21548	49.7
327.23352	12.5
331.22711	45.2
345.14096	8.7
347.42715	8.0
363.25159	62.3
363.28943	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	363.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75081	2.1
53.03944	3.1
55.01854	2.6
55.05507	14.0
55.05706	2.0
57.03414	8.7
57.07069	4.0
57.40673	2.0
58.78103	2.3
65.03938	2.5
65.67980	2.2
67.05499	50.8
69.03412	2.7
69.07055	12.7
71.04963	3.2
71.56323	2.3
79.05483	66.5
81.07053	44.2
83.08619	3.8
83.18089	2.7
85.96294	2.2
88.49261	2.6
91.05479	53.2
91.71619	3.3
93.07032	100.0
95.04964	16.8
95.08588	29.6
97.02895	3.9
97.06517	3.6
97.10193	3.7
103.05460	5.5
104.63831	2.6
105.07021	35.1
107.08583	61.5
108.08898	2.8
109.06505	5.5
109.10137	12.8
111.04416	3.5
111.08099	4.1
115.03914	9.9
117.07015	12.3
118.06562	3.9
119.07780	4.7
119.08574	36.6
121.10133	51.8
123.04391	3.6
123.11688	5.3
127.03913	10.2
129.07037	5.3
131.04977	2.8
131.08611	16.0
132.05449	2.5
133.10104	26.3
135.11688	39.9
141.06976	3.2
143.08597	6.5
145.06483	2.9
145.10107	19.2
147.11646	20.2
149.05998	11.6
149.13271	18.5
151.07515	8.3
157.10094	5.1
159.11694	15.8
161.13202	13.0
163.07550	6.0
163.14824	4.5
165.73447	2.9
169.10085	5.4
171.11783	8.2
172.68648	3.5
173.13374	4.0
175.14841	5.3
177.09201	3.6
183.11626	3.5
185.13235	5.9
197.13231	3.9
199.11130	3.7
217.10342	3.2
227.17928	3.2
239.18028	3.7
248.61252	3.4
267.21109	7.8
287.23721	4.5
295.20648	6.5
295.55640	3.3
313.21591	15.7
331.22617	43.9
362.30298	3.3
363.25229	30.0
363.30325	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75354	2.7
51.34873	2.5
53.03928	3.1
55.05489	13.1
57.03424	7.0
57.07061	5.1
61.76648	2.5
62.40826	2.7
63.14060	2.5
65.04884	2.9
67.05492	42.8
69.07047	10.7
71.04971	3.3
79.05480	59.8
81.07049	48.9
90.32340	3.2
90.95603	3.5
91.05467	49.0
92.21320	3.3
93.07032	100.0
95.04955	13.4
95.08594	30.1
96.22060	3.5
97.02892	5.6
105.07026	42.8
107.08572	47.4
109.10132	18.5
115.03905	7.1
117.07012	14.7
119.08591	26.0
121.06575	5.1
121.10144	36.5
123.08076	4.6
123.11663	4.6
127.03915	10.1
129.07043	3.3
131.08545	11.7
133.10120	20.3
135.11699	40.8
137.09538	3.6
143.08551	8.0
145.10120	13.0
147.11667	13.5
149.13237	16.6
157.10127	5.3
159.11656	11.2
161.13222	11.5
163.14825	5.9
166.12628	3.4
171.11702	5.2
173.13300	6.7
175.14934	4.8
183.11662	4.6
185.13255	6.7
257.18912	4.3
267.21082	6.3
287.23654	7.5
295.20581	7.6
313.21567	15.4
331.22644	37.5
349.78281	4.7
351.88733	4.1
363.25223	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	363.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
67.05492	5.4
69.07044	2.7
70.06582	2.0
71.18908	2.0
81.07034	4.2
86.09676	1.9
86.27054	1.7
91.05470	4.0
91.71069	5.8
91.71709	4.5
93.07022	3.3
95.08595	6.1
103.05471	10.9
107.04953	2.8
109.10126	4.0
115.05415	2.9
115.98293	1.7
117.06988	6.7
121.06533	3.6
123.04408	6.3
124.18159	1.9
129.06905	1.9
131.04915	24.8
133.06487	2.3
134.38498	1.8
134.79517	2.1
137.05983	17.4
145.06444	14.8
147.04408	24.6
149.05971	56.6
157.06482	5.5
159.08046	4.4
161.05966	6.7
163.07516	17.2
164.07126	2.8
166.08585	8.0
173.06001	2.5
174.20969	1.9
175.07579	5.4
177.09151	3.8
189.09200	2.7
199.07823	2.2
227.12506	3.0
227.26726	2.1
329.21149	8.9
333.15390	2.6
346.23651	5.6
363.26385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37347	5.9
54.27164	4.9
55.05486	9.2
66.41876	5.9
67.05492	16.1
69.07047	22.5
75.78531	6.4
81.07056	21.9
89.06070	12.5
93.07022	12.2
95.08598	16.7
109.06526	8.6
109.10131	8.5
120.98875	6.8
123.08060	93.5
133.10132	9.2
255.46899	7.0
266.62683	8.4
275.02628	7.8
307.22742	10.6
335.91913	7.6
363.28903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06844	4.2
57.07071	57.3
57.76064	4.3
64.90928	4.6
69.07043	5.9
71.08621	40.5
73.06522	5.9
74.92523	5.3
83.38754	4.3
85.10169	22.6
88.81554	4.6
89.06022	100.0
97.60318	4.7
107.07068	5.4
130.08621	30.7
133.08604	35.7
177.11244	7.7
195.12309	19.8
200.39970	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	364.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68377	0.8
65.03956	2.1
76.86766	0.8
86.57165	0.8
91.05474	42.9
95.04961	6.4
102.75922	0.8
102.82545	0.9
119.04935	26.0
121.06538	1.2
123.08073	1.0
132.08118	1.2
136.05238	3.4
137.06033	3.7
139.52060	1.3
151.07536	100.0
160.07584	2.3
169.76212	0.9
232.98909	1.1
261.50330	1.0
315.21979	1.1
319.15982	1.0
364.19012	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04493	5.1
67.05502	18.3
69.03409	5.5
70.06577	5.9
70.76970	1.6
70.93092	1.7
79.05475	8.0
81.03388	3.5
81.07041	7.8
83.04974	5.0
85.02895	34.2
86.09707	2.4
87.04472	3.0
88.02169	2.4
91.05450	4.0
91.71116	2.9
92.78863	1.8
93.03371	4.7
93.07018	15.2
95.08603	8.1
97.02857	6.6
97.06526	3.2
107.08582	3.3
111.04434	26.1
115.14622	1.9
121.10126	21.1
123.11620	2.9
125.05993	8.1
127.03906	8.0
131.38773	1.8
139.11122	2.3
145.04944	10.9
149.09602	23.8
163.06030	3.7
167.10658	100.0
167.63951	2.1
180.08684	2.7
208.13307	5.8
227.12834	2.7
233.09550	2.7
239.52615	2.5
311.14819	4.7
329.16284	2.9
364.26743	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	364.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11482	7.5
55.05516	8.0
60.04520	100.0
61.40711	7.0
69.07053	11.7
70.06574	18.8
72.08141	15.0
81.07069	15.0
84.04506	21.9
86.09749	25.7
91.05482	7.9
93.07054	16.3
99.38439	7.6
120.08081	11.9
130.04971	8.6
138.85594	8.2
151.85207	8.8
163.46585	8.2
164.07057	19.9
198.46046	8.6
210.61263	9.9
235.11249	11.2
259.63623	8.4
346.25827	15.2
364.27002	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	364.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93355	1.1
51.45778	1.2
55.05498	4.5
56.08353	1.1
57.06801	1.9
57.07071	29.8
67.05486	5.4
69.07045	6.4
71.08625	11.1
74.09711	100.0
79.05459	2.8
79.51265	1.3
81.07049	10.4
82.16047	1.5
83.08617	2.4
89.06034	5.6
91.05479	3.0
93.07048	8.2
95.08604	6.8
97.06530	2.3
97.10147	1.9
99.08080	5.2
105.07034	2.1
107.08593	5.5
109.06532	4.3
109.10166	3.4
119.08559	2.2
121.10159	2.2
121.82225	1.4
133.10158	1.7
137.78445	1.3
140.27133	1.6
151.09673	9.1
165.12770	6.1
184.13437	1.6
185.04289	2.2
196.39978	1.5
200.70378	1.5
203.05322	1.9
239.76004	1.6
266.24734	9.9
283.07288	1.6
291.23160	8.3
364.32053	39.6
365.10513	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	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34384	2.4
55.05509	32.2
57.03434	2.4
57.07073	3.1
60.08155	5.5
62.35209	2.9
65.03931	2.5
67.05499	84.7
69.06742	2.6
69.07063	34.5
73.02895	3.5
77.03935	2.8
79.05485	33.8
81.07050	72.7
83.08583	10.0
91.05474	21.5
93.07040	47.1
95.04961	7.4
95.08598	44.2
97.06481	3.5
97.10170	4.4
105.07018	5.9
107.08600	30.4
109.10159	21.2
119.08566	4.5
121.10143	18.5
123.11702	3.8
125.03345	3.1
133.10083	5.9
135.11714	10.6
149.13309	4.5
160.32634	3.0
167.27826	3.0
186.45020	3.1
186.79939	3.1
301.31152	3.6
305.24719	69.8
364.32050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00740	1.8
56.64455	2.1
67.03712	2.0
75.25922	2.3
78.79297	2.7
89.35332	2.3
109.72438	2.4
110.48872	2.9
122.98700	2.8
167.51614	2.4
185.04193	32.3
203.05255	57.8
244.07967	4.3
365.10495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51542	10.3
59.45131	13.3
59.46277	12.6
75.53777	13.7
77.90675	11.4
84.43200	15.1
89.29454	13.8
107.47658	13.1
107.69660	12.1
109.96940	14.1
185.04248	42.4
188.27325	15.4
199.88568	18.8
203.05296	66.0
219.53529	15.0
225.67860	14.6
228.47798	15.3
352.39127	16.1
360.89661	18.2
365.10593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29628	2.2
57.15954	2.6
60.04505	6.8
64.32294	2.6
67.05488	2.4
68.05024	2.6
70.06590	26.2
71.06926	2.7
72.08154	4.8
75.30351	2.7
77.61658	2.8
84.04507	8.5
84.08146	6.0
86.09696	6.1
91.05472	4.5
94.06581	3.5
98.06076	4.1
108.04465	46.8
110.06054	7.9
118.06516	21.1
120.08090	3.5
121.06503	3.5
122.02390	94.3
122.05965	2.8
124.03949	5.5
124.07630	6.4
124.75739	3.1
129.10220	3.0
132.08058	15.8
137.04816	3.7
138.05554	3.4
140.03459	4.4
140.07036	6.4
142.57762	2.8
144.08066	16.9
146.06020	41.7
148.03925	8.6
152.07051	17.8
157.27734	3.4
164.03488	4.7
166.04985	30.4
168.06543	31.5
170.05968	3.4
170.08136	21.2
182.04471	65.8
183.05223	13.7
188.07091	40.5
196.06036	100.0
220.55772	3.0
272.35162	2.8
307.85733	3.0
319.12946	7.5
333.10791	31.3
333.14383	3.8
351.76578	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25344	8.4
55.01881	10.9
61.01134	56.0
61.51400	9.4
66.67569	11.3
66.80665	10.9
67.05494	11.0
70.06573	35.5
72.04497	49.3
72.08145	11.0
78.03774	29.4
84.04522	13.1
84.08145	23.1
86.06073	14.0
86.09693	25.7
87.00802	15.4
88.02226	15.9
91.13623	12.0
94.20358	10.8
102.03768	30.4
102.60844	12.3
103.02158	60.5
113.06062	10.4
114.03690	14.6
114.05521	75.9
115.06107	12.5
116.07054	13.6
120.04815	71.7
120.08110	50.3
120.21021	12.4
122.79638	11.9
127.29710	11.1
131.06358	13.5
132.04791	24.2
146.02733	20.1
147.01096	31.5
147.53899	11.7
149.07451	39.0
159.05894	21.6
164.03745	19.2
185.04297	17.7
191.08446	67.5
203.05278	34.7
235.07487	100.0
303.13815	33.9
319.02029	13.5
346.11099	15.2
347.12784	33.0
365.10464	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.5
61.48250	1.9
70.03884	2.0
71.04976	3.7
78.47903	2.2
79.05485	7.3
83.06090	3.1
84.04494	12.1
91.05465	7.0
91.71414	9.8
91.89111	2.1
93.07061	6.1
94.69489	2.6
95.04964	4.3
106.06547	10.2
107.04945	59.4
110.06076	2.4
115.95682	2.4
120.08089	15.1
121.06488	22.0
121.79772	2.2
129.03108	2.3
129.06601	4.3
130.05002	9.3
134.06000	13.5
135.04395	37.5
137.05956	4.0
144.08052	3.0
147.07730	2.5
152.07050	100.0
152.08272	5.2
162.01561	2.6
177.12747	3.5
189.77956	2.4
199.09616	2.4
214.12315	10.2
348.16034	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	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	6.1
81.07065	5.8
91.05515	4.6
175.92084	4.2
192.36681	3.6
217.79578	4.4
271.96951	4.7
273.38110	3.9
302.96616	4.2
303.19226	11.7
305.61621	5.7
329.17197	20.7
347.18307	44.8
365.19305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02684	2.9
50.51029	2.8
55.01866	4.3
55.05512	4.4
56.96556	6.6
57.07037	3.2
63.64563	3.1
67.05487	14.7
69.07031	5.8
79.05483	11.2
81.07063	20.2
91.05477	12.9
93.07043	6.8
95.04946	6.3
95.08623	5.9
97.06512	4.4
105.07020	8.8
107.04945	4.9
107.08609	12.5
109.01307	4.1
112.60500	4.2
119.08614	6.8
122.19966	3.7
125.96073	3.6
127.03921	5.0
140.78421	3.9
145.09944	4.1
170.04767	3.7
303.19312	13.0
306.08249	7.5
324.09229	23.7
324.56421	4.9
342.06406	5.0
342.10184	11.0
347.10779	9.5
365.11847	50.0
365.19266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Isolineolon
Peak:m/z	Relative Intensity
55.05505	6.9
56.96539	3.9
57.03426	47.3
67.05492	39.6
69.07058	9.5
71.04976	5.9
79.05480	52.4
79.79139	3.8
81.07040	64.1
82.38714	3.9
83.04961	4.3
83.08604	6.2
85.06537	9.0
91.05473	60.8
93.07037	100.0
95.04963	17.7
95.08599	43.0
97.06497	4.8
105.07029	69.6
107.08575	49.3
109.02910	4.4
109.06506	21.8
109.10162	14.9
111.08076	4.7
115.03929	16.5
117.06998	19.6
118.06496	3.6
119.08562	43.3
121.10155	17.6
123.08098	8.3
124.83081	4.2
127.03915	21.0
129.07011	13.6
131.08565	28.9
133.10101	26.0
135.08028	7.8
135.11705	12.2
137.06018	4.8
137.09631	10.2
140.00253	3.8
141.06966	6.3
142.07738	4.2
143.08539	15.4
145.10130	28.2
147.08037	5.2
147.11684	18.9
149.09586	10.5
149.13246	4.9
151.07597	5.3
151.11200	8.0
153.09195	4.6
155.08624	12.2
157.10149	8.8
159.11665	31.1
161.13248	15.1
163.11153	4.0
169.08778	4.1
169.10146	11.4
171.11705	12.5
173.13243	7.1
175.11174	4.0
179.10590	4.1
181.10123	7.1
183.11748	10.1
185.13326	10.7
187.10997	3.9
187.14853	8.4
195.11700	8.2
197.13402	5.8
199.11082	8.5
209.13303	4.3
211.14781	18.7
229.15930	9.6
239.14392	12.1
255.17323	6.9
257.15363	19.5
273.18515	10.5
275.16357	35.2
281.23569	4.4
283.20551	6.2
291.19870	5.0
293.18378	4.2
311.20065	26.9
329.21066	62.4
347.22137	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
53.95646	3.0
55.05494	10.3
67.05495	33.0
68.48462	3.2
69.03401	3.1
69.07052	11.6
79.05481	23.4
79.08862	3.1
80.74998	3.2
81.03411	5.3
81.07050	100.0
83.04970	5.0
83.08599	9.7
91.05484	20.0
93.07037	14.7
95.04973	15.1
95.08603	16.0
103.15771	3.7
105.07029	13.9
107.04944	7.3
107.08601	12.6
109.06503	33.6
109.10162	11.1
115.03918	3.6
117.06988	7.0
119.08580	10.4
121.06503	5.2
121.10139	11.9
123.04420	6.9
123.08052	11.8
127.03915	15.6
129.06935	7.1
131.08559	8.7
132.41187	3.5
133.10081	8.0
135.11812	3.6
137.09682	6.5
145.10201	5.8
147.11647	4.9
149.09625	3.5
149.13303	4.4
159.11778	5.5
173.65735	3.5
178.91847	3.5
191.14352	5.6
203.86731	3.3
219.13853	5.6
222.45773	3.3
299.08389	5.2
329.21158	10.3
347.22247	24.4
365.23260	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Cespihypotin O
Peak:m/z	Relative Intensity
54.96447	16.9
55.05514	30.1
57.03417	38.4
65.59264	11.4
67.05486	55.8
69.07059	20.4
73.49380	10.4
79.05491	36.6
81.07042	60.3
83.04936	15.2
91.05459	47.1
93.07025	41.0
95.04947	44.4
95.08592	25.6
97.02869	10.8
105.07040	36.5
107.08588	58.8
109.02821	14.2
109.06499	18.6
109.10126	24.6
109.66537	12.4
111.04461	41.9
111.55371	13.1
115.03937	25.5
117.07026	14.2
119.08587	25.9
121.10108	17.0
127.03908	100.0
131.08551	22.7
133.10103	29.4
135.08047	20.2
145.10080	17.1
147.11736	21.2
161.78041	14.5
179.10687	20.3
185.04262	16.9
197.11760	40.9
225.11205	19.9
250.93794	19.2
253.14342	47.9
273.75217	14.7
281.13824	17.2
309.79791	14.1
329.21225	18.0
347.22003	49.7
365.22757	26.6
365.26666	40.8
378.60544	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	365.2321
Annotation	Lineolon
Peak:m/z	Relative Intensity
52.00667	5.9
55.05489	10.5
56.96550	13.2
67.05481	32.7
69.07046	25.1
79.05480	16.3
79.08660	6.9
80.42920	6.9
80.81161	7.2
81.07050	32.3
83.04959	10.1
91.05483	26.6
93.07049	30.7
94.29793	7.0
95.04961	12.7
95.08613	40.1
98.18141	7.2
105.07021	39.9
107.08603	17.1
109.06542	8.6
109.10152	9.3
113.72933	7.6
117.07069	8.9
119.08569	17.5
121.06493	9.5
123.08071	13.4
123.11642	9.4
127.03908	13.8
130.44389	8.4
133.10115	15.2
147.11568	14.0
169.25693	8.6
283.15808	13.6
306.17078	9.6
324.18686	11.5
329.20862	14.4
347.22226	100.0
365.10474	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	365.2322
Annotation	Lineolon
Peak:m/z	Relative Intensity
51.12053	2.7
51.71779	2.7
53.03938	3.6
55.01859	10.0
55.05507	11.8
57.03425	5.4
57.07063	4.2
65.03922	4.9
67.05492	35.4
69.07059	13.0
71.04981	4.8
79.05486	18.9
81.03405	6.7
81.07047	100.0
83.08608	8.9
90.55244	3.5
91.05492	18.9
91.71651	8.0
93.07037	20.3
95.04967	10.6
95.08588	23.9
97.06542	6.4
97.57394	3.4
105.07034	20.2
107.04953	7.1
107.08591	14.1
109.06510	27.1
109.10157	16.0
111.08085	4.9
111.11747	4.8
115.03920	6.3
117.07069	6.1
119.08564	12.7
121.06559	7.3
121.10155	9.0
123.08092	12.4
127.03952	16.8
131.08572	8.9
133.10107	6.9
135.11716	5.9
137.09602	5.1
145.10106	9.8
151.11185	5.4
165.17574	4.1
173.13289	4.6
177.12685	3.9
191.10567	4.0
201.12732	5.9
237.14812	4.4
256.78998	4.2
265.14310	4.0
270.97647	4.6
281.45038	4.6
313.79144	4.6
329.21082	11.7
347.22104	27.5
365.22986	18.7
380.21875	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Cespihypotin O
Peak:m/z	Relative Intensity
50.84491	5.0
55.01852	4.7
55.05487	14.6
57.03428	5.1
57.07053	8.5
67.05497	45.0
67.58814	5.2
69.07058	27.3
71.53779	6.0
79.05492	17.7
81.07046	49.0
83.04983	9.7
83.08604	9.3
85.53798	5.9
86.09680	13.1
91.05451	32.3
91.70371	5.5
91.71069	12.1
93.07049	30.2
95.04964	15.1
95.08590	29.5
97.06534	11.5
105.07001	39.8
107.04971	9.0
107.08584	23.0
109.06522	13.1
109.10123	11.4
119.08595	23.8
120.15617	5.6
121.06517	8.8
121.10187	10.6
123.08047	15.3
127.03912	14.1
129.07002	6.8
131.08583	15.4
133.10133	15.6
143.08545	9.1
145.10104	15.3
147.11729	11.2
151.11191	7.6
159.11787	8.0
184.07359	15.6
198.93443	7.9
199.14693	6.2
220.07693	6.9
256.45795	7.3
294.22626	6.8
329.21085	16.4
331.08545	7.7
332.50726	6.8
347.22153	100.0
348.22473	15.0
365.10526	17.1
365.23102	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	365.2321
Annotation	Cespihypotin O
Peak:m/z	Relative Intensity
51.26012	16.7
55.01856	25.2
55.05508	31.3
61.33847	18.6
66.34861	16.7
67.05488	48.6
67.31181	15.8
68.84895	17.9
69.07058	31.7
69.10873	23.3
69.22661	18.2
78.99521	20.1
79.05470	22.0
81.07047	100.0
91.05441	28.1
93.07030	24.0
93.15514	18.9
95.08601	52.6
97.06502	28.7
105.06981	39.9
107.08635	22.4
109.06486	23.1
109.10152	37.2
123.08007	26.2
131.08638	22.4
155.65862	21.0
199.40530	20.0
347.22128	65.9
365.23126	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.3
56.96579	19.2
67.05494	58.4
69.07066	25.5
75.79429	21.0
79.05505	30.4
81.07068	100.0
83.99450	22.0
86.09741	32.3
91.05510	94.5
91.71577	24.7
93.07078	62.2
95.04990	50.8
95.08617	55.2
99.45006	20.6
105.07071	78.5
107.08612	52.5
109.06499	24.0
109.10130	32.0
117.07108	22.4
119.08628	38.8
121.10214	49.9
131.08597	49.3
133.10077	33.3
143.08693	26.9
145.10101	42.2
155.08566	25.3
157.10199	26.6
163.48929	21.6
173.13367	37.0
173.55199	27.5
191.14430	27.8
365.24646	76.1
377.13824	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23557	39.5
65.30442	32.0
66.83003	37.5
67.05478	91.7
69.74016	37.5
76.60163	35.9
79.05469	43.0
81.07035	62.5
88.66962	44.8
93.07032	55.4
95.04980	51.5
95.08602	100.0
107.08577	62.1
114.48049	38.5
119.08569	41.4
131.08482	57.7
133.10130	42.5
148.90894	43.7
157.10147	46.4
159.11661	67.4
183.11844	40.2
207.11812	47.0
259.79443	40.8
268.65143	41.9
365.10428	67.4
365.24213	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	34.7
61.58828	13.1
62.70305	14.1
66.75240	15.2
67.05489	45.2
69.03422	14.8
69.07038	31.9
79.05495	45.7
81.07050	100.0
81.65056	18.1
88.45258	17.7
91.05470	60.9
93.07046	79.9
95.04946	53.1
95.08607	50.0
105.07049	77.8
106.91010	15.8
107.08588	61.5
107.71510	17.6
109.10158	33.5
112.04877	16.0
117.07040	24.6
117.09474	16.0
119.08576	58.0
120.46520	15.0
121.10161	44.5
129.07001	24.4
131.08559	63.2
133.10172	23.9
135.08063	31.6
143.08577	45.2
145.10141	45.2
147.11714	31.1
155.08574	24.8
157.10149	23.0
159.11719	22.4
169.10104	21.4
171.11682	18.4
173.13222	55.5
183.11736	47.5
191.14326	36.3
195.11659	24.9
207.11612	30.1
211.14795	23.6
219.61861	16.6
233.13182	19.7
249.16409	23.2
255.09410	17.1
347.23630	23.2
365.10904	19.0
365.24564	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	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61749	2.5
55.01880	3.3
55.05489	7.8
57.03424	5.9
57.07066	5.1
64.86425	3.1
67.05495	100.0
67.21369	3.3
69.07059	6.4
79.05483	18.9
81.07046	89.8
83.08575	3.6
91.05464	14.0
93.07028	26.8
95.08599	62.4
97.10189	3.6
105.07030	9.5
107.08580	26.0
109.10139	28.6
111.04433	3.4
115.03947	3.4
117.07051	4.8
119.08607	7.5
121.10146	15.5
123.11700	17.1
127.03871	4.2
131.08568	5.0
133.10150	8.3
135.11641	9.7
137.13272	6.7
145.10130	5.5
146.25201	3.6
147.11736	5.5
149.13272	10.3
163.14836	4.7
199.56319	3.5
219.10329	3.9
269.22614	4.6
289.25299	8.6
315.23224	17.1
333.24133	35.8
365.26645	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	365.2685
Annotation	Plakorsin C
Peak:m/z	Relative Intensity
52.56797	2.4
54.18588	2.6
55.01860	3.1
55.05489	9.4
57.03419	8.3
57.07062	4.3
59.04994	27.8
59.94445	2.4
60.77663	2.9
65.03931	3.6
67.05492	100.0
69.07059	11.8
71.04994	3.2
79.05482	18.8
81.07047	94.2
82.20080	3.0
83.04980	4.4
83.08614	6.7
88.47107	3.1
91.05469	19.5
91.06812	3.5
91.70993	5.5
93.07028	34.7
95.04969	4.8
95.08590	63.6
105.07011	14.3
107.08564	17.9
109.06570	3.5
109.10157	33.6
117.07024	6.0
119.08559	13.3
121.10146	14.4
123.08057	3.7
123.11653	20.7
131.08589	7.4
133.10153	9.0
135.11703	14.0
137.13249	9.7
143.08560	5.0
145.10158	7.3
147.11652	9.9
147.22673	4.3
148.80807	3.6
149.13280	9.3
151.07475	3.3
159.11726	5.1
163.14835	4.1
165.09166	4.0
175.14893	4.2
187.14783	3.8
199.14929	3.6
231.20830	4.1
241.19652	6.7
269.22440	5.2
271.24274	3.5
275.31293	3.4
287.23563	6.0
289.25250	11.0
291.19940	4.5
297.22015	4.3
315.23178	16.5
333.24246	45.8
347.25562	7.5
365.26822	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71912	3.2
55.05493	10.0
57.03418	10.8
59.04988	26.4
59.21506	2.8
62.10329	3.2
65.03925	3.6
67.05494	92.8
69.07050	12.8
75.51649	3.1
79.05488	21.8
81.07046	100.0
83.08604	4.4
91.05467	16.6
91.70348	3.5
91.71686	4.7
93.07027	32.3
95.04969	5.4
95.08033	7.2
95.08604	73.9
105.07013	13.2
107.08575	18.9
109.10149	36.9
115.03947	3.8
119.08584	8.7
121.10143	18.0
123.11707	22.5
127.03932	6.3
129.93651	4.4
131.08504	9.1
133.10124	11.8
135.11664	9.3
137.09575	4.8
137.13316	9.3
145.10088	6.4
147.11650	4.1
149.13263	13.4
163.14844	4.6
173.13228	3.9
176.15108	4.9
241.19560	4.2
263.93045	4.3
287.23703	6.5
289.25232	13.4
315.23175	17.0
333.24139	43.3
365.26941	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	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.19989	2.7
53.00298	3.0
55.05496	3.3
57.07058	12.5
67.05490	15.4
69.07081	4.1
79.05511	4.4
81.07050	15.1
85.06519	7.7
91.05471	4.5
91.71630	5.3
93.07040	7.5
95.08610	16.2
103.46314	3.5
105.07074	5.2
109.10168	6.6
123.08080	5.3
135.11757	4.3
152.08347	8.0
165.09125	5.0
203.05098	5.1
263.20074	4.5
298.13348	4.3
347.25781	17.9
365.10468	6.2
365.26846	100.0
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	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05496	3.9
57.07060	3.1
67.05488	5.3
69.07068	9.5
71.08620	2.2
79.05472	3.3
81.07040	8.3
83.04988	2.1
83.08611	3.3
85.06528	2.5
91.05480	3.8
92.26004	1.4
93.07021	4.0
95.08602	7.2
99.08100	1.6
104.66480	1.5
107.08574	4.9
109.06509	4.5
109.10117	2.4
111.04452	6.4
111.10089	1.4
119.08562	2.0
121.10098	3.5
123.08092	8.4
123.11700	2.1
125.05989	4.8
135.11708	2.9
145.10095	1.9
147.11612	1.9
149.09602	1.5
151.07600	4.4
152.08377	3.6
165.09082	19.6
179.10638	3.7
192.07788	1.7
208.14542	2.6
221.15320	2.1
222.39183	2.0
249.18500	2.3
263.20132	1.7
291.08679	1.8
305.24698	10.1
314.57745	1.9
319.26251	5.5
347.25827	51.0
365.23141	4.9
365.26846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.54618	4.5
55.05508	8.5
67.05508	19.9
69.07075	9.2
71.81366	4.8
74.76969	5.5
74.80695	4.2
79.05499	11.2
81.07055	31.5
91.05524	6.2
93.07064	12.0
95.08625	18.1
95.36317	4.9
105.07082	5.0
107.08628	6.6
109.06548	8.2
109.10191	12.4
119.08605	5.3
133.12355	5.6
135.08032	6.3
152.08264	8.6
163.17625	4.9
165.09180	14.5
251.69485	5.7
254.48674	5.3
263.20071	5.8
305.24619	12.4
306.25101	7.9
347.25800	16.9
364.32040	7.5
365.26816	100.0
365.31903	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	366.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58133	6.1
56.70106	7.7
56.96559	12.4
61.92106	6.4
70.06568	15.4
79.22240	6.6
91.71049	8.7
112.17097	8.3
120.97122	7.4
124.30330	7.3
131.85887	8.9
149.02368	32.4
174.34531	11.0
184.67928	7.7
193.04924	39.8
200.20151	21.4
293.06558	8.5
340.16620	8.8
342.98953	28.8
361.00116	26.5
366.00546	100.0
366.22720	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28511	2.9
56.05005	3.2
61.02908	5.7
70.06577	22.2
71.01330	6.7
72.08144	7.1
77.54848	3.0
81.67719	3.0
84.04501	8.9
84.08126	11.3
86.09685	6.2
90.82950	3.4
97.24303	3.4
99.58447	3.5
103.03958	18.1
120.08128	3.7
136.06183	4.2
136.07623	4.6
144.04402	4.2
148.03937	8.4
152.07091	3.9
160.04007	4.2
162.05447	24.0
164.03418	100.0
166.08603	3.6
172.03854	6.0
176.03375	6.7
177.04185	5.1
178.05025	12.7
188.03450	5.7
190.04988	8.5
192.06587	8.0
204.02945	15.5
218.04449	31.4
231.02373	4.1
236.05659	9.8
246.03975	8.7
306.06058	16.3
323.25931	3.9
328.06638	4.6
366.08078	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	366.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
61.99666	1.5
70.06589	3.8
72.08155	3.3
84.04510	1.8
84.08146	2.5
86.09734	3.0
88.07624	8.5
89.07986	2.1
90.05547	81.7
91.71639	4.0
94.49108	1.6
97.05735	1.8
107.04948	100.0
108.36817	1.7
109.03116	1.5
116.07166	1.9
120.39119	1.7
137.06009	5.7
153.05519	2.0
164.07054	2.1
165.05435	3.2
171.06563	3.4
183.06535	9.7
259.09613	20.6
267.17343	2.0
277.10645	8.6
384.31409	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	366.1693
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
50.46392	1.9
66.31744	2.0
67.60285	1.7
68.79267	1.9
71.06106	5.3
71.23282	1.8
72.72491	1.9
73.49000	2.1
74.00272	2.1
74.00638	11.8
76.02200	5.0
77.00612	5.5
84.04527	2.2
86.06050	30.8
88.03963	5.3
95.04941	2.0
98.06050	4.3
102.03761	29.1
115.08715	6.2
117.93346	1.8
118.03226	23.2
118.18776	2.0
120.01158	69.1
130.03220	9.6
132.07759	2.3
133.64035	2.3
135.83174	2.1
140.64050	2.3
142.08636	6.0
144.04776	4.6
147.05861	56.6
147.56464	2.1
148.04234	14.1
156.04747	3.6
161.73058	2.4
162.02187	3.5
164.07094	4.4
165.06918	6.7
171.48088	2.4
173.07436	13.1
184.09624	3.2
188.46558	2.4
203.05237	2.4
219.08017	3.2
236.10616	100.0
258.16675	2.4
348.15781	25.7
366.10986	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	366.1698
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
51.88412	1.4
53.03954	1.5
53.20489	1.7
54.40413	1.5
65.03902	1.7
67.05493	4.2
79.05491	2.8
79.96520	1.7
81.07051	3.0
91.05473	53.3
93.07030	16.0
95.04945	5.9
95.08614	2.5
103.05453	10.8
105.07041	2.1
106.06566	3.7
107.04938	25.5
107.07343	2.6
111.53778	1.7
112.62318	2.2
117.05718	2.3
117.07020	4.4
118.06527	10.0
119.04935	19.0
120.08109	5.3
121.06496	84.5
122.62354	1.9
123.04435	6.7
130.06519	8.8
132.08095	8.1
133.08856	3.7
136.05208	3.0
137.05968	100.0
144.08081	35.5
219.19374	2.0
226.08743	2.0
234.37328	2.4
238.12254	5.7
240.10135	6.2
241.10999	4.1
254.11760	14.0
342.30057	2.3
348.15912	80.3
366.17252	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1909
Annotation	Pulchellamine B
Peak:m/z	Relative Intensity
51.45225	11.3
55.01862	18.7
67.05498	15.9
69.07057	13.1
70.55727	12.4
84.04507	100.0
85.27922	15.7
86.09692	19.5
91.05451	29.6
93.07040	59.2
97.73410	14.3
98.12793	16.9
102.05536	54.3
107.08581	35.1
117.07030	18.3
121.06566	16.8
122.05998	20.8
130.04994	48.1
140.07071	19.8
148.06065	50.7
153.09134	26.9
156.40163	16.8
177.12761	61.9
185.50221	22.0
201.12849	23.0
219.13800	35.5
223.69124	16.9
286.04407	19.0
310.04105	18.4
320.18866	25.6
366.19089	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1912
Annotation	Senkirkine
Peak:m/z	Relative Intensity
50.06886	3.3
55.01875	6.4
55.05501	4.8
67.05505	6.5
70.99442	3.6
71.04959	3.9
79.05505	14.5
81.07078	6.6
83.68287	3.9
84.04496	100.0
91.05467	26.8
93.07032	29.9
102.05527	37.5
105.07018	21.5
107.08626	19.6
117.07054	9.7
119.08614	11.6
121.06506	10.9
123.08139	4.8
129.07014	6.3
130.04994	38.9
131.08615	11.8
133.06512	5.0
135.08040	36.5
145.10127	4.8
148.06030	47.9
149.09663	12.5
151.07585	17.3
153.09087	20.4
155.08572	6.8
159.11771	13.8
163.07635	4.9
165.09132	9.2
173.13432	5.5
177.12723	45.7
183.11794	6.4
201.12808	18.4
219.13768	28.9
237.14841	9.9
239.74594	5.5
259.38232	4.8
320.18613	14.3
338.01566	5.2
348.18033	11.7
366.19067	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.6
56.05012	10.5
60.04515	28.6
67.05488	8.5
69.16579	3.5
70.06573	17.6
72.08138	16.4
72.21692	3.3
74.06071	26.1
77.53206	3.4
79.05491	3.5
82.06574	3.4
84.04498	14.4
84.08121	7.5
86.09697	13.6
91.05467	10.9
91.71646	8.2
101.07127	21.6
103.05479	6.0
105.06976	5.6
107.04964	7.0
110.07169	4.7
120.08094	100.0
121.06471	9.1
125.11335	3.3
129.10249	3.8
131.08537	3.6
136.06219	8.3
136.07555	8.8
139.05153	3.5
143.49313	3.9
150.24460	3.6
158.09653	13.6
165.41408	4.6
176.10693	12.5
198.69656	4.0
201.12350	4.9
221.12811	82.7
221.14784	7.2
232.82445	3.8
249.12367	16.5
265.15500	5.8
338.53873	4.0
348.27631	7.8
364.74908	4.1
366.28372	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	366.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	7.5
58.06583	2.7
65.03946	4.9
70.06587	26.9
71.08640	4.2
75.57394	2.3
88.07618	27.7
102.09197	17.8
109.58810	2.2
110.30338	2.2
135.08049	6.6
149.02341	100.0
149.03387	5.4
177.12735	3.7
192.43315	2.6
193.04962	96.2
200.20085	47.1
231.58049	3.1
280.59888	2.8
366.18311	3.8
366.22787	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	366.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.0
57.07076	16.5
57.07289	2.5
59.92775	2.6
61.26318	2.6
69.07053	6.7
71.08614	8.7
74.06083	9.8
83.08614	6.3
83.68023	3.0
88.07632	26.2
102.09168	14.7
116.10686	6.3
119.26247	3.7
147.63721	3.5
151.88713	3.0
284.29437	76.9
288.35120	4.3
325.32141	6.0
345.29727	3.8
366.37256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61859	1.3
54.29715	1.1
55.01865	1.4
56.05038	1.2
60.04521	9.6
61.65523	1.1
67.05489	2.1
69.07112	1.3
70.06590	3.0
72.08176	1.3
73.34510	1.2
75.87544	1.2
84.04533	2.4
84.08144	1.5
86.09729	2.8
95.08643	1.9
97.02859	1.3
103.94436	1.4
110.07184	1.5
112.06480	1.5
120.08143	1.7
123.04420	1.8
129.07063	3.4
150.83276	1.7
150.84505	1.4
156.08104	3.5
170.06068	2.5
184.07628	7.5
198.05516	2.0
202.08748	1.8
212.07010	9.9
216.06517	1.8
226.05060	5.8
230.08147	2.9
240.06487	13.6
244.06013	2.7
244.09845	5.1
254.04482	17.4
258.07590	9.5
268.06039	14.7
268.08667	1.6
272.05511	58.0
274.38022	1.6
286.07123	17.6
288.08704	2.1
296.05515	11.8
313.08127	1.6
314.06573	100.0
315.06943	2.1
330.26657	1.9
331.09280	5.9
332.07639	60.6
333.08423	1.7
348.27573	1.9
349.10263	3.4
350.08865	6.1
366.28598	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1649
Annotation	CHEBI:67516
Peak:m/z	Relative Intensity
56.05041	16.4
65.05720	7.3
65.75564	7.4
67.05527	7.9
68.84448	8.2
74.06082	46.4
78.91892	7.5
81.07079	17.3
92.22229	7.7
93.07068	23.7
102.05553	17.7
105.57771	7.9
119.08574	11.2
120.06627	38.5
121.10220	13.1
133.10138	11.9
160.93976	9.7
240.09055	9.7
241.09810	16.2
245.45453	9.6
255.07805	38.7
269.09329	38.0
297.08749	15.4
298.09500	63.5
349.22284	13.5
367.16544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.5
55.05490	18.5
57.03436	8.8
67.05494	39.9
69.07053	19.6
71.05024	6.7
71.08589	6.1
72.23872	5.7
79.05490	19.5
80.80409	5.7
81.07050	100.0
83.08611	8.6
91.05471	25.9
93.07035	21.6
95.04967	6.4
95.08591	26.4
97.06508	10.1
105.07016	18.6
107.08601	16.5
109.06478	18.9
109.10165	10.3
119.08590	13.5
121.06486	6.4
121.10182	7.5
123.11710	9.1
128.30849	5.4
131.08598	9.1
133.10150	11.9
147.11633	10.2
149.13205	6.5
165.12682	7.2
175.14900	6.4
194.34859	8.6
200.31876	6.1
241.98997	5.8
275.20047	21.2
349.23746	11.8
367.24518	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	367.2476
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03922	2.8
55.01873	8.4
55.05503	17.8
57.03417	8.1
57.07064	6.8
66.23879	3.3
67.05499	34.7
68.24333	2.9
69.07047	16.5
71.04979	6.4
79.05486	31.1
81.07046	38.3
82.53827	3.1
82.60801	3.8
83.04967	5.8
83.08614	7.8
84.94627	3.8
91.05469	29.5
93.07041	39.2
95.04961	11.8
95.08598	20.9
97.06522	5.8
97.10157	6.3
104.45055	3.2
105.07041	38.4
107.04949	11.5
107.08584	21.2
109.06502	9.7
109.10162	13.6
117.07023	11.7
117.47424	3.5
119.08589	18.9
121.06503	14.2
121.10144	14.8
123.08040	5.4
131.08549	22.2
133.06540	4.8
133.10129	14.5
135.00488	3.3
135.08070	8.5
135.11703	12.6
143.08594	6.3
145.10123	16.8
147.11697	13.1
149.09669	6.1
149.13277	5.7
157.10168	6.9
159.07977	4.8
159.11604	4.9
163.11186	11.0
168.74210	3.9
172.60811	4.2
173.09680	5.5
173.13281	7.1
177.38887	3.9
201.12799	4.5
207.13762	4.7
219.13751	4.1
243.67036	4.0
257.19070	15.1
275.20016	100.0
275.22952	6.1
293.21216	6.4
340.10410	4.0
349.23618	41.0
367.24557	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	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.32714	15.6
54.20313	12.4
55.01869	86.6
55.05495	31.4
67.05482	36.0
69.07050	69.7
74.05633	14.3
78.41182	13.5
79.05470	16.8
81.07034	71.9
83.04958	19.0
83.08600	31.3
91.05463	36.7
93.07029	33.0
93.36145	14.5
95.08612	49.9
97.02918	15.6
97.06504	100.0
100.70071	16.3
105.07077	23.1
107.08595	24.9
109.10165	17.7
119.05665	18.6
119.08588	31.7
127.03905	33.2
147.11693	20.0
231.89397	17.7
305.95816	18.0
308.97110	16.9
331.22479	27.6
349.23788	67.8
363.62930	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	367.2477
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.01870	20.5
55.05295	9.5
55.05510	100.0
57.03441	9.0
67.05499	57.0
69.07061	26.8
70.32098	7.0
75.41993	6.6
79.05482	34.7
81.03402	8.8
81.07043	66.7
83.08613	87.7
84.63721	7.0
91.05471	32.5
93.07047	35.8
95.04963	12.8
95.08608	43.2
97.06547	13.5
97.89516	8.5
105.07050	35.1
107.08587	27.3
109.10152	16.9
111.08073	21.9
115.03917	11.8
117.07037	11.1
119.08555	21.3
121.10158	28.7
127.03897	24.5
129.07018	8.8
131.08612	23.8
133.10114	22.6
135.08067	8.5
135.11676	13.8
139.11209	18.1
145.10097	11.0
149.13199	10.4
151.07533	10.4
159.11676	29.0
161.13316	10.6
162.12772	7.9
162.80353	8.0
172.49850	8.2
173.13293	8.6
187.11183	19.5
201.12802	13.9
208.35287	9.6
229.12260	14.4
288.76563	9.6
314.19818	8.3
331.22736	28.0
349.23663	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.4
57.03419	7.8
59.59874	3.7
59.90221	3.4
64.83637	3.3
65.72382	3.4
67.05504	29.3
69.07042	21.1
78.13542	3.7
79.05489	16.0
81.06602	5.9
81.07055	100.0
83.04971	5.4
83.08620	10.1
91.05476	23.0
93.07009	21.7
95.04932	11.2
95.08582	17.8
97.06546	5.0
97.10207	4.3
105.07016	19.7
105.55152	4.1
107.04945	7.3
107.08603	15.8
109.06504	22.5
109.10146	7.7
111.07978	3.8
117.06969	6.6
119.08579	13.3
121.06515	25.2
121.10155	12.9
123.08073	6.3
123.11718	7.5
130.82977	4.0
131.08557	11.5
131.43898	3.8
133.10144	13.5
143.08476	4.3
145.10144	7.3
147.07919	4.7
147.11707	11.4
149.09644	6.4
149.13220	5.4
150.29631	4.4
159.11674	7.1
163.11131	5.1
166.12262	19.4
223.41594	4.4
236.51172	4.5
239.17926	5.4
247.20506	6.6
272.79147	4.6
275.20093	27.8
349.23624	12.5
367.24634	15.9
367.60843	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05492	23.4
55.35992	4.8
57.07042	11.9
62.28046	4.6
67.05492	56.1
69.03407	9.6
69.07063	23.7
71.05000	5.6
79.05487	33.1
81.07054	67.2
83.08570	10.0
85.06536	8.7
91.05473	71.3
92.60796	6.2
93.07034	82.5
95.04964	52.0
95.08593	79.9
97.06491	14.1
103.41999	6.6
105.07026	98.6
107.08588	72.0
109.06523	10.2
109.10150	48.7
117.07000	17.6
119.08585	100.0
121.06514	10.3
121.10130	48.2
123.11718	16.5
128.06197	15.9
128.45529	6.2
129.06982	20.9
130.07787	8.5
131.08562	64.7
133.10129	68.8
134.13911	6.7
135.08069	15.4
135.11705	13.5
142.07791	18.6
143.08562	39.0
144.09373	9.0
145.10110	55.2
147.11694	19.0
149.09595	11.4
155.08615	14.1
156.09341	13.6
157.10135	47.1
158.10939	13.5
159.11656	38.2
161.09598	37.0
167.08583	8.3
169.10112	9.9
169.53827	7.1
171.11690	26.5
173.09732	8.0
173.13292	21.7
175.14835	20.8
179.08562	6.4
181.82397	6.4
183.06357	5.8
183.11693	17.8
185.13287	12.0
187.14845	16.6
195.11760	12.5
197.13248	15.5
199.14920	10.5
209.13217	17.4
211.14821	13.1
227.14336	14.8
247.63181	7.3
248.21701	6.4
320.46783	7.2
380.90765	7.6
383.57648	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	35.1
57.07070	20.4
67.05491	56.0
69.07040	29.7
80.68837	17.7
81.07035	57.2
83.08598	20.2
91.05491	35.5
91.71018	40.0
93.07050	91.2
95.04935	29.5
95.08588	77.6
105.07030	85.3
107.08573	47.6
109.06435	21.0
109.10119	44.8
113.45017	20.9
115.13549	16.8
117.07025	25.8
119.08580	100.0
121.10175	45.3
129.06934	22.2
131.08546	41.3
133.10118	30.9
135.08105	19.1
143.08562	28.1
145.10129	85.8
157.10028	31.1
159.11681	38.1
161.09650	32.3
171.11679	25.9
195.23515	21.7
208.47194	20.4
237.10503	20.5
265.59183	23.8
271.90472	19.3
367.26370	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	367.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	57.5
57.07069	75.4
61.02927	10.4
64.50961	8.5
67.05498	77.0
69.07060	74.3
71.08627	55.3
79.05480	32.0
81.07040	99.6
83.04965	13.1
83.08597	29.7
85.10172	25.4
91.05465	14.6
93.07018	65.7
95.08051	11.2
95.08611	100.0
97.10136	20.1
106.74815	8.7
107.08585	55.7
109.10106	47.3
111.04463	45.8
121.06490	11.8
121.10178	24.2
123.11705	24.7
135.08046	15.1
135.11690	31.2
137.13286	15.7
149.09647	18.0
149.13214	13.6
153.09113	25.5
163.14832	18.9
167.10710	26.1
177.16373	11.4
181.12178	14.5
189.37773	8.8
195.13690	18.3
209.15472	12.2
223.16956	46.9
237.18419	56.7
251.19981	73.7
257.06744	9.0
265.21658	33.2
307.26175	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2842
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
54.91903	8.1
55.05497	24.6
56.60618	6.4
57.07056	16.2
67.05494	29.1
69.07055	39.8
71.08625	34.7
79.05512	11.9
81.07047	51.2
83.08604	21.0
91.05476	15.3
93.07049	23.6
95.08612	35.3
97.06490	9.5
99.08095	22.1
105.07035	16.6
107.08578	33.9
109.10160	22.6
111.08088	10.6
114.97739	7.6
119.08552	23.1
121.06480	11.0
121.10149	16.8
123.08086	57.1
133.10112	20.0
135.08049	12.0
137.09593	9.6
145.63524	8.7
149.09671	12.4
153.12807	15.3
179.14305	51.3
193.69954	11.0
219.23894	8.7
226.66869	9.2
241.90794	8.5
250.32979	11.7
251.20062	20.3
258.66653	9.0
293.20908	11.9
294.53723	9.3
295.97272	10.0
331.26239	66.2
349.27359	100.0
367.24405	16.4
367.28467	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	368.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57590	30.3
55.05495	39.6
62.02611	30.0
69.07066	54.0
70.06580	49.6
83.08607	44.4
100.11237	71.1
105.06998	32.0
115.13441	32.5
121.06495	45.0
178.88097	37.8
345.02774	69.9
368.04410	100.0
391.06244	77.8
391.78693	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	368.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22025	0.8
62.44552	0.9
69.07056	2.1
70.06589	1.5
78.10861	0.9
80.42461	0.9
86.09698	100.0
87.31705	0.9
91.71349	2.4
103.89159	0.9
121.06558	2.2
127.60398	1.1
132.10204	55.9
136.05913	1.1
138.09114	1.2
173.12852	1.0
219.59355	1.0
364.05869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86788	0.9
60.04484	1.1
65.03915	1.8
70.06554	2.4
71.81844	0.9
72.08120	1.2
78.72851	1.0
79.05499	2.8
79.37980	1.1
80.46479	0.9
81.07038	2.5
84.04465	1.6
84.08096	1.0
86.09681	1.4
86.94341	1.3
91.04922	1.9
91.05474	32.7
93.05711	1.1
93.07021	2.0
95.04954	3.5
107.04947	100.0
108.08115	11.7
109.06543	1.5
119.04945	14.6
120.08092	13.4
121.06463	1.6
122.09685	1.5
126.09138	18.1
132.08105	1.9
136.05136	1.3
137.05974	57.2
138.09123	14.1
160.07561	1.3
174.32062	1.1
232.13370	5.7
244.13344	3.6
261.13443	1.4
262.14337	15.1
327.59302	1.1
330.82834	1.2
368.18527	96.6
369.18762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79635	2.7
60.04523	4.4
70.06593	4.4
72.08148	3.8
81.07059	3.7
84.04527	3.6
84.08106	5.0
85.02837	3.8
86.09707	8.7
91.05478	33.4
91.71700	5.7
95.08591	3.9
99.47913	3.2
99.74255	3.3
107.04946	100.0
108.08134	11.3
119.04955	12.6
120.08104	16.9
126.09177	23.3
131.58226	3.1
137.05975	64.6
138.09151	12.4
169.68782	3.9
232.13290	5.7
262.14438	13.2
368.18616	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	17.1
57.18433	16.3
71.08632	19.1
79.05482	16.4
84.04506	100.0
86.09671	18.3
91.05462	51.2
95.08570	18.4
102.05554	21.0
105.07014	38.2
109.52621	17.3
119.08548	32.2
121.06445	23.4
122.38897	25.5
130.05000	60.0
138.24821	22.2
148.06100	34.0
203.14258	26.2
283.50177	25.1
283.82062	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	368.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47773	0.5
57.07066	18.6
64.84913	0.5
65.03925	0.7
72.86613	0.6
91.05469	100.0
107.04939	10.3
108.07424	1.2
108.08108	13.8
132.01126	0.6
132.08052	1.3
133.06476	0.6
149.05969	2.3
158.30943	0.6
163.11172	3.5
171.18777	0.7
178.08670	2.6
185.29941	0.6
197.09624	2.2
219.17422	0.7
256.13287	35.6
312.19553	34.8
336.46289	0.7
355.42026	0.8
368.25931	2.4
380.79660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51424	2.5
67.05487	11.9
77.68991	2.5
79.34230	2.6
81.07053	8.6
91.05467	100.0
95.08579	8.8
106.06523	5.1
108.08096	11.1
117.55058	2.9
123.11736	3.1
130.15872	4.0
132.08015	4.3
278.14673	3.2
368.38870	10.7
376.89655	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	368.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	1.6
57.29311	1.0
60.08146	1.3
61.46384	0.9
62.56679	0.8
69.03424	10.7
69.07045	1.4
84.08138	8.6
99.66605	1.1
112.07600	100.0
113.07944	1.4
130.08640	93.4
138.58308	1.2
151.95183	1.2
200.42992	1.1
214.47195	1.4
223.31265	1.2
272.37668	1.1
368.42529	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	368.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	16.9
60.08146	17.0
71.08624	8.9
76.04971	6.4
88.07619	11.2
188.60695	6.0
224.78996	6.1
256.26407	11.4
339.38583	7.0
368.38818	100.0
368.42642	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	42.5
69.07064	49.4
70.06612	36.0
76.88744	38.0
76.96049	33.6
77.55949	35.7
79.19054	39.5
83.81977	37.1
92.84621	45.5
105.06991	40.5
108.52761	45.5
119.08674	47.3
121.06516	91.0
160.45660	42.2
166.12311	86.7
174.47578	42.9
207.73474	46.0
220.38402	52.1
297.00760	51.1
368.04733	63.0
391.06174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57672	3.2
56.96560	100.0
57.35283	3.3
58.17545	2.9
58.72545	3.0
66.83519	3.3
70.06572	8.2
81.04539	5.7
97.31728	4.0
97.99190	7.0
120.08100	14.1
122.07120	20.4
123.07964	8.1
139.01805	5.5
151.65503	3.6
165.42413	3.8
176.03848	16.2
178.05383	18.3
190.33629	4.7
194.04901	5.3
196.06441	4.8
206.04807	4.4
217.06450	6.7
219.08028	16.9
222.04338	14.3
238.85162	4.5
240.05621	4.8
245.05882	25.0
249.13448	5.7
263.07147	11.7
286.08640	14.1
369.11801	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.152
Annotation	Drosopterin
Peak:m/z	Relative Intensity
53.50774	3.4
53.74535	2.9
70.06595	6.7
73.11929	3.3
85.02912	6.0
86.09753	3.7
97.27839	3.4
120.08099	4.2
149.47943	4.5
203.05287	5.0
316.44171	4.9
369.15131	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	369.152
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	25.1
86.09689	18.3
91.05458	12.4
93.79622	6.5
107.04929	20.5
120.08105	12.3
130.49498	7.6
137.05913	9.1
158.19266	7.9
189.08897	46.5
203.05247	100.0
208.42104	6.8
230.11543	15.0
244.07910	26.8
254.92831	9.4
265.08551	12.6
318.88403	8.6
369.15265	52.7
369.19040	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	369.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17551	0.7
54.35644	0.7
56.05386	0.7
67.05487	2.7
70.06577	1.6
81.88555	0.9
82.06580	5.0
89.99699	0.8
90.00255	0.8
91.05468	0.9
95.04962	1.1
98.06078	1.2
107.04958	4.1
110.06049	9.9
126.05515	5.5
130.10657	0.9
136.07576	59.0
139.45399	0.9
140.07036	1.8
156.06586	0.9
164.07059	100.0
180.52466	0.8
182.08122	72.1
184.66621	0.9
203.58083	0.8
245.05379	0.9
333.66391	0.9
336.64459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.73224	0.5
55.06802	0.5
59.61700	0.6
67.04237	0.6
67.05474	1.5
70.06592	1.0
82.06578	5.8
91.05450	1.5
91.70986	1.1
95.04887	0.7
96.99315	0.7
101.40414	0.6
110.06028	9.3
122.05991	1.3
126.05521	5.2
128.07089	1.3
136.07570	59.8
140.07062	1.1
140.52808	0.7
152.07039	0.7
164.07053	100.0
165.07407	1.2
182.08116	73.4
258.76593	0.7
285.61737	0.7
291.65796	0.7
301.12173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19651	2.1
54.41986	2.2
66.63182	2.4
73.99230	2.6
94.94254	2.7
132.38025	3.3
145.97731	3.4
151.49971	3.2
152.03163	3.2
207.70334	3.0
222.80762	3.0
337.57742	3.7
339.01346	3.4
369.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01621	11.2
55.05475	12.9
58.68131	15.1
58.99408	11.7
69.07034	13.2
70.64632	13.6
74.76308	13.0
81.07016	13.3
88.08213	14.6
91.71690	16.1
93.07043	16.3
107.96983	14.9
119.60575	12.2
120.99357	14.2
121.70184	14.2
133.12180	13.4
147.11606	13.7
165.81444	13.8
369.20242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90066	15.1
55.05505	21.4
57.07071	33.5
64.50100	14.2
64.84087	13.7
69.06726	14.2
69.07034	98.6
73.06553	26.8
87.04466	59.6
91.05443	32.3
92.53106	18.3
93.06995	22.7
95.04946	17.5
103.03918	100.0
105.07016	31.3
105.10291	17.4
111.11719	58.6
121.06510	51.2
129.10179	16.4
129.12770	71.1
133.06506	54.0
135.08067	32.2
145.06482	20.6
149.09631	32.7
153.57431	17.6
154.51697	17.5
177.09195	34.9
185.02376	20.7
187.11174	35.2
189.12645	18.3
190.95380	25.7
213.97014	22.2
243.17419	24.5
255.97984	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	369.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15626	8.1
54.65345	10.3
56.96546	9.9
59.56153	10.4
59.79226	10.0
60.61607	9.9
67.05498	20.0
68.30124	10.4
69.07052	26.8
72.43502	10.1
78.82342	10.5
81.07046	12.0
83.62273	9.4
84.08125	26.0
98.70473	11.6
101.09695	12.2
109.10159	19.2
137.35892	11.2
149.93904	9.7
159.28479	13.3
190.95389	15.8
221.94969	12.1
308.36407	13.0
369.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04034	1.4
52.73056	1.3
56.96545	1.9
57.59330	1.3
65.46394	1.3
69.86739	1.3
71.08627	1.3
81.80116	1.5
84.46615	1.7
91.05484	1.9
93.29684	1.5
95.08610	2.8
98.14069	1.5
100.56653	1.5
121.40025	1.6
139.48488	1.7
200.38568	1.8
267.77524	1.9
315.74155	1.9
369.29721	100.0
370.30548	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09912	0.7
54.03469	0.9
60.11476	0.8
62.08860	0.9
69.03403	0.7
70.06558	2.4
80.05014	1.3
81.04049	1.4
81.04534	26.6
84.08132	1.3
86.09694	4.5
91.05476	3.2
95.06106	0.9
100.07586	2.6
102.07454	0.9
107.06089	1.0
112.07607	1.0
113.39668	0.9
115.02140	3.1
117.03658	1.0
122.07146	100.0
123.07944	9.4
124.08706	2.2
128.07077	1.1
132.10168	2.4
137.05971	13.9
150.06618	1.3
154.08606	3.7
167.09251	1.2
196.06053	0.9
221.13992	3.8
231.12628	1.1
238.36102	0.9
249.13420	21.1
255.12538	1.0
283.12222	2.8
309.13898	2.4
325.13293	2.0
352.14584	1.3
370.15399	36.7
371.61227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48498	2.1
53.72889	2.1
55.05515	6.5
56.05028	5.4
67.05483	8.0
69.07058	34.8
81.07053	19.6
83.08615	7.4
84.04498	100.0
84.05009	6.1
86.01482	2.9
93.07037	8.1
95.08590	13.4
96.08089	2.3
102.05525	34.6
106.47147	2.4
107.08575	9.2
109.10127	13.4
111.11721	7.1
121.10164	4.9
123.11679	8.7
130.04996	43.7
135.11659	4.3
136.97093	2.6
148.06038	91.2
149.13275	10.3
161.04189	3.0
177.00618	2.6
205.19560	4.8
223.20663	4.9
370.26019	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	370.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79134	0.5
55.05493	1.9
57.07058	1.0
65.03922	2.5
67.05491	2.4
69.07072	3.0
74.29350	0.6
80.52504	0.6
81.07047	2.9
83.08604	2.2
91.05472	100.0
95.08582	2.0
96.04447	0.6
97.10171	1.0
104.17185	0.6
104.18063	0.6
106.06568	2.1
106.61074	0.6
108.08101	10.0
109.10140	1.2
117.07046	0.9
122.77839	0.6
123.11755	0.6
132.08083	1.5
133.10141	0.7
204.13841	1.0
214.21516	0.7
218.15393	0.8
349.36838	0.8
370.31046	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	370.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38498	1.2
55.05509	2.0
57.07093	1.6
61.85974	1.3
67.05499	3.2
69.07064	3.1
73.82045	1.6
81.07054	3.2
82.62015	1.7
86.09723	1.9
91.05473	100.0
94.08653	1.6
95.08617	2.0
106.06565	2.7
108.08120	10.3
200.29204	1.8
219.08630	1.9
350.01263	2.0
370.31097	9.0
381.84647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.7
57.07055	2.6
67.05474	3.2
69.07051	5.6
70.06583	26.7
73.04765	1.3
73.58650	1.2
73.64050	1.2
79.05492	1.3
81.07043	5.0
83.08603	3.3
84.20158	1.3
88.07619	65.2
91.05785	4.4
93.07053	3.1
95.08611	2.4
97.10188	1.8
102.03770	1.2
106.08658	100.0
110.15637	1.2
114.07374	8.3
130.36749	1.5
157.66013	1.3
207.31516	1.5
293.24738	5.4
309.27905	5.2
329.93436	1.7
351.44073	1.4
352.31909	2.2
355.06949	2.9
370.32925	13.1
370.40576	2.1
379.51672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	87.1
70.06579	89.9
70.36367	52.5
70.85382	49.6
72.03503	60.9
72.83200	56.6
80.46077	61.2
88.46638	64.2
113.91488	68.4
114.07368	79.2
128.44481	67.6
137.06058	86.3
152.12921	64.3
167.76793	66.6
182.20685	64.5
371.07153	100.0
384.25415	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17554	3.6
55.05485	9.9
62.47575	3.5
67.05492	10.5
69.03405	6.3
69.07052	16.2
70.06580	12.6
71.03669	4.1
71.04992	3.8
79.05492	6.7
81.03406	8.1
81.07040	39.4
83.08595	7.6
86.09682	10.1
89.68915	4.0
91.05484	8.8
91.90298	3.9
93.07041	39.6
95.08592	13.2
105.07035	15.1
107.08578	100.0
107.09269	7.0
109.02877	6.5
109.10142	23.4
120.65103	4.1
121.10146	64.5
123.11700	90.4
127.03920	13.7
149.13235	36.7
167.14330	16.1
187.26701	4.6
193.07674	5.1
212.50682	4.3
214.80339	5.1
238.10220	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56693	1.5
59.79543	1.5
60.05338	3.6
60.05643	59.5
70.06586	72.0
71.04987	9.8
72.08152	11.0
75.43192	1.5
88.07655	2.4
91.71104	2.7
93.07014	2.1
97.07640	4.8
98.06081	2.5
107.04955	5.7
112.08710	5.0
113.07117	2.5
114.10310	6.2
116.07088	12.3
120.08089	2.1
121.06503	8.3
124.32076	2.1
130.06520	2.4
130.09769	44.2
132.08136	3.0
142.08304	2.0
157.08900	2.0
158.09238	11.6
159.10425	41.8
160.11304	2.6
161.12027	4.5
174.12784	2.3
266.15378	94.0
267.15771	3.2
268.16968	5.8
312.15933	20.8
354.18115	2.3
355.78952	2.1
355.84253	2.1
371.20761	100.0
372.62033	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48922	2.5
56.70558	2.8
56.90589	2.5
62.78754	2.9
70.15098	3.7
91.05444	3.5
105.07039	4.5
114.93069	3.4
118.88919	3.2
302.65894	4.1
371.21875	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	371.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	29.1
56.05032	2.7
57.07070	5.2
57.96738	2.1
66.18630	2.1
69.07071	4.6
70.06580	26.4
72.08151	13.4
75.94901	2.1
82.06586	9.5
83.04988	8.7
83.08606	17.7
84.04520	4.6
84.08124	12.5
86.09730	10.2
86.26845	2.2
98.09726	6.3
100.07609	42.5
100.11237	55.9
107.04996	3.0
111.04421	35.2
111.05064	2.5
112.07648	8.9
116.66138	3.3
126.09167	6.8
127.71346	2.7
128.07071	39.7
128.07974	3.1
129.05510	2.9
129.10168	4.6
140.06161	2.8
140.07109	11.3
168.02469	2.5
169.13599	2.7
182.15378	77.5
188.78168	3.3
209.16429	12.4
210.14871	100.0
227.17503	24.4
228.16045	8.0
244.20128	22.1
308.81638	2.9
336.22876	7.8
337.21118	29.5
354.23825	50.6
360.20609	2.9
371.26514	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	58.6
56.65242	11.4
57.03423	38.9
57.07057	42.4
61.02912	13.7
63.70558	10.6
67.05490	52.5
69.07053	97.9
71.08620	16.0
73.43332	11.7
76.72588	9.8
77.22421	10.7
79.05486	23.1
81.07039	100.0
83.08612	73.3
93.07033	39.8
95.08595	73.6
97.10149	33.0
97.39494	11.5
100.38129	10.7
107.08593	34.0
109.10152	35.4
117.05510	74.1
121.10130	26.7
123.11700	21.9
135.11713	18.9
159.29514	11.5
219.21054	18.6
237.22093	55.4
247.71001	11.3
250.97734	12.1
254.18842	12.9
281.79483	12.5
286.51920	12.8
311.25671	33.2
346.45224	14.1
353.27240	13.5
371.27924	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98177	0.7
51.29502	0.7
55.05500	1.8
57.06801	1.0
57.07069	15.9
58.06578	3.9
61.05275	0.8
67.05487	3.6
69.07050	4.3
71.08623	12.5
81.07044	5.2
83.08607	2.1
83.49631	0.9
85.10170	4.8
85.62532	0.9
91.71153	1.2
92.70465	0.9
95.08604	6.2
97.10106	1.1
100.34361	0.9
104.73671	0.8
109.10167	3.4
111.01350	1.0
123.11707	1.5
211.20578	1.2
268.26331	100.0
269.26736	1.5
320.49597	1.3
339.17825	1.0
371.32602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1804
Annotation	Cardionidine
Peak:m/z	Relative Intensity
50.17996	1.1
56.96552	2.3
57.07048	1.5
65.53114	1.1
69.07041	1.8
91.05496	1.6
93.07092	1.6
103.93590	1.6
107.04950	22.2
118.06538	2.6
121.06547	2.4
126.61266	1.5
130.06520	7.6
144.08090	4.8
145.05231	2.8
146.06017	6.9
158.06006	5.7
159.06764	8.9
160.07547	1.5
172.07553	19.2
178.07803	3.6
179.08563	4.7
184.07512	1.6
195.61115	1.5
207.08064	9.8
214.12155	1.8
222.09113	1.7
224.10649	3.8
225.09169	3.4
230.96240	1.7
231.04335	1.7
234.09154	7.1
236.10762	2.4
237.07860	3.4
238.08667	3.5
247.09970	2.1
248.10649	8.2
252.10185	15.8
265.11011	4.1
266.11697	14.0
280.16815	2.5
290.15359	19.9
294.11407	4.6
308.16425	100.0
309.16858	2.1
326.17465	18.3
354.16971	23.6
372.24149	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	372.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.9
70.02972	0.8
70.06583	100.0
71.06915	1.2
71.58270	0.8
72.08141	0.8
72.10178	0.8
73.01871	0.7
84.04487	1.3
84.08139	1.3
84.24951	0.8
86.09728	1.2
87.05595	0.9
94.06464	0.8
96.04492	3.0
99.05547	1.7
121.06513	1.3
125.50470	0.9
129.10234	1.5
141.06616	5.9
152.03500	1.4
152.07106	1.4
169.06123	2.7
186.08748	3.2
187.10776	47.1
197.09088	1.5
198.00754	1.3
208.80417	0.9
267.09958	1.0
297.72311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66147	1.4
52.66123	1.2
52.87847	1.3
68.05027	2.1
70.06583	100.0
84.04504	4.4
86.06066	4.4
86.09718	2.5
91.05494	2.5
93.07104	2.4
102.05537	2.1
103.05497	2.4
107.04945	30.5
107.05585	2.1
107.07356	8.9
113.07132	20.8
113.07719	1.8
114.05571	3.6
120.08155	5.1
121.06488	15.0
124.93300	1.6
128.84221	1.8
130.05034	2.5
140.03961	1.8
144.08139	3.5
146.06049	4.9
159.10419	10.1
172.11224	2.6
198.41243	1.7
213.11510	2.6
214.12332	2.4
215.11894	5.2
237.30298	2.0
240.10210	5.7
266.15305	19.3
267.33441	2.1
308.87381	2.0
309.15973	24.4
311.17599	4.1
312.16013	3.0
355.16492	55.9
372.19293	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	372.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	82.2
74.90587	9.8
79.37982	9.1
83.13305	9.9
97.99158	14.1
107.91862	9.9
117.49914	10.2
136.47826	10.8
186.87622	12.9
194.90598	11.7
282.17413	22.7
298.20541	12.5
300.22128	16.9
305.19016	29.7
308.50891	12.5
312.22052	14.7
330.23312	19.0
334.08804	11.5
346.21713	19.4
351.23080	16.8
353.24820	42.2
372.24243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01065	9.2
53.72657	8.9
55.05497	35.7
56.84776	9.0
70.06574	51.3
71.04973	11.3
72.08148	11.9
72.77594	8.7
75.33741	9.0
83.08616	15.6
84.04497	13.8
84.08111	12.3
85.02890	14.3
86.09711	79.3
88.47779	9.2
91.70972	23.8
92.76978	10.9
100.07631	26.6
100.11246	61.6
110.07142	19.8
111.04435	43.2
112.07556	18.4
116.22950	10.4
120.08086	15.9
128.07056	15.2
140.07079	13.1
157.13400	16.7
164.14566	11.1
172.03909	15.4
182.15390	83.5
204.02776	15.9
210.14845	100.0
211.83875	11.8
227.17598	18.5
228.15930	14.5
230.45697	12.2
245.18669	17.4
337.21249	34.3
354.23975	20.4
355.22153	16.7
372.24734	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	372.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16215	5.2
55.05494	5.7
57.07057	12.1
59.69120	5.3
60.04520	28.6
61.23375	5.2
65.25735	4.8
69.07049	11.1
70.06540	5.0
71.08617	6.0
77.12743	6.1
78.01085	6.5
81.07051	13.4
87.04485	5.9
90.07056	4.9
95.08634	7.3
97.10098	5.4
111.44707	6.2
148.11311	5.3
181.22377	5.8
233.52963	6.8
243.34460	5.9
295.23413	5.7
297.70880	6.2
303.38986	6.4
305.60599	7.2
330.29233	13.0
372.25812	11.4
372.30215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
57.07059	1.3
65.03925	2.2
66.33823	0.5
67.05506	0.7
69.07050	0.9
80.47813	0.6
81.07061	1.4
83.08611	0.9
91.05474	100.0
92.05807	1.1
95.08609	1.0
108.08112	6.1
132.08083	1.3
143.38716	0.6
176.88084	0.6
222.54375	0.6
269.15997	0.7
331.21613	0.7
372.32553	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	373.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04481	1.8
88.88184	1.9
107.04936	16.0
113.94740	2.2
118.06570	5.0
128.04922	2.9
129.05750	5.1
135.04428	2.9
146.06013	9.7
156.04459	2.8
157.05225	20.6
163.98845	2.0
167.08565	4.8
172.07571	7.4
174.05418	3.2
177.06999	3.4
179.08629	2.4
194.07364	3.8
195.08083	5.4
198.05467	2.5
204.08052	4.4
222.09097	23.9
240.10229	9.8
246.09216	2.9
248.10715	5.4
249.08017	2.6
250.08606	50.9
264.10165	100.0
266.11777	9.0
268.09650	4.9
274.08572	8.5
281.12640	3.6
292.09732	13.4
296.09125	11.3
307.45178	2.2
309.08981	1.8
309.12274	51.2
310.10776	3.4
327.13391	25.1
338.10233	3.2
355.12851	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	373.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95537	0.6
65.03925	1.2
70.06557	2.7
70.50717	0.6
72.08155	1.0
84.04507	1.3
84.08118	2.3
85.02862	0.8
86.09689	6.5
89.03899	2.7
94.06570	0.7
106.06564	0.7
116.04965	10.6
118.06491	0.7
118.44277	0.7
120.09872	0.7
121.80029	0.8
129.10265	0.9
132.10240	1.0
134.06021	7.1
136.07564	4.9
144.04437	23.3
145.11310	0.7
146.05983	2.0
157.07596	2.1
162.05495	7.1
164.07036	3.6
172.03926	72.0
173.04182	0.8
179.05565	1.2
190.05009	3.4
204.06543	100.0
205.06837	1.4
241.28696	0.8
309.81799	0.7
355.12701	2.3
362.93271	0.8
373.13638	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25300	3.0
66.15188	4.0
69.04159	3.5
91.05492	4.2
93.07039	6.1
95.04977	4.6
104.04974	6.0
120.04453	8.5
120.08159	4.2
147.60860	4.0
148.07574	10.6
160.03957	17.5
188.03413	44.2
206.04539	7.7
225.10143	5.4
266.05081	5.1
267.11322	5.5
295.10776	10.3
323.10214	100.0
355.12845	21.6
391.31943	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.03415	1.2
57.58453	0.8
63.35776	0.8
65.03924	1.5
69.03427	6.4
72.77769	0.8
73.47527	0.8
79.05486	3.4
81.03399	2.2
83.04954	2.1
91.05473	41.0
93.07013	1.7
95.04943	1.8
100.56754	1.0
103.05457	3.5
105.03386	1.1
105.07024	100.0
107.04900	1.6
119.04926	5.4
121.06505	2.2
147.06529	1.8
169.13788	1.0
194.66762	1.1
201.28123	1.1
214.60297	1.2
257.58755	1.0
283.73859	1.2
301.08002	1.0
315.94354	1.1
389.64566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12300	2.1
55.05504	26.5
57.07087	2.4
58.12276	2.5
70.06580	8.2
76.32092	2.5
76.83778	2.9
81.07043	5.0
82.06557	6.1
83.04975	9.7
83.08606	21.6
83.10134	2.8
83.95011	2.7
84.08157	5.2
84.13863	2.7
84.58559	2.6
86.09705	34.4
98.09682	3.4
100.07608	20.0
100.11246	69.8
101.06044	4.3
111.04429	31.2
112.07621	6.8
114.09177	3.8
126.09148	8.5
128.07086	22.9
140.07109	6.6
157.13409	8.7
182.15411	87.2
185.12831	7.0
188.79803	3.1
189.12268	5.4
209.16547	4.6
210.14888	100.0
210.16919	6.1
219.10973	3.4
219.36380	3.5
227.17491	5.4
228.15970	31.7
238.60153	3.0
245.18567	5.2
245.69083	3.9
337.21201	51.6
355.22165	42.3
373.23480	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	373.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10143	4.8
55.01857	24.7
55.05501	13.0
57.03419	17.9
67.05496	59.7
69.07055	18.1
79.05486	72.1
81.07047	45.7
83.04971	15.0
91.05465	100.0
93.07031	88.8
95.04945	27.2
95.08602	37.5
97.06545	13.5
103.05458	8.9
105.07005	57.8
107.04938	13.0
107.08553	31.4
107.20940	6.1
109.06547	6.2
109.10160	7.3
117.07027	38.1
118.46122	6.6
119.08604	34.7
121.06490	21.0
121.10141	24.9
123.08049	12.7
128.06233	6.6
129.05473	7.0
129.06995	24.8
131.08536	56.6
133.06490	13.8
133.10117	33.0
141.06996	15.0
143.08533	13.7
145.06429	7.9
145.10114	23.3
147.08060	9.5
149.09616	20.2
155.08559	22.5
157.10132	11.6
159.08060	17.2
159.11644	8.0
161.09654	11.5
169.10162	9.3
171.11702	18.2
173.09700	9.7
173.13367	8.7
183.11710	12.0
187.14771	10.2
189.12689	9.6
197.13252	15.5
213.12631	7.1
215.14290	20.0
281.19293	6.3
312.21368	8.4
373.23581	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	373.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01862	28.0
55.05516	21.5
57.03442	24.7
60.43177	4.8
64.17106	5.0
67.05499	66.3
67.05786	6.1
69.07079	14.4
71.04984	5.4
76.40497	4.5
79.05484	69.8
79.40993	4.9
81.07046	59.4
83.04987	11.7
83.08645	6.1
91.05470	100.0
93.07043	83.4
95.04987	24.4
95.08610	40.0
97.06523	10.4
100.93834	6.2
105.07037	79.6
107.04967	17.2
107.08588	34.5
108.69176	7.1
109.06525	8.2
109.10157	8.7
115.05549	6.6
116.06243	6.5
117.07014	42.0
119.08586	31.6
121.06549	18.6
121.10153	30.5
123.08086	13.2
128.06273	10.7
129.07001	35.8
131.08559	54.4
133.06549	15.2
133.10147	31.8
135.08061	10.1
141.07036	12.9
143.08617	22.2
145.06482	13.5
145.10170	19.9
147.08075	9.4
147.11760	10.9
149.09685	26.4
155.08597	17.4
157.10161	14.1
159.08086	16.4
159.11732	12.6
161.09610	7.6
161.13335	11.4
169.10188	18.4
171.11774	20.2
173.09688	13.1
177.12837	8.5
183.11731	6.4
187.11115	7.3
187.14899	17.1
189.12828	6.4
197.13348	15.8
201.12865	9.1
207.11641	6.2
215.14433	26.8
281.19006	11.7
299.20129	13.1
373.23663	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	373.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.5
55.05492	16.8
56.11497	6.8
56.96558	14.9
57.03430	82.7
58.29079	8.6
62.75690	8.3
62.95107	7.9
67.05492	74.4
79.05480	42.6
79.76546	8.6
81.04565	9.2
81.07037	45.6
83.08566	9.3
85.06518	15.7
91.05460	100.0
91.71652	18.5
93.07034	57.6
95.04938	16.9
95.08608	29.7
96.09531	9.0
97.06516	11.5
98.40849	8.5
105.06995	61.1
107.08556	29.8
109.06526	27.7
111.08071	13.5
115.05421	13.7
117.07008	95.9
119.08580	35.1
121.10101	20.5
123.08064	10.2
128.06242	17.6
129.07001	49.2
131.08556	58.3
133.10086	10.6
135.07997	13.8
141.06990	16.9
143.08553	48.3
145.10159	32.8
147.11766	11.4
149.09644	12.4
155.08519	17.8
157.10121	16.0
159.11696	19.5
169.10110	10.2
170.04308	10.0
171.11661	16.5
173.13297	14.1
183.11784	15.1
197.13284	14.3
213.16519	14.1
226.66177	10.2
254.30360	12.1
288.12253	13.4
373.23441	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	30.4
55.05499	32.4
57.03430	56.1
58.70746	7.7
61.27153	8.9
64.27245	8.8
67.05493	67.5
69.07028	10.2
69.83522	9.1
71.04974	36.1
72.97137	7.6
73.07217	10.4
79.05498	54.4
81.07044	40.5
91.05465	100.0
91.71687	8.7
92.96342	8.4
93.07028	54.0
95.04975	18.2
95.08599	68.9
97.06529	14.1
105.07045	52.4
107.08585	27.4
108.44160	8.7
109.06506	17.4
115.05438	22.1
117.07019	55.4
119.08586	32.0
121.10153	20.2
128.06232	26.7
129.05495	32.1
129.06984	78.5
131.08539	47.7
133.10117	32.0
133.73598	9.5
141.06996	31.7
142.07736	20.1
143.08566	52.5
145.10094	36.1
149.09695	12.4
155.08562	51.8
155.26524	10.2
157.10162	46.1
159.11713	12.0
161.09663	9.9
162.91939	10.4
167.08598	28.2
169.10120	23.6
171.11658	22.3
181.10094	21.2
183.11635	25.8
185.13261	17.1
187.11156	13.2
195.11754	10.8
197.13232	18.4
199.11179	15.8
207.11703	21.0
209.13254	15.4
224.45721	12.6
226.79475	10.2
239.17950	21.1
263.17938	18.2
281.18964	38.6
373.23654	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	373.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14758	1.7
54.49313	1.7
56.94629	2.2
61.20369	1.7
70.06585	11.7
72.08124	3.9
79.60188	2.5
83.30154	1.8
84.04472	3.0
84.08142	6.8
86.09696	100.0
104.34644	2.4
120.08097	4.8
132.10185	2.2
157.13336	19.0
172.03908	5.2
185.12846	12.6
188.91122	2.7
189.12376	12.5
204.06581	5.3
253.82355	2.6
303.89282	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52993	2.4
50.93188	2.3
51.52619	2.0
63.02044	3.1
70.52296	2.7
74.89526	2.6
99.00821	2.9
107.04945	40.8
118.06590	8.8
123.68122	2.7
128.04965	3.5
129.05827	8.4
130.06477	2.8
133.05319	3.6
145.05273	3.2
146.06023	24.9
156.04446	3.1
157.05212	31.3
158.06035	4.6
159.06834	6.8
160.07538	2.9
170.06053	3.5
172.07574	18.8
181.06589	2.9
195.08109	4.6
204.08144	4.1
207.08063	4.1
216.06587	3.0
222.09087	19.0
232.07790	3.9
239.09517	3.8
240.10143	26.0
242.90686	2.8
248.10725	8.6
250.08679	62.0
250.84331	3.1
251.84100	3.0
262.07312	2.7
264.10178	100.0
264.12860	6.5
266.11765	20.0
274.08646	5.1
292.09549	19.4
296.09158	22.6
310.10739	33.7
328.11914	8.4
338.10309	6.7
356.11255	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
70.06575	1.1
84.08126	1.7
86.09699	0.6
91.05463	3.9
93.07030	6.7
95.04998	2.3
103.05454	4.2
107.00256	0.6
121.06498	100.0
122.06866	0.7
126.09193	0.5
128.46669	0.6
129.10281	0.6
138.09135	23.7
164.07098	0.9
199.70625	0.6
220.02345	0.5
221.84950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10071	1.3
61.02923	1.4
68.48460	1.7
69.03130	1.1
69.03415	6.4
70.06594	2.2
71.04996	1.7
80.27300	1.2
81.03441	2.6
84.08170	3.2
85.02895	20.2
85.03361	1.6
86.09715	1.9
89.03899	7.1
90.08036	1.2
91.03986	1.3
91.05521	1.5
97.02914	4.3
117.03359	12.0
119.99782	1.2
127.03914	1.9
129.65649	1.2
135.04463	2.3
145.02834	29.1
145.05028	3.4
149.05965	8.6
158.06082	2.2
163.03967	3.2
177.05458	100.0
178.05797	1.4
186.05510	17.9
192.04883	1.5
195.06502	45.2
212.66205	1.6
250.25729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45991	0.6
57.03423	0.9
69.03418	3.1
70.06572	3.0
72.08121	1.1
73.02888	1.5
81.03412	0.8
84.04498	2.2
84.08123	1.4
85.02893	9.3
86.09705	4.9
88.07599	1.6
93.70564	0.8
94.04161	1.1
97.02878	2.4
107.04939	1.9
113.57925	0.8
120.08074	1.2
122.03622	2.4
137.05968	100.0
145.04955	1.3
172.08641	1.1
180.08636	1.4
195.10226	2.9
215.13965	0.9
243.08815	2.2
272.92554	1.0
375.12659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	43.5
68.83533	4.2
71.04987	4.7
74.97030	4.2
78.26603	4.4
91.71702	5.6
110.97536	6.0
118.28417	4.7
128.98619	11.6
131.23198	5.1
146.99654	11.7
152.00217	10.9
170.01251	9.1
196.10579	6.2
196.54082	5.1
286.11255	9.8
315.16241	36.7
333.17429	31.1
356.18939	100.0
361.73740	6.3
374.19995	21.3
397.21729	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	374.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13777	1.7
68.64526	1.8
86.50895	2.0
91.05473	60.1
93.07146	2.1
105.07042	2.4
106.06558	3.4
119.08586	17.9
133.10109	4.7
135.08055	7.4
137.09610	24.6
149.09593	3.6
149.13300	6.0
161.09668	6.2
177.12737	100.0
181.10043	2.6
198.12781	42.6
357.45450	2.1
374.24753	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36115	0.5
57.07067	1.9
65.03922	2.1
68.70229	0.5
71.08633	1.0
71.29426	0.5
81.07035	0.9
82.28462	0.6
84.62489	0.6
88.99570	0.7
91.05474	100.0
91.43929	0.6
92.05803	0.7
95.08580	0.9
132.08080	1.0
174.43831	0.7
195.97066	0.7
246.54175	0.7
311.34921	0.6
313.53516	0.7
374.34134	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
55.05485	0.8
57.06803	0.9
57.07068	12.2
58.06577	3.8
58.06810	0.6
59.91840	0.6
65.83867	0.6
70.06584	31.7
70.61469	0.7
71.08620	4.1
72.08141	1.3
81.95728	0.7
85.10145	1.5
85.30975	1.3
88.07622	38.7
96.58385	0.8
102.09169	23.4
108.68107	0.8
131.26973	0.8
132.10201	1.9
136.70036	0.8
146.11758	1.7
148.06216	0.8
150.11241	1.0
199.65071	0.9
212.46959	0.9
255.56197	0.9
268.30344	1.0
286.30994	1.3
297.45001	0.9
312.29709	0.7
312.32559	46.7
356.35217	3.3
374.36264	100.0
375.36517	1.5
397.81149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	93.4
57.34824	6.1
70.06609	11.8
84.08155	11.0
87.93129	8.8
97.01054	7.8
98.97582	15.9
107.04954	44.5
109.06557	31.2
110.74862	7.8
116.98640	15.4
130.72845	8.9
134.99712	11.8
137.05995	12.3
140.00237	14.2
158.01288	16.1
165.02245	19.0
167.00273	14.6
183.03308	51.3
188.26788	8.3
195.54910	8.5
196.50739	8.0
201.04280	48.7
206.04880	66.4
208.02805	10.0
223.02818	9.7
224.05998	37.6
225.04457	13.4
244.61472	8.8
245.03329	10.8
246.04256	41.6
247.07607	32.9
250.03929	12.1
266.07156	28.7
268.05072	11.5
271.06641	30.2
289.07428	45.7
291.06409	19.3
294.08197	8.8
310.05975	15.8
312.09006	100.0
330.10339	8.8
333.06461	21.2
335.11053	11.0
343.25729	8.9
356.08035	62.3
375.16208	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	375.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
78.46524	3.4
99.67049	4.0
102.31969	4.0
131.34917	4.1
132.15279	4.5
154.40987	5.7
171.81146	4.9
200.92262	3.7
206.19583	4.7
224.48868	4.4
293.02969	7.4
311.04089	5.0
329.05075	33.9
334.05850	15.4
347.06113	11.2
351.08551	5.1
352.06647	57.3
375.08218	100.0
376.08661	8.3
397.89841	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	375.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	5.9
66.50717	6.3
67.41356	5.8
69.94281	6.5
70.06567	11.1
70.78038	6.0
72.08127	13.3
84.04543	8.0
84.08120	11.9
86.09701	39.3
119.88923	6.1
124.16574	6.4
181.55627	7.9
313.11511	18.0
357.10602	51.0
375.11719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59753	3.2
55.01885	4.4
55.36967	3.4
58.06607	5.5
58.77073	4.1
65.03929	22.2
69.03413	7.8
69.23912	3.6
70.06583	9.7
72.08144	4.5
73.02911	11.1
73.88915	4.1
84.08109	6.2
85.02882	5.0
85.04794	4.3
86.09694	14.1
91.05497	4.4
94.06528	7.1
95.31555	4.2
97.02892	11.5
108.08099	8.1
120.04482	10.7
123.78695	5.0
135.66441	5.1
138.05508	5.0
144.04395	7.3
146.06006	12.3
148.03909	82.3
150.05496	25.8
152.07056	10.3
166.04994	71.4
172.03931	30.5
172.08694	11.0
180.06601	10.4
190.04958	100.0
216.07698	7.0
243.08862	29.6
271.10684	9.6
296.23822	6.3
297.08694	6.2
313.11667	6.3
315.09802	40.3
321.22491	5.1
333.10846	19.6
342.87155	5.5
357.11612	19.6
375.12772	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26369	3.3
55.01861	8.5
57.03421	15.5
61.02893	5.9
61.39588	3.9
65.03930	12.3
69.03413	30.4
70.06587	13.8
72.08147	5.7
72.45140	3.9
73.02907	27.1
85.02910	32.8
86.09690	10.3
91.99243	3.8
97.02884	46.7
108.08126	6.1
115.03936	10.3
137.05983	20.8
138.06331	9.8
144.04407	6.9
146.05957	5.1
148.03912	63.9
150.05527	8.8
152.07043	7.5
166.04942	34.4
172.03912	14.8
172.08667	43.8
180.06584	6.4
186.10248	5.9
190.04974	68.8
198.06630	6.3
214.09816	9.3
216.07718	17.3
238.51111	5.4
243.08717	82.7
260.10294	6.0
260.12927	5.0
268.19250	5.4
271.10690	7.7
285.09726	19.1
315.09665	29.5
333.10812	17.1
357.11905	41.0
375.12918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48983	6.5
67.05490	9.4
67.28782	8.6
69.07067	42.7
70.06599	32.2
72.08157	30.1
81.03430	11.5
84.04501	10.0
86.09705	69.7
91.05479	10.2
93.03433	14.8
96.04518	8.2
129.10213	11.1
136.07599	13.8
140.30263	9.0
148.04070	14.1
148.07777	9.1
154.01401	16.9
156.28741	10.5
159.11346	8.8
160.51048	9.5
162.09138	13.2
204.10352	18.5
208.09799	13.3
222.11317	11.9
226.01198	9.3
250.10945	31.8
268.08237	18.9
281.89786	10.9
296.11472	36.2
357.13031	34.2
358.11282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	12.0
70.06602	2.2
74.83986	1.8
76.79745	2.1
79.05508	3.4
80.05022	1.8
80.70198	2.2
80.73959	2.1
83.50834	1.7
84.01881	1.7
91.05434	5.2
92.05017	5.3
93.05873	1.8
93.07041	21.4
95.04982	5.5
103.05502	4.8
116.04980	3.1
118.06531	4.5
118.56171	2.0
120.04460	14.5
120.08099	17.6
130.06500	4.3
133.05292	2.3
136.07571	2.7
138.05545	6.6
144.04439	7.1
148.03923	85.8
148.07570	36.4
149.80876	2.1
166.04985	39.7
166.08691	3.2
170.71159	2.6
172.03941	33.2
190.05028	6.4
204.06548	43.7
255.11359	5.3
283.10754	100.0
297.12369	3.0
301.11829	3.7
305.88293	3.1
325.11783	41.9
339.13321	33.1
357.14398	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46506	1.8
62.80640	1.9
66.34130	1.5
67.05468	2.3
77.44102	1.8
81.07056	2.6
81.18416	2.0
82.09819	1.9
91.71043	2.2
95.78347	1.7
100.79305	1.9
102.14238	2.1
375.21375	100.0
397.33853	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	375.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	7.0
55.78864	5.1
57.03206	4.4
57.03432	41.0
57.07072	5.9
61.88887	5.3
67.05501	32.8
69.07049	14.4
70.06582	6.7
71.04986	100.0
75.04458	10.1
79.05458	16.8
81.07040	16.2
85.06530	12.2
87.26186	5.2
91.05473	10.3
93.07034	21.3
93.24467	5.4
95.08598	11.6
97.06527	9.2
102.05561	6.3
103.07572	12.2
105.07022	7.1
107.04028	5.6
107.08601	15.0
109.10171	9.6
135.11696	27.6
145.08595	10.2
153.12729	8.1
159.10446	5.6
171.13741	42.1
186.15192	6.6
255.15947	14.6
263.41907	6.9
273.16937	25.4
375.23889	10.9
398.15607	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	375.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01663	7.1
51.94624	7.0
52.04450	8.7
56.74290	8.7
65.39391	7.6
66.86217	8.5
78.38635	7.6
81.07059	11.5
81.95799	8.2
91.05460	24.6
93.07024	18.4
95.04974	14.4
95.08616	11.4
102.48094	8.7
105.07034	17.7
118.12317	9.0
119.08566	13.1
119.44205	9.8
121.10104	12.3
145.10117	10.2
155.36401	9.6
242.88916	10.9
293.45392	12.5
343.22406	100.0
377.52460	11.9
381.19003	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	375.2528
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
53.18195	14.4
54.65825	16.2
57.91170	17.2
60.56967	15.9
67.05482	70.1
69.07064	19.3
72.77792	20.9
75.04429	17.0
79.05482	29.1
81.07028	100.0
91.05467	71.0
93.07047	59.9
95.05006	21.7
95.08598	54.9
98.29261	20.2
105.07022	41.7
107.08604	47.2
109.10127	18.1
110.62838	18.0
112.08752	19.2
117.07014	22.4
119.08617	78.9
121.10154	28.7
131.08534	37.2
133.10118	24.8
135.11678	24.7
145.10101	34.6
147.11661	22.9
159.11702	37.6
165.29700	19.3
175.14879	24.6
189.16359	20.2
199.14914	23.6
223.14534	21.1
339.23187	23.7
357.24432	27.4
375.25256	87.6
384.00772	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.8
55.05492	27.0
57.03422	23.7
67.05498	76.4
67.36227	8.2
69.07069	20.7
71.04987	16.7
73.02880	7.7
79.05496	47.1
81.07041	55.8
87.04471	12.3
91.05468	100.0
93.07027	69.7
95.04970	11.0
95.08607	38.7
105.07011	49.2
107.08566	20.7
109.06539	10.2
109.10153	9.6
109.21033	8.1
113.03359	8.8
117.07006	80.2
119.08578	43.9
121.10109	16.5
128.06265	12.8
129.05476	29.5
129.06990	56.3
130.07764	7.9
131.08557	95.7
133.10109	30.7
135.08087	16.0
135.11678	9.7
141.07018	23.5
143.08537	27.9
145.10129	35.3
147.11723	17.0
149.09544	14.1
155.08597	21.5
157.10158	34.0
159.11700	25.9
161.13240	12.0
167.08551	11.6
169.10149	19.5
171.11702	29.3
173.13312	25.9
181.10161	30.2
183.11707	15.0
185.09793	10.6
185.13307	15.3
189.12863	8.8
195.11649	13.5
196.76140	9.7
197.13269	12.7
199.14856	20.9
209.13269	12.8
213.12741	15.7
223.14893	13.9
223.37065	8.2
227.14285	9.5
239.17943	16.2
241.19592	16.3
255.21040	10.1
259.56137	9.2
265.19647	33.1
282.84360	8.6
283.20529	60.6
306.59406	8.9
317.83197	9.5
357.24142	9.7
375.25394	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.5
55.05492	15.7
57.03401	6.6
62.12037	4.9
67.05501	35.7
69.07052	20.3
71.04990	17.1
79.05477	26.3
81.07056	35.6
83.08603	7.3
91.05481	64.6
93.07019	19.8
95.04958	12.7
95.08605	37.7
99.80209	6.1
102.76694	6.4
105.07031	32.7
107.08572	14.3
109.10181	8.7
117.07007	100.0
119.08558	28.6
119.54446	7.1
121.10175	8.3
128.06195	11.9
129.05467	14.1
129.07005	52.5
131.08571	63.2
133.10155	22.4
135.11646	6.7
141.06999	14.9
143.08572	32.5
145.10144	28.3
150.77347	6.2
153.07091	7.8
155.08614	16.7
157.10162	22.0
159.11699	18.7
165.96657	7.2
167.08575	10.9
169.10085	20.1
171.11705	28.4
173.13274	12.2
181.10158	12.9
183.11781	10.1
185.13252	32.1
187.14761	14.8
195.11784	20.4
197.13254	11.2
199.14877	23.5
209.13290	15.5
223.14854	9.2
241.19531	11.0
265.19516	36.7
283.20575	50.1
375.21317	9.1
375.25369	71.7
383.59473	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35158	17.7
55.05493	47.5
59.34754	16.8
67.05490	83.4
78.85259	18.1
79.05486	49.8
81.07045	58.7
91.05477	100.0
93.07036	54.9
95.08613	37.7
101.88997	19.9
104.28900	18.1
105.07024	54.2
115.74996	20.6
117.07018	73.6
119.08555	51.8
129.07004	53.9
130.96057	24.6
131.08586	99.0
133.10095	34.7
141.07005	22.4
143.08521	30.6
145.10150	43.2
147.11670	43.6
155.08540	20.9
157.10080	34.9
159.11682	30.4
167.08591	25.4
169.10167	33.0
171.11600	36.0
181.10081	27.3
265.19458	43.3
273.80374	23.9
283.20581	64.2
375.25290	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1537
Annotation	Dioncolactone A
Peak:m/z	Relative Intensity
59.85559	7.8
72.56382	8.4
98.59206	9.2
107.04933	55.0
121.06474	13.4
157.24214	10.1
239.09312	18.3
256.37134	12.8
276.13748	12.3
318.14957	12.9
346.14465	30.5
376.15356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49093	0.6
53.03938	0.9
55.01862	0.9
57.03419	1.6
61.02900	3.0
65.64660	0.5
66.37104	0.5
69.03418	6.2
71.04964	0.8
73.02905	1.1
80.25444	0.6
80.57872	0.5
81.03403	4.1
83.01318	0.8
83.71001	0.6
85.02895	27.4
91.03939	1.1
93.01553	0.7
94.04173	1.2
95.07327	0.7
97.02874	6.9
99.04418	1.1
107.04890	1.2
109.02853	1.4
112.27910	0.7
122.03667	0.9
127.03892	4.0
137.05966	100.0
145.04955	4.8
151.07480	1.2
151.29437	0.7
160.24648	0.8
179.07016	29.9
180.08719	2.1
197.08046	3.8
214.10728	1.2
260.10101	0.7
334.01297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74824	1.4
54.09189	1.5
55.01868	1.5
55.30388	1.7
57.03416	4.6
61.02908	4.0
67.05481	2.0
69.03413	7.6
70.06579	7.6
73.02892	2.5
74.14452	1.9
81.07052	3.0
85.02901	31.3
86.34456	1.8
91.05466	8.7
93.07030	12.2
95.04937	5.2
97.02875	7.2
97.08219	1.8
103.03915	3.2
103.05444	8.0
105.06978	3.3
106.06557	3.9
107.04937	19.1
108.08134	2.2
109.02880	2.5
117.05801	3.1
117.07021	5.2
118.06548	5.2
119.07318	5.0
120.08095	46.1
121.06496	100.0
121.50678	1.7
127.03891	2.3
130.06522	4.1
132.08112	6.1
133.08884	4.2
143.07353	4.7
144.08081	31.5
162.09129	7.5
168.38533	1.8
173.08372	2.0
214.12265	41.5
214.14296	2.1
226.12282	6.8
238.12161	10.9
241.56566	2.2
250.12186	2.5
256.13303	19.2
268.13177	2.4
279.17450	2.1
280.13315	8.6
322.14490	3.2
340.15594	5.3
358.16577	5.2
376.17410	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60033	0.7
52.27694	0.9
54.37907	0.7
57.07072	64.2
59.62363	0.8
78.44045	0.9
108.04465	1.2
124.08732	1.7
125.07108	7.9
126.05508	7.2
153.10925	1.2
160.60176	1.1
191.11655	1.7
208.14523	1.9
209.12814	14.1
210.11171	1.5
218.12933	4.4
219.11238	2.7
226.39369	0.9
260.15222	1.3
275.17487	7.9
290.40903	1.1
292.20099	10.4
293.18475	7.3
302.18600	19.4
308.67313	1.1
343.22150	1.5
376.25922	100.0
377.26361	2.7
393.28265	2.1
394.27057	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	376.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27917	2.1
53.01062	2.1
67.80640	2.4
68.10127	2.6
69.55104	2.6
73.08846	2.5
83.77396	2.4
91.04420	2.6
115.34313	2.6
121.65675	2.8
126.73747	2.9
140.16074	2.6
141.87033	3.4
166.01892	2.8
213.24092	3.1
218.33009	3.2
302.30719	3.2
376.27036	5.7
376.31833	100.0
391.84827	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	376.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81871	2.4
68.51975	2.8
69.07050	2.2
81.07013	2.7
95.08657	3.4
100.55120	2.4
121.06504	11.5
186.77995	2.9
189.98615	3.6
205.48656	2.9
355.73370	3.9
376.19626	6.6
376.31848	100.0
387.06750	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	376.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30622	5.3
60.12755	5.8
69.51976	6.5
70.19426	7.2
95.04947	7.1
100.88818	8.9
109.41662	6.8
117.81325	7.1
145.23875	7.7
145.62195	8.5
146.44499	6.7
150.91345	7.8
190.23349	9.4
203.03853	9.1
249.86781	8.6
376.31912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86010	3.7
63.11579	2.8
64.41552	2.8
92.16846	3.1
99.57068	2.9
119.60062	3.9
144.36917	3.4
176.46976	3.5
205.34494	3.9
208.84383	3.5
231.84065	3.6
333.57968	3.8
376.31799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61916	2.0
59.84729	2.0
66.06882	2.1
69.07047	5.7
71.08624	4.6
72.39444	2.3
76.69069	2.4
86.09702	100.0
111.94427	2.9
112.07593	6.0
123.69539	2.8
278.24786	5.0
356.30365	3.1
376.32077	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	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75491	9.1
54.58958	9.9
57.07060	19.6
64.12862	12.0
75.36176	12.3
83.08621	17.9
103.05434	21.4
117.07008	23.9
121.52598	12.8
122.89195	14.3
126.48382	15.2
131.04919	25.5
145.06505	40.1
149.06001	56.5
151.07545	46.9
163.07547	53.9
183.89485	18.7
190.88281	15.2
200.45157	17.4
249.04007	16.9
376.32019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	100.0
71.08575	55.7
74.63341	54.4
81.07049	71.9
88.11270	90.4
91.57627	51.5
136.50284	61.0
139.30403	57.6
139.91389	51.4
142.64574	54.5
144.03738	56.0
154.59680	59.5
185.86026	57.2
263.18463	56.5
291.59116	81.4
325.33249	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74184	14.8
54.10394	14.1
56.96567	100.0
75.04482	15.5
88.33418	14.3
103.23386	17.3
120.44894	14.5
142.58000	17.3
220.02797	34.4
302.06906	23.5
343.09573	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	377.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62527	2.2
60.07874	2.9
60.08154	20.5
65.63567	2.4
68.05003	4.7
72.18241	2.5
73.45251	2.5
84.04499	4.4
95.06087	9.6
101.64674	2.5
107.06068	4.3
113.10828	2.6
114.33353	3.0
122.02718	5.9
127.03203	20.8
148.03946	12.8
149.04710	17.3
180.01112	28.7
181.11475	3.1
184.08987	5.2
188.05717	3.7
214.07367	3.7
228.05847	6.4
240.07744	9.7
241.08440	100.0
251.06920	3.1
256.05399	5.3
274.06421	70.4
333.13733	80.8
377.12711	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1317
Annotation	Gln Asp Asp
Peak:m/z	Relative Intensity
57.77152	3.9
62.36903	3.4
69.25319	3.4
73.77679	3.1
75.22552	3.5
78.46481	3.1
91.71568	7.7
103.75243	3.5
148.03699	4.5
162.50739	4.1
168.28593	3.8
204.06320	14.5
207.05099	16.6
261.16333	4.2
310.49301	4.6
359.12076	10.8
377.13184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87831	1.3
56.71896	1.2
57.38988	1.1
59.78938	1.1
60.35903	1.1
63.57630	1.2
65.03913	9.0
67.05489	1.8
70.06591	1.9
71.01337	4.5
74.10058	1.2
78.04771	1.1
78.15827	1.3
79.05479	2.8
82.06554	4.0
86.09695	2.3
89.67703	1.3
91.05453	4.8
92.04987	5.8
93.03396	2.6
93.05805	1.5
94.06551	5.0
106.06549	4.6
107.04903	1.4
108.04415	3.8
108.08103	4.3
116.04983	4.2
118.06521	6.7
120.04458	7.7
120.08089	1.8
122.06023	4.6
134.06001	62.3
136.07564	34.1
144.04440	8.2
146.01627	1.5
146.05997	60.8
148.03920	64.5
150.05519	2.1
152.07030	3.5
153.99925	1.3
157.07683	2.3
162.05504	5.5
164.07045	100.0
166.04979	41.5
172.03912	22.7
189.06638	2.0
190.04973	70.2
191.05368	2.4
222.49390	1.6
255.11284	10.4
269.12885	2.9
271.10706	5.6
279.11279	6.0
281.09134	1.7
286.06393	1.9
297.12296	20.8
299.10202	31.6
315.13315	12.5
341.11380	5.6
359.12387	2.4
377.13715	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78560	0.8
51.53039	0.8
56.05015	1.1
56.57757	0.9
60.04513	1.1
61.26460	0.9
70.06580	7.5
72.08148	2.0
84.08123	2.7
85.01395	0.9
86.09713	1.1
87.06899	1.3
91.05458	2.9
100.07607	20.8
108.01156	1.4
108.78645	1.1
112.05037	1.2
114.09173	6.4
119.04920	2.9
123.04393	3.6
134.02766	1.2
136.07565	11.2
137.05977	3.6
147.04425	1.5
152.03780	2.3
154.08604	1.6
163.07562	2.5
165.05408	6.2
180.10242	2.8
182.08148	7.2
196.06372	100.0
206.11829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.75320	0.8
50.93482	0.7
51.74072	0.8
53.03927	2.6
55.01862	1.0
57.03430	14.1
61.02916	5.4
61.30055	0.9
69.03422	26.0
70.06572	2.0
71.01331	2.7
71.04984	6.5
73.02899	3.0
74.59318	0.9
74.79123	1.3
75.04459	3.4
79.43271	0.8
79.73659	0.7
81.03408	6.2
99.04443	9.1
117.05464	1.4
138.23969	1.1
145.07605	3.6
170.07045	2.0
172.08673	44.7
190.09775	2.1
194.81224	0.9
198.06619	11.1
200.08273	4.7
213.11295	1.4
216.07657	22.4
218.09103	1.6
227.81844	0.9
243.08752	93.0
244.07037	1.8
265.49908	1.1
359.13748	4.6
377.14526	100.0
378.14810	1.7
402.19461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00039	2.3
55.05496	5.0
56.05024	2.7
57.03422	8.1
58.99580	6.5
60.14328	2.7
61.01137	2.6
65.10944	2.6
67.05499	19.9
69.07042	4.0
70.06566	3.2
71.08622	6.9
71.62828	2.4
76.02223	21.2
81.07040	4.9
84.04495	49.6
85.06489	2.8
86.99045	4.3
89.00587	8.7
92.35152	3.5
93.45937	2.5
97.10179	5.6
97.42140	2.5
105.00074	7.8
107.08527	2.7
109.10141	13.4
110.07198	3.4
122.01823	4.6
122.02714	84.1
127.11188	28.5
130.05023	6.7
134.03337	3.3
142.03203	4.7
159.08383	100.0
188.03758	6.9
202.12624	5.2
248.13145	35.7
251.06955	6.3
291.75156	3.0
377.17389	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	377.2088
Annotation	Remifentanil
Peak:m/z	Relative Intensity
64.34084	7.3
64.37906	7.6
66.44687	6.3
73.43179	6.3
108.38276	7.4
119.33191	7.5
120.66962	7.7
193.28633	8.1
202.76703	8.5
377.20825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04585	14.6
57.13911	14.7
67.98194	17.1
69.84101	16.9
71.65664	15.9
79.73882	20.3
80.64792	16.3
92.99666	17.3
161.39378	23.0
174.74690	19.2
277.55533	23.1
303.19446	100.0
363.09811	23.2
377.26657	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	28.5
55.77631	16.7
56.84080	17.7
63.68652	18.0
67.05487	70.4
69.07060	21.1
75.83920	20.4
79.05499	53.0
81.07043	92.9
88.14963	23.1
91.05482	100.0
91.70990	42.4
93.07043	79.1
95.04964	35.0
95.08596	46.0
105.07011	93.2
107.04922	37.3
107.08595	65.9
108.97086	21.5
115.05379	21.9
117.07027	55.8
118.43365	20.9
119.08580	63.4
121.06541	29.2
129.07010	29.4
131.08603	68.1
133.10167	50.1
145.10178	43.7
155.08502	25.0
157.10123	38.3
159.11696	26.6
173.13078	25.3
210.69093	24.3
293.52853	31.7
345.20645	89.0
377.22964	68.6
391.62369	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.3
57.03428	60.7
57.07068	34.2
66.82610	3.4
67.05494	71.3
69.07059	21.8
71.04976	60.5
75.04474	19.3
79.05479	25.2
81.06602	7.6
81.07048	100.0
83.04959	5.9
83.08614	16.0
83.48378	3.4
85.06534	37.8
91.05479	19.5
91.71093	5.5
91.71575	5.4
93.07038	39.9
95.04957	6.7
95.08594	44.4
97.06533	12.0
99.08076	5.0
103.03942	19.9
105.07028	8.9
107.07956	4.2
107.08566	23.8
109.10162	16.6
111.08070	8.2
119.08564	10.2
121.10147	15.0
123.11717	11.3
133.10124	16.5
135.11696	18.9
147.11679	13.5
149.13249	9.9
153.12791	4.6
155.55737	4.1
171.13774	10.8
185.15346	13.0
187.13347	11.5
194.20232	4.0
203.17992	11.9
221.19011	8.4
239.20050	49.3
267.19366	4.3
332.74887	4.6
341.13586	4.5
341.23154	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	377.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.3
57.03428	60.7
57.07068	34.2
66.82610	3.4
67.05494	71.3
69.07059	21.8
71.04976	60.5
75.04474	19.3
79.05479	25.2
81.06602	7.6
81.07048	100.0
83.04959	5.9
83.08614	16.0
83.48378	3.4
85.06534	37.8
91.05479	19.5
91.71093	5.5
91.71575	5.4
93.07038	39.9
95.04957	6.7
95.08594	44.4
97.06533	12.0
99.08076	5.0
103.03942	19.9
105.07028	8.9
107.07956	4.2
107.08566	23.8
109.10162	16.6
111.08070	8.2
119.08564	10.2
121.10147	15.0
123.11717	11.3
133.10124	16.5
135.11696	18.9
147.11679	13.5
149.13249	9.9
153.12791	4.6
155.55737	4.1
171.13774	10.8
185.15346	13.0
187.13347	11.5
194.20232	4.0
203.17992	11.9
221.19011	8.4
239.20050	49.3
267.19366	4.3
332.74887	4.6
341.13586	4.5
341.23154	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	377.2685
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.01866	6.2
55.05492	20.4
57.03429	8.1
57.07064	10.0
57.91853	4.5
61.53831	4.7
62.72691	5.8
65.74006	6.1
67.05169	8.4
67.05494	100.0
69.07046	20.4
71.04989	7.9
78.36922	4.8
79.05479	64.2
81.07051	87.4
83.08599	10.8
85.06541	8.8
87.80485	5.1
91.05479	85.1
93.07039	74.4
95.04936	11.0
95.08586	52.1
96.15884	5.4
97.06566	8.6
105.07021	70.4
107.08585	33.5
109.10146	26.6
117.07014	59.7
119.08573	62.2
121.10134	37.9
123.11712	15.4
129.05463	8.5
129.07010	27.2
131.08562	74.2
133.10136	44.5
135.08067	6.5
135.10786	5.9
135.11674	35.8
141.07013	17.9
143.08534	30.4
145.10138	55.0
147.11647	31.7
149.09642	17.1
149.13264	11.9
155.08577	8.7
157.10144	19.7
159.11703	38.4
161.13266	24.8
163.11092	10.1
163.14935	7.0
169.10150	11.9
171.11708	20.2
173.13271	39.3
175.11218	9.0
175.14832	22.1
183.11711	21.1
185.13295	23.6
187.14772	32.9
189.16403	9.3
197.13216	19.4
199.14821	9.1
201.12759	10.8
201.16333	35.6
203.17885	5.6
211.14751	13.7
225.16388	13.7
239.18047	11.0
243.21033	11.6
257.18979	12.7
267.21005	54.1
285.22034	89.4
285.24896	8.1
359.25662	7.1
377.26865	87.3
401.08356	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.3
55.05500	19.7
57.03432	13.8
57.07042	10.7
57.80508	10.3
67.05498	100.0
68.12948	9.3
69.07054	28.8
71.04949	15.4
79.05483	49.9
81.07045	89.2
84.86062	11.2
91.05462	88.3
91.44502	10.7
91.71603	13.6
93.07024	81.1
95.08587	80.6
103.11962	11.2
103.51936	10.9
105.06999	62.0
107.08580	53.6
109.10168	27.7
117.07015	38.1
119.08566	79.6
121.10114	37.8
122.37025	11.0
122.47205	13.1
129.05469	15.2
129.07018	29.2
131.08542	70.2
133.10088	55.1
135.11699	21.4
141.07021	17.4
143.08572	23.5
145.10143	45.0
147.11658	36.2
149.13214	19.6
155.08595	26.6
157.10167	14.7
159.11714	48.5
161.13242	31.1
169.10059	20.3
171.11659	22.0
173.13255	32.0
175.14766	18.6
183.11714	18.4
187.14781	25.8
195.42206	11.5
197.13339	28.6
199.14828	14.6
201.16351	26.9
203.14375	15.8
234.29605	13.6
237.64615	12.7
267.21216	49.9
285.22205	67.7
285.24915	14.0
285.40457	13.4
308.07367	16.3
377.26669	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
50.64920	7.7
53.12020	9.5
53.78749	8.1
55.01866	10.5
55.05500	23.6
57.03424	15.8
65.03946	10.5
67.05491	92.8
69.07044	20.9
71.04964	14.4
74.05275	8.2
74.88217	9.2
75.00601	8.6
75.51331	8.0
75.60069	9.9
79.05473	43.0
81.07043	100.0
85.06528	15.1
91.05491	92.6
91.71068	12.9
93.07035	82.7
94.01784	10.4
95.08602	74.5
105.07026	76.4
105.71239	10.3
107.08577	40.4
109.10180	29.4
117.07030	57.7
119.08570	66.0
121.10154	36.2
126.42191	11.2
129.06995	27.2
131.08525	51.2
133.10150	42.2
135.11697	37.8
141.07025	13.9
143.08586	13.4
144.90105	10.6
145.10135	42.5
147.11668	31.6
149.13315	14.8
157.10127	21.5
159.11697	31.0
161.13231	27.5
167.22078	10.6
169.10205	18.9
171.11642	26.2
173.13266	23.8
175.14845	20.5
185.13266	29.1
187.14787	20.0
197.13264	21.8
199.14854	23.1
201.16354	40.6
211.14853	14.8
215.17912	12.8
225.16307	19.6
267.21072	58.1
285.22125	57.0
286.78748	11.9
377.26971	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51681	8.6
53.88869	7.8
55.05504	15.8
57.03433	14.6
57.07048	12.0
59.59200	9.3
67.05501	97.5
69.07061	20.5
79.05484	49.2
81.07045	77.5
91.05466	100.0
91.71628	11.9
93.07024	70.7
95.08593	45.4
95.39589	10.6
105.07009	57.2
107.08591	21.9
109.10186	18.7
117.07000	23.3
119.08584	64.3
121.10140	27.9
123.11738	20.3
129.07039	13.3
130.26067	9.3
131.08566	65.6
133.10130	59.9
135.11699	30.1
141.06943	12.7
143.08546	25.7
145.10129	42.1
147.11725	25.5
155.08595	15.1
157.10095	24.9
159.11649	24.8
161.09532	15.0
161.13290	27.6
169.10072	17.9
171.11728	19.7
173.13228	43.9
175.14876	21.4
183.11806	24.6
185.13362	18.3
187.14801	25.8
196.57755	10.9
201.16415	27.9
211.14821	16.9
215.14243	14.7
261.91376	12.7
267.21066	55.9
276.40768	11.1
285.22089	79.2
314.74246	14.3
377.27051	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	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.43158	3.8
55.05494	17.7
57.03433	9.2
57.07066	4.2
59.69958	3.3
67.05494	43.8
69.07053	15.2
79.05482	61.1
81.07048	51.4
83.08606	5.2
83.41884	4.6
91.05466	48.9
91.71051	5.6
93.07038	100.0
95.04977	11.2
95.08603	31.4
103.50826	4.0
105.07032	40.1
107.08591	44.7
109.06493	9.3
109.10162	18.3
111.04411	4.8
115.03950	11.0
117.07000	12.3
119.08574	35.0
121.06560	4.8
121.10143	41.8
125.24857	4.4
127.03902	7.6
129.06981	10.0
131.08577	19.8
133.10150	27.2
135.11690	31.3
141.06792	4.5
143.08513	6.4
145.10146	19.0
147.11688	17.0
149.13234	14.2
157.10095	5.1
159.11681	12.0
161.13297	14.9
163.14861	8.0
169.10164	7.0
171.11748	7.8
173.13223	5.9
187.14813	5.3
211.14668	5.9
237.75134	5.2
267.21057	7.8
313.21649	22.9
331.22635	52.3
377.22653	7.4
377.26855	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	378.1547
Annotation	(+)-16-Hydroxygalwesine
Peak:m/z	Relative Intensity
52.32996	0.6
55.37940	0.6
58.54325	0.6
59.47969	0.5
68.58948	0.6
70.06587	4.0
71.73837	0.7
72.08122	1.5
79.69395	0.7
84.04477	2.4
84.08122	1.2
93.84772	0.8
95.04940	1.0
97.02868	1.5
107.04913	1.7
114.81467	0.8
116.07069	0.9
117.06995	0.6
118.06516	1.7
123.04411	2.2
130.06525	1.3
132.04456	5.0
132.08070	2.8
135.22432	0.8
141.05420	2.3
146.05986	3.7
147.18352	0.8
149.05894	0.8
150.05513	7.5
151.96054	0.7
152.07051	2.2
152.70244	0.9
157.20218	0.7
158.05978	2.0
160.07547	4.6
162.05515	1.0
162.09128	1.0
163.06175	2.1
164.07100	4.5
165.05490	1.3
165.07857	5.4
166.08649	7.1
176.07065	5.8
178.08611	8.6
180.10202	10.0
183.06514	1.4
188.07031	1.6
190.08588	0.9
193.07353	1.4
206.08141	12.5
208.09676	100.0
209.10052	1.7
215.88109	0.8
220.09738	2.0
324.12378	3.4
342.13287	12.2
360.14380	21.9
364.33414	0.7
372.42972	0.8
378.15454	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	378.1698
Annotation	Ficuseptine B
Peak:m/z	Relative Intensity
54.92064	4.8
56.50503	4.3
62.95673	4.4
67.52876	5.5
83.93363	6.0
91.05478	23.2
91.71677	6.4
93.07055	7.6
95.04963	50.9
107.04951	18.2
107.07301	6.6
118.06519	6.7
119.04927	60.9
121.06490	38.8
123.04414	100.0
135.32074	5.9
144.08127	9.5
147.04395	36.6
150.56427	5.7
153.86928	5.7
165.05447	91.2
214.12271	10.2
237.37199	5.5
238.12256	7.8
297.78708	5.9
332.16483	34.6
349.21921	6.2
378.17090	39.4
384.82248	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	378.1697
Annotation	Ficuseptine B
Peak:m/z	Relative Intensity
53.03940	1.6
55.29664	0.8
58.06609	1.2
69.53336	0.8
72.08158	1.5
80.75252	0.8
88.07644	1.6
91.05466	9.0
92.87148	1.0
93.07034	13.0
95.04948	8.0
103.05444	10.0
104.94241	0.9
105.04550	1.2
107.04948	23.9
118.06516	2.2
121.06496	100.0
123.04426	4.9
131.97241	1.0
132.10289	1.8
134.06145	1.1
144.08136	2.8
146.06068	1.5
153.51993	0.9
235.09935	2.9
238.12282	1.0
248.10751	1.3
286.27307	1.8
299.48038	1.0
330.29892	1.3
342.14972	4.4
360.15884	17.8
378.16693	2.3
378.32138	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	378.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69040	4.8
56.05039	5.4
58.06592	16.4
61.26650	6.8
62.44910	5.6
70.10968	5.6
72.08140	12.3
72.45589	7.4
77.59806	7.1
83.06431	5.3
103.05902	6.7
132.10182	50.1
134.89789	6.2
142.10815	7.7
146.91187	5.8
268.26352	7.7
286.27322	41.7
375.69287	8.6
378.32172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.6
55.01858	1.3
55.05495	3.0
57.07045	1.3
57.69420	0.8
57.76737	0.8
64.15822	0.8
67.05486	4.6
69.07066	7.5
71.08253	1.6
71.08625	30.9
79.05461	1.2
81.07051	7.9
83.08591	1.3
88.11263	100.0
91.05456	1.1
93.07033	5.6
95.04928	1.3
95.08582	5.6
99.08090	3.0
101.63522	1.0
105.07038	2.5
107.08582	3.3
108.18484	1.0
109.06530	3.1
109.10162	2.6
109.92099	1.0
114.70454	1.0
119.08584	2.3
121.10168	1.6
124.34732	1.0
133.10158	1.4
165.12807	3.6
170.15425	1.1
224.20224	1.4
235.16945	1.6
261.32248	1.1
265.30832	1.2
280.26376	5.6
291.23093	5.9
364.76321	1.3
378.33679	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67563	0.9
56.96557	28.3
62.65144	1.0
65.51169	0.9
73.29577	0.9
78.36272	1.0
79.84269	1.0
84.96040	3.3
91.71690	1.2
95.91943	1.0
97.99176	1.6
118.22243	1.2
159.76105	1.2
172.99069	2.3
174.22870	1.1
191.00124	19.7
200.12346	1.3
209.01196	45.3
214.01726	12.9
220.02785	1.5
227.02193	10.1
232.02768	27.9
234.65508	1.2
241.01588	2.2
245.04849	4.7
247.06340	10.2
250.03735	3.1
253.05386	3.6
255.04396	11.3
259.02747	4.8
263.05823	6.0
265.07547	7.5
267.03366	3.9
268.06409	3.0
269.04684	6.1
270.07916	6.8
271.06363	19.3
279.03116	10.6
282.04388	2.7
283.02744	2.0
284.05963	2.1
285.04233	8.5
286.07425	2.7
287.05908	5.3
288.09082	7.0
289.07370	24.2
292.06436	3.3
293.09766	3.3
294.07932	16.9
297.04279	37.9
301.03842	1.3
302.04819	1.9
303.05530	1.4
307.08356	2.4
308.05923	5.7
310.07550	3.9
311.10522	3.5
312.09052	22.9
313.09207	1.4
315.05344	62.1
316.05579	2.6
317.09647	2.4
320.05832	38.4
321.06198	2.9
326.06845	1.5
333.06332	33.2
335.10611	18.7
338.06937	100.0
339.07220	3.0
356.08044	31.8
358.12296	2.0
361.08554	29.5
361.12430	1.1
362.08615	2.5
379.09628	27.0
380.09970	3.0
402.11203	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62926	22.8
61.62722	28.0
64.44492	22.8
70.06572	91.3
71.13938	24.0
72.08149	37.0
84.08118	58.6
86.09712	50.7
147.13316	28.2
181.70819	28.4
187.08678	34.7
215.54208	33.9
298.50809	33.4
316.70224	35.4
379.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.209
Annotation	Pentosidine
Peak:m/z	Relative Intensity
70.06592	5.9
73.55904	3.2
74.14220	3.9
74.77473	3.8
82.12090	3.4
84.23791	3.8
87.46033	3.4
89.26614	3.6
91.05473	3.5
103.87515	4.6
112.03786	5.4
165.05568	4.6
176.56448	4.3
216.01396	5.5
270.08749	5.4
298.65445	4.9
308.12692	5.6
338.07013	8.0
340.27591	5.5
367.72736	4.7
379.11420	6.4
379.16309	59.5
379.21005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	11.0
57.11408	6.1
61.47046	7.7
66.44324	8.2
74.38167	6.4
88.53693	7.9
117.90913	6.5
157.31760	10.2
158.14905	7.6
181.02878	9.6
196.01491	8.2
221.56349	8.9
275.93768	7.4
297.99057	15.9
326.49847	8.1
329.79056	8.4
379.20752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2091
Annotation	Pentosidine
Peak:m/z	Relative Intensity
91.44759	7.2
116.72607	7.3
116.98703	6.6
182.40915	6.5
182.48967	6.9
190.83249	6.2
316.00070	10.0
318.45654	7.4
338.07141	10.0
379.20801	100.0
379.24796	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.5
57.03436	4.2
59.88986	3.3
67.05494	5.7
67.88860	3.6
69.07074	5.6
70.02943	69.0
70.87033	3.7
74.02422	23.2
79.05486	5.3
80.33022	3.5
81.07029	6.8
83.55019	4.3
84.40012	3.7
87.05589	77.2
88.03989	39.9
91.05482	9.4
91.06855	3.9
93.07050	13.2
95.08575	5.5
105.07026	11.6
107.08601	12.1
110.47075	3.9
116.03504	5.6
119.08628	9.7
121.06468	7.3
121.10150	7.5
131.08582	14.7
133.05084	6.7
133.06087	100.0
133.10094	8.1
143.08528	6.5
145.10112	13.3
149.09610	17.3
152.28239	4.0
163.11230	10.1
184.83398	4.1
187.14847	8.9
201.16476	5.4
226.41235	4.3
229.15909	5.4
247.16939	15.6
248.53426	4.9
290.21133	9.1
316.19064	14.2
361.21136	16.1
362.19553	64.8
379.22223	39.3
388.06134	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	379.2479
Annotation	17-Carboxygrindelic acid
Peak:m/z	Relative Intensity
50.95347	1.8
55.01862	5.4
55.05500	10.6
57.03420	3.9
62.50587	2.3
62.88619	2.2
67.05177	2.8
67.05500	36.0
69.07065	26.1
71.04975	4.2
71.08624	2.3
79.05486	12.4
81.07045	35.4
83.04956	7.3
91.05476	17.5
93.07038	28.3
95.04957	13.0
95.08598	22.2
97.06545	4.8
105.07028	31.9
107.04946	6.5
107.08601	13.6
109.06500	14.1
109.10143	13.5
109.15000	2.2
115.03954	11.6
116.43544	2.8
117.07011	6.5
119.08599	14.1
121.06499	7.3
121.10155	7.8
123.08059	8.1
123.11705	5.6
127.03921	16.9
131.08536	14.7
133.10112	14.1
135.08006	3.6
135.11737	3.4
137.09645	5.3
143.08566	3.3
145.10138	10.4
147.11705	8.3
149.09671	3.8
151.11201	9.6
159.11705	4.3
163.11205	4.4
291.15921	7.9
319.22650	8.9
329.21088	19.8
336.80319	2.8
347.22141	100.0
379.24841	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	379.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	79.4
67.05506	59.9
76.35494	20.9
79.05489	30.9
81.03394	24.4
81.07090	39.2
83.04977	21.4
83.08643	100.0
84.53481	27.2
91.05493	43.2
92.88596	23.8
93.07030	50.1
95.05011	33.2
95.08639	55.5
105.07024	34.5
111.08080	27.5
117.04598	28.1
117.07146	29.6
119.08638	39.0
131.08646	30.5
133.80072	28.5
140.14998	23.1
347.22363	72.7
379.24619	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
52.00133	3.5
54.74895	4.1
55.01857	8.9
55.05498	15.6
55.87048	3.4
57.03421	12.2
57.07077	25.1
67.05492	100.0
69.07054	30.2
71.04992	10.9
71.08606	6.9
77.58326	4.5
79.05472	59.0
81.07052	90.9
83.04919	3.9
83.08603	19.3
85.06567	10.1
91.05468	87.5
93.07038	74.4
95.04974	13.4
95.08593	61.6
97.06542	5.1
97.10143	5.4
105.07007	71.1
105.60642	4.2
105.82449	4.5
107.08585	31.9
109.06502	5.1
109.10152	20.9
111.08118	5.5
113.21030	4.4
117.07019	22.3
119.08567	69.6
119.51446	5.1
121.06590	5.4
121.10143	54.0
122.89702	4.0
123.11732	12.0
128.06247	6.8
129.05493	12.5
129.06999	18.8
131.08563	51.2
133.10109	54.4
135.08072	14.5
135.11662	21.8
143.08536	24.2
145.10133	28.4
147.11681	30.4
149.09578	10.7
149.13199	7.1
157.10158	15.4
159.11783	9.3
161.09631	11.1
161.13249	25.9
163.14766	9.8
171.11656	26.4
173.13312	13.1
175.11223	12.7
175.14751	23.6
177.16345	6.4
185.13213	23.9
187.14853	5.7
189.12753	6.1
189.16356	18.8
191.17952	7.1
199.14929	9.4
201.16391	7.6
203.17953	32.4
243.21156	6.2
245.22633	19.8
259.24234	12.1
269.22592	54.2
287.23651	77.9
305.24823	10.5
361.27399	16.0
379.28452	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15279	34.4
69.07075	42.9
70.18381	35.9
73.93290	44.4
81.07045	100.0
91.05452	62.4
95.08595	88.2
97.28580	42.6
105.07022	84.4
124.35083	40.0
125.75111	46.3
134.83543	42.4
145.14468	42.4
148.51903	43.6
161.13145	52.4
164.00642	45.5
173.44138	52.8
314.43506	52.1
365.63245	55.2
393.19662	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	379.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	26.5
57.07063	26.9
58.60696	13.6
58.91153	11.8
59.01896	13.9
59.25612	13.0
67.05495	82.9
67.81065	14.1
70.93440	17.5
79.05487	50.9
81.07040	100.0
83.08627	23.2
91.05469	80.5
93.07047	69.1
95.08593	71.3
105.07029	63.3
107.08585	28.5
109.10131	29.6
119.08601	42.7
121.10123	58.1
129.07010	22.8
131.08597	35.8
132.82315	19.3
133.10139	28.6
135.11740	25.4
143.08542	30.8
147.11717	27.9
161.13229	20.2
171.11610	33.8
189.16463	23.6
263.54892	19.0
269.22641	54.4
284.30203	20.1
287.23679	59.0
379.28293	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	379.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61114	1.4
56.05000	2.6
56.96552	1.6
58.92837	1.7
60.93896	1.7
65.82552	1.5
67.05481	3.1
81.07055	2.0
84.08131	100.0
87.37281	1.8
91.05458	1.8
93.07051	1.9
98.97531	2.0
120.09833	1.9
130.08636	8.6
134.99777	2.0
143.76955	2.0
147.11281	3.3
184.57916	1.8
297.99057	2.9
305.83035	3.3
316.26303	5.3
338.97137	2.6
339.01523	2.9
379.29382	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	380.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34126	1.0
90.04660	1.5
91.05502	3.0
93.07011	5.5
95.04971	2.3
96.42754	1.0
103.05457	2.0
104.04987	8.7
105.07022	4.1
106.06535	2.4
107.04948	8.2
115.05446	1.7
117.05748	9.9
118.06549	1.5
119.07323	14.0
120.08113	6.0
121.06502	23.7
130.06522	1.8
132.08080	39.5
135.79303	1.2
155.03366	1.3
158.34253	1.2
208.11266	2.0
226.12250	100.0
326.95892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85151	0.9
55.18842	0.9
56.79119	1.0
63.54119	0.8
86.89984	1.1
87.82519	1.1
91.05466	12.4
93.07035	18.9
95.04932	5.7
95.81958	1.0
103.05453	9.6
106.06562	5.2
107.04944	30.0
107.07339	2.4
115.05430	1.7
117.07019	5.1
118.06541	15.5
119.04945	1.5
119.07325	2.5
120.08069	3.2
121.06496	100.0
123.04446	4.3
130.06499	6.2
131.07272	2.2
132.04474	1.3
132.08130	8.2
133.08887	4.5
135.04437	1.6
136.05244	3.1
137.06000	9.0
143.07281	2.1
144.08069	39.5
191.08614	1.5
202.47931	1.1
225.07703	1.3
226.08531	1.9
228.10320	1.7
238.12236	7.6
238.14395	1.1
240.10217	4.6
241.10989	3.3
254.11723	14.5
326.06903	1.2
329.07101	1.2
348.15918	90.6
349.16132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.7
56.96553	8.2
61.56031	4.5
68.05007	6.0
69.05811	9.5
70.06584	78.4
80.51104	4.9
80.85786	4.7
83.07337	12.7
84.08123	7.0
98.97574	8.6
107.08594	5.1
116.98643	5.6
132.29973	5.1
140.00226	7.6
144.25937	5.1
226.17908	9.1
254.17493	100.0
274.97617	7.8
297.99219	8.3
313.10413	6.2
339.01782	8.1
380.27924	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	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89813	15.4
59.77784	14.3
72.96087	19.2
76.58462	14.8
77.14043	18.7
87.49667	16.7
112.91681	16.7
163.24570	18.3
223.08665	20.0
273.49362	20.3
277.27795	19.2
298.10934	22.7
381.07983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78450	12.2
51.39269	9.6
63.02407	10.4
64.79084	11.1
65.75364	11.0
71.22185	9.6
77.15234	12.4
87.94592	11.5
88.07864	10.8
133.02560	12.8
137.54695	14.2
175.97015	15.1
238.30272	15.2
246.63020	14.5
249.93127	14.7
326.41968	15.0
381.07904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41049	1.0
58.86668	1.1
67.81652	1.2
94.27211	1.0
157.75612	1.3
170.69060	1.1
252.71873	1.4
380.82883	1.4
381.11539	100.0
382.11877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.4
56.05018	3.5
57.05814	2.4
60.04512	8.6
62.08609	2.5
67.90819	2.6
69.43860	2.8
70.06584	41.9
72.08147	100.0
73.08484	14.6
75.78241	2.8
77.55638	2.9
84.04498	8.4
84.08139	4.7
86.09686	17.5
91.04156	3.1
116.07038	4.1
118.06543	3.9
121.75902	3.9
126.05560	4.7
129.10202	4.9
133.81361	3.1
137.05965	3.5
146.06012	8.1
162.05542	3.6
164.07097	14.0
174.05548	3.9
175.11913	5.2
192.06570	12.5
264.09402	3.7
312.10745	9.7
317.32214	3.7
381.16602	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	381.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.4
56.05018	3.5
57.05814	2.4
60.04512	8.6
62.08609	2.5
67.90819	2.6
69.43860	2.8
70.06584	41.9
72.08147	100.0
73.08484	14.6
75.78241	2.8
77.55638	2.9
84.04498	8.4
84.08139	4.7
86.09686	17.5
91.04156	3.1
116.07038	4.1
118.06543	3.9
121.75902	3.9
126.05560	4.7
129.10202	4.9
133.81361	3.1
137.05965	3.5
146.06012	8.1
162.05542	3.6
164.07097	14.0
174.05548	3.9
175.11913	5.2
192.06570	12.5
264.09402	3.7
312.10745	9.7
317.32214	3.7
381.16602	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	381.2998
Annotation	Persin
Peak:m/z	Relative Intensity
57.07049	12.4
67.05495	72.9
69.07050	17.3
79.05485	31.3
80.67542	15.9
81.07040	100.0
82.54660	12.3
91.05470	28.1
91.70988	27.2
93.07025	56.3
95.08606	76.1
101.09190	12.1
105.07034	22.1
106.27180	15.0
107.08606	45.6
109.10125	18.4
121.10133	32.1
123.11736	14.7
127.59869	13.1
128.84340	17.7
131.08588	33.0
139.73024	13.4
145.10153	19.1
151.31952	15.2
187.14908	18.5
206.22034	15.3
271.24234	21.9
289.25269	58.0
293.76740	15.3
381.35297	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	381.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59541	6.8
55.05491	33.6
57.07056	24.0
57.21201	9.3
67.05489	39.9
69.07056	54.1
71.08622	18.2
77.28571	9.2
79.05458	12.2
81.07053	100.0
83.08609	25.6
91.05480	18.3
93.07023	18.9
94.40396	8.9
95.08600	51.0
97.10130	21.9
105.07036	33.7
107.08598	30.7
109.10159	56.5
117.06966	9.4
119.08581	14.6
121.10136	20.2
123.11710	16.2
131.08569	30.0
133.10106	25.5
137.09608	13.7
145.10097	52.8
147.11668	27.1
159.11688	34.3
161.13205	11.2
213.16223	11.1
290.05640	10.9
381.35031	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	382.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02975	54.7
53.23431	53.3
56.96553	83.4
70.06585	80.7
75.11404	61.5
75.50037	63.6
81.40565	64.6
105.87578	73.8
192.94910	84.4
212.15184	70.3
220.33023	80.7
377.11484	100.0
386.55389	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
50.56272	1.6
57.07063	3.2
59.04972	2.9
64.09187	1.8
67.05490	4.8
69.03410	2.6
69.07066	2.8
70.02942	4.0
72.04502	7.5
73.02933	2.0
85.02886	7.1
85.06512	6.7
90.05545	85.8
95.04973	4.6
98.02385	9.1
102.54592	1.9
103.07570	5.5
116.03420	11.3
124.07592	13.4
142.08627	3.7
142.87569	1.9
160.09709	2.8
166.08578	3.3
184.09622	12.9
202.10721	19.7
203.35973	2.2
220.11792	100.0
298.95743	2.3
341.06241	2.2
350.22504	2.1
380.76016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50327	2.5
59.44169	2.9
61.64394	3.2
62.18453	2.7
67.05500	6.5
67.07826	2.9
67.81268	3.1
69.07073	5.0
70.06576	16.6
73.34279	2.9
73.65828	3.6
77.32423	3.3
79.05487	4.4
81.07056	3.4
81.29118	3.3
84.04507	9.0
84.08155	11.1
86.09719	10.8
91.05494	10.0
93.07022	4.1
95.05030	3.3
95.08607	6.5
103.05502	4.4
105.09329	4.0
117.07032	5.6
118.87992	3.7
119.90672	3.2
121.06460	3.4
123.04421	7.2
129.10228	5.5
131.04915	16.9
137.05959	18.5
145.06450	4.0
147.04395	19.4
149.05962	41.4
157.06511	5.4
161.05939	16.9
163.07654	8.1
164.07127	4.3
166.83652	4.0
173.06042	13.6
175.07553	18.7
177.09169	4.2
199.07632	4.5
273.14902	11.0
382.22241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88530	3.6
53.42453	3.7
55.05496	12.1
56.96555	5.6
57.07073	4.4
62.79830	3.8
67.05503	8.9
69.07053	35.0
78.58413	3.8
81.07045	38.0
83.08596	13.6
83.87065	4.0
84.04497	100.0
91.05499	4.6
92.00357	4.2
95.08583	26.7
102.05548	35.8
105.07011	8.7
107.08603	5.6
109.10135	12.9
119.88568	4.5
121.10097	6.6
124.09225	5.9
130.04996	57.4
134.80565	4.2
148.06036	73.6
161.13245	8.3
187.62445	5.9
195.02094	5.6
209.41811	5.2
219.21738	4.5
235.20462	7.1
268.58374	5.0
279.49722	5.0
382.25699	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	15.5
55.05489	18.2
59.72720	9.8
67.05495	90.7
69.07049	46.3
69.07375	9.1
70.43919	8.5
71.04985	11.3
79.05476	42.6
79.62205	10.4
81.07044	100.0
91.05471	35.6
93.07037	49.9
95.04941	20.9
95.08613	52.4
97.02919	11.8
97.06520	14.0
102.60210	10.6
105.07011	29.1
107.08633	21.0
109.10158	37.3
115.03946	13.2
117.07030	17.9
119.08529	22.6
120.59949	10.1
121.10127	29.8
123.11664	14.2
127.03856	18.3
130.64217	9.5
131.08568	22.4
133.10123	24.7
135.11699	13.7
145.10106	17.1
171.11662	11.4
289.84308	10.8
299.86313	10.8
366.38739	10.7
382.25824	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	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	15.5
55.05489	18.2
59.72720	9.8
67.05495	90.7
69.07049	46.3
69.07375	9.1
70.43919	8.5
71.04985	11.3
79.05476	42.6
79.62205	10.4
81.07044	100.0
91.05471	35.6
93.07037	49.9
95.04941	20.9
95.08613	52.4
97.02919	11.8
97.06520	14.0
102.60210	10.6
105.07011	29.1
107.08633	21.0
109.10158	37.3
115.03946	13.2
117.07030	17.9
119.08529	22.6
120.59949	10.1
121.10127	29.8
123.11664	14.2
127.03856	18.3
130.64217	9.5
131.08568	22.4
133.10123	24.7
135.11699	13.7
145.10106	17.1
171.11662	11.4
289.84308	10.8
299.86313	10.8
366.38739	10.7
382.25824	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	383.2062
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
53.63608	9.5
66.53799	9.0
67.05509	16.1
69.07087	17.0
79.05482	14.7
81.07063	35.6
86.09740	23.4
91.05502	11.5
93.07054	26.2
95.08628	26.1
103.65537	10.4
105.07030	15.3
109.10168	18.4
120.08159	22.3
130.77988	10.8
131.08549	11.3
136.07545	12.2
143.08548	18.1
145.10168	14.2
148.95865	13.8
151.42674	11.5
159.11681	15.5
161.09702	23.1
167.08536	13.9
171.08032	27.6
173.09570	11.5
182.98338	11.4
185.09758	12.9
187.11340	13.3
195.11829	20.2
209.09648	12.0
211.14906	26.7
227.14401	51.4
239.14555	13.9
245.15411	16.1
255.17378	19.4
258.85013	13.6
265.16074	25.3
268.73010	12.4
280.00397	11.8
283.16931	84.6
301.17920	100.0
319.18887	79.7
337.20010	70.8
365.19647	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45697	1.2
59.06848	1.2
67.71046	1.3
70.06580	100.0
72.08131	1.4
75.90788	1.4
86.09692	20.5
91.22418	1.3
116.07084	17.0
123.61488	1.2
127.08670	65.4
142.86862	1.6
155.08142	50.0
160.51993	1.4
169.50148	1.3
183.15062	1.3
186.01816	1.5
217.98747	1.4
240.17075	9.1
268.16534	20.3
292.61319	1.7
340.91605	1.6
357.18936	1.5
383.22687	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	31.8
69.03397	22.8
79.05493	21.0
81.07040	51.4
90.26011	19.3
91.05489	41.6
91.71667	24.4
93.07037	100.0
95.04939	29.6
95.08598	49.0
105.07021	76.6
107.08585	43.9
109.06512	27.3
109.10148	29.9
109.43722	17.3
109.51777	19.1
119.08569	54.1
120.76282	21.9
121.06429	23.4
121.10139	48.2
127.05096	20.4
130.23975	22.6
131.08577	46.0
132.30626	19.8
133.10100	37.6
137.27710	19.1
142.07829	28.2
145.10155	27.4
151.07538	31.2
157.10046	23.4
161.09618	37.0
165.09084	24.9
203.14452	23.7
221.15399	51.4
289.76138	24.4
310.35339	25.7
383.25745	54.5
392.93417	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47330	8.6
52.92839	8.5
53.03931	7.5
55.05509	15.1
57.07058	16.9
59.04994	9.1
59.13000	8.1
59.73441	9.5
63.71523	7.9
67.05489	36.8
67.41099	9.4
69.03417	19.8
76.94170	9.7
79.05481	23.1
81.07052	38.2
83.05007	11.9
83.08650	12.7
83.34845	10.0
85.06550	15.3
91.05469	56.5
93.07040	100.0
95.04975	37.1
95.08611	49.0
95.64492	10.1
97.06544	22.6
105.07037	91.7
107.08605	51.2
109.06528	22.5
109.10146	24.7
111.08015	14.1
117.07038	21.6
119.08572	72.8
120.09407	10.5
121.06477	11.4
121.10159	30.6
123.08063	29.2
128.06218	17.2
129.06975	14.7
131.08578	29.5
133.06459	15.2
133.10172	28.4
135.08049	14.3
138.99234	9.3
142.07822	31.7
143.08571	26.2
144.09380	12.1
145.10143	28.1
147.08060	29.7
147.11702	18.8
149.09647	21.4
151.07581	31.5
157.10117	45.5
159.08075	15.1
159.11777	12.1
161.09683	12.8
163.84116	10.1
165.09088	26.2
173.09630	11.6
175.11230	19.1
185.13310	19.0
193.10048	9.9
203.14392	13.0
214.01770	11.9
221.15355	52.6
252.53908	12.9
280.67004	12.9
314.99673	14.3
368.19046	11.6
383.25699	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	29.1
57.07054	14.5
57.52324	11.9
67.05482	38.6
69.03416	13.9
69.07061	18.0
69.87939	15.6
78.75700	13.1
81.07049	51.2
81.36598	15.3
83.04965	19.1
85.06535	15.2
91.05472	51.8
93.07041	100.0
93.46293	14.1
95.04937	20.9
95.08594	65.0
95.09183	11.4
105.07021	77.7
107.08592	43.4
109.06503	18.3
109.10168	25.5
114.65410	13.5
119.08592	63.7
121.06444	20.0
121.10154	28.5
123.08074	27.6
123.54897	17.6
123.83393	14.6
131.78264	14.2
133.10124	46.1
135.08083	18.8
145.10150	25.8
147.11755	15.1
149.09592	27.3
151.07576	18.4
157.10130	23.8
165.09094	25.8
170.10785	18.6
175.11217	17.3
203.14343	26.9
221.15373	60.7
310.02527	18.3
324.85944	17.6
383.25955	35.7
398.45053	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.9
56.94487	11.7
57.07076	94.9
67.05501	21.6
69.03439	13.7
73.94827	10.3
78.60912	13.7
79.05468	14.0
80.09168	12.5
81.07059	25.2
89.06020	59.4
89.54434	11.3
91.05504	36.7
93.07034	100.0
95.05003	31.7
95.08598	26.2
99.03296	14.0
105.04541	14.2
105.07058	56.7
107.08601	30.8
107.74448	10.7
109.06538	12.4
119.08611	37.6
120.32788	12.4
121.06512	75.6
121.10178	20.3
123.08096	26.4
131.08652	15.4
133.10184	17.1
142.07840	13.7
145.10110	17.1
147.08148	17.0
147.11687	24.8
151.07600	20.2
157.10231	19.2
162.09230	15.6
165.09193	44.9
171.11589	16.9
175.11252	19.4
199.79509	13.9
221.15446	55.5
248.95297	16.0
271.15518	47.2
383.26251	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33923	10.1
54.35894	7.2
55.05499	18.2
57.03385	8.4
57.07048	10.9
58.06595	9.7
62.16134	7.6
63.47496	7.4
66.91084	8.3
67.05489	40.4
69.03424	16.5
69.07032	16.2
79.05489	25.8
81.07040	38.7
85.06521	12.8
91.05473	44.4
91.64159	9.4
93.07026	100.0
95.04957	30.1
95.08595	37.3
97.06535	11.3
105.07034	73.4
107.08621	48.7
109.06522	28.9
109.10175	20.0
111.08104	11.5
111.86918	10.0
114.20708	8.8
119.08558	51.0
121.06513	22.3
121.10154	36.3
123.08042	21.0
131.08560	25.7
133.10118	21.8
135.08102	21.7
137.09673	14.0
142.07729	22.0
142.50272	9.7
142.51427	10.9
143.08571	12.3
145.10153	22.9
147.08046	19.5
147.11629	11.5
149.06030	10.6
149.09579	21.9
151.07544	36.0
155.08614	11.1
157.10120	36.5
159.11618	10.9
161.09621	16.2
165.09142	31.5
174.81029	9.6
175.11188	17.6
177.08948	9.6
179.17496	9.2
185.13235	11.0
203.14316	18.1
209.13040	10.3
221.15326	52.6
242.53407	10.1
354.95740	12.8
383.25568	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11597	6.8
55.00531	6.5
55.05510	12.3
57.83289	6.8
65.24386	7.1
67.05213	7.0
67.05501	47.6
69.03429	9.2
69.07053	12.6
74.07333	8.2
79.05511	27.2
81.07050	53.8
83.08636	14.4
91.05486	46.9
92.32329	8.1
93.07034	100.0
95.05004	21.2
95.08604	66.8
97.06554	20.9
100.76304	7.9
105.07023	78.4
107.08569	45.5
109.06538	29.3
109.10180	25.7
117.07030	13.9
119.08600	56.8
121.06544	12.6
121.10106	50.1
123.08100	18.3
128.06329	11.4
129.07040	15.8
131.08615	26.4
133.06464	9.2
133.10172	32.0
135.08095	23.8
135.11691	10.8
137.09660	13.8
142.07841	13.8
143.08560	16.0
145.10181	35.5
147.08121	27.5
147.11702	17.4
149.09668	21.2
151.07587	29.9
157.10190	29.2
159.08168	9.9
159.11792	21.1
165.09135	22.2
169.10265	12.3
175.11174	13.4
175.14923	10.8
185.13318	15.8
187.14922	9.7
189.12859	8.4
203.14394	17.3
215.14337	9.4
221.15318	46.2
233.15587	14.4
244.08113	9.2
348.23611	10.9
383.20581	24.0
383.26001	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	383.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77838	4.6
50.85239	5.5
50.88905	4.3
51.13953	4.7
53.98228	5.1
55.50898	4.8
59.06197	5.0
60.70705	5.4
62.98407	6.1
63.68856	4.8
70.56577	5.9
79.53750	5.8
94.79948	5.8
107.43127	5.8
126.73795	8.7
131.22487	6.8
211.33435	6.9
226.76505	7.0
236.23920	7.9
383.27612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49131	2.2
55.53976	2.6
57.07068	100.0
58.62022	2.1
61.45700	2.5
65.18095	2.2
73.08303	2.7
79.52679	2.3
83.33469	2.5
89.06025	48.5
90.06399	2.4
91.05462	16.3
91.71033	3.5
93.07028	27.4
95.04961	14.7
95.54276	2.4
103.05508	10.0
105.07060	4.9
119.04981	4.2
119.08563	4.0
121.06496	83.9
130.08672	9.1
133.08588	23.8
135.08168	3.3
147.08113	5.2
153.01530	3.3
165.09126	36.9
177.11385	3.4
183.10175	3.7
183.23534	2.8
198.79027	3.0
209.11818	7.5
233.19073	6.5
271.15363	61.0
271.18130	3.9
383.27661	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	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04948	2.5
53.68767	2.8
55.05500	8.3
57.03424	3.2
57.07065	4.5
60.96130	2.7
66.57202	2.9
67.05494	9.9
69.07050	11.0
71.08610	9.4
79.05484	5.5
80.33012	3.1
81.07053	27.8
85.47521	2.8
91.05465	3.9
93.07037	14.6
95.04965	6.4
95.08593	15.5
97.06542	5.4
105.07027	9.3
107.08633	4.2
109.06507	34.3
109.10171	3.6
119.08601	6.6
121.10139	4.9
133.10170	4.1
165.12747	32.8
169.60399	4.0
235.16963	10.5
291.23160	100.0
309.24042	4.7
383.27917	28.5
409.32507	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	383.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.6
60.23337	2.6
60.32448	2.5
62.20741	3.0
66.67627	3.0
70.51508	2.9
72.08144	100.0
81.64159	2.9
92.94306	3.5
130.80627	3.5
163.29524	3.1
166.69249	4.0
174.55862	3.6
191.33444	3.8
322.04422	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	384.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47857	2.6
55.05476	3.4
57.63530	3.2
58.23378	3.5
58.44925	3.1
58.56686	2.8
61.89710	2.9
65.22227	3.1
67.05491	15.8
69.07081	4.1
70.06585	8.6
71.01330	3.8
81.07065	3.4
84.04488	4.7
84.08135	8.1
86.09664	6.2
91.05463	27.5
95.04968	5.9
106.06577	3.4
107.04948	100.0
107.07404	4.1
119.04946	16.6
121.06492	18.0
131.08516	4.3
133.06502	6.7
135.04404	9.8
137.05981	80.1
138.49451	4.0
141.09193	4.3
142.37437	3.9
145.06493	12.7
147.04436	7.4
147.08046	4.5
157.06508	13.2
159.08104	13.7
161.09581	9.2
167.08653	4.1
185.09657	12.1
203.75458	4.0
213.09070	6.1
231.10109	6.7
274.82559	4.7
367.15353	71.1
377.99377	5.0
384.17917	21.8
395.69031	4.4
399.83466	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	384.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19836	2.0
60.50343	1.5
70.06573	11.1
84.04493	3.0
86.09699	6.7
91.05472	58.5
92.62018	2.0
95.04974	3.5
96.61803	2.4
107.04942	34.8
114.24326	2.3
116.07061	3.0
119.04926	93.7
120.05718	2.8
121.06502	8.3
123.04366	3.5
134.66429	2.5
136.07684	2.8
137.05962	10.2
151.42281	2.7
164.07030	4.3
165.07001	3.2
167.08580	7.2
177.07007	3.4
186.34700	2.0
190.64146	2.7
195.08092	5.6
199.96996	2.0
213.09090	100.0
225.09004	2.9
241.08672	6.4
328.99762	2.3
366.17065	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	384.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19643	1.2
54.52244	1.2
65.03939	1.5
66.76929	1.2
67.05482	7.3
67.71761	1.3
68.47809	1.2
68.78985	1.2
70.06575	3.8
79.05491	2.2
81.07033	2.1
82.97018	1.2
90.43985	1.4
91.05461	18.1
93.07040	1.9
94.88113	1.3
95.04952	6.7
107.04945	100.0
109.06512	3.7
110.07243	1.5
115.25978	1.5
119.04942	13.4
121.02824	1.8
121.06509	10.2
122.06051	2.1
123.04387	2.6
125.05997	1.6
131.08565	1.6
133.06520	4.9
135.04434	3.8
135.07970	1.9
137.05968	42.3
141.07004	1.8
143.08496	2.0
144.05780	2.7
145.06482	14.7
147.04451	2.0
147.08051	1.9
157.06490	9.1
159.08026	12.4
161.09637	5.6
167.08553	2.3
170.07195	2.8
171.08086	5.8
173.09622	1.6
177.07051	2.3
185.09592	10.1
187.07515	5.4
189.08984	2.0
195.08049	5.8
206.32751	1.8
213.09076	15.8
227.10643	1.7
229.08568	2.4
231.10202	4.4
241.08496	1.6
243.10167	4.0
367.15378	56.4
383.04813	1.7
384.13217	2.4
384.18045	30.2
395.09955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03389	0.8
58.78559	0.8
60.04507	3.8
61.82426	0.8
62.78848	1.0
65.03925	1.3
67.05492	3.6
69.03406	1.0
70.06575	4.4
71.01372	0.9
71.04974	2.7
72.08134	3.5
79.05490	1.6
81.07044	2.9
83.04960	1.6
84.04441	1.0
84.08138	8.3
85.02901	2.0
86.09695	4.4
91.01923	0.9
91.05476	15.4
95.04968	4.0
107.04949	100.0
109.06496	1.3
111.04444	1.2
117.06989	1.4
119.04936	15.8
120.08083	1.1
121.02779	1.8
121.06490	3.4
121.50803	0.9
123.04427	1.6
125.06020	1.6
128.06218	1.5
129.06995	1.3
129.10266	3.3
130.04991	1.4
131.04903	1.6
131.08595	2.6
133.06482	4.0
135.04468	2.2
136.07623	5.0
137.05972	30.1
144.05675	3.3
145.06482	11.9
147.04417	1.5
147.08026	4.7
149.05980	1.2
152.06187	1.3
153.06905	1.7
157.06467	13.8
157.10146	1.6
159.08051	5.8
160.07677	1.4
161.09647	5.2
165.06955	1.6
167.08534	7.9
169.06468	1.6
169.07744	1.3
170.07269	2.1
171.08012	6.5
177.07016	3.9
185.09641	10.5
187.07550	5.6
189.09064	1.2
195.08046	7.5
203.07056	1.4
213.09116	22.4
231.10123	5.3
241.08601	2.4
243.10063	1.6
349.14310	2.1
367.15366	52.4
368.15805	1.3
377.35913	1.1
384.17996	19.7
402.37112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05500	9.7
56.05029	6.6
61.99746	2.2
67.05497	7.2
69.03407	2.6
69.07046	8.3
79.05091	2.6
79.05499	17.7
81.07050	18.4
83.04980	3.3
83.08598	6.2
84.04493	100.0
86.09697	2.7
91.05484	17.7
93.07043	10.6
93.64079	3.5
95.04980	4.9
95.08605	5.8
97.06510	6.3
97.50105	2.7
102.05534	36.0
105.07021	12.8
107.04967	10.0
107.08586	9.4
109.06513	10.0
111.08083	3.2
114.24458	3.0
117.07011	10.9
119.08595	9.3
120.08133	3.7
121.06525	5.9
123.08054	2.9
130.04988	58.3
131.08554	13.9
133.06407	4.0
133.10167	3.9
135.08107	3.7
137.06055	2.9
145.10181	4.5
148.06050	41.8
150.91795	3.7
151.07620	3.8
156.89859	2.8
159.11725	10.5
161.09596	3.7
173.13246	11.6
189.12720	6.7
196.25879	3.2
201.12778	9.5
209.76080	3.4
212.85143	2.9
219.13835	12.8
237.14871	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	384.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64972	11.6
74.01215	13.6
81.07037	18.2
84.04487	100.0
91.05475	17.6
102.05521	29.6
130.05003	55.3
137.09845	17.0
148.06007	60.7
160.28012	15.3
263.16385	50.2
332.83704	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25392	3.1
54.39319	2.9
55.05517	4.1
59.12127	3.6
63.44758	3.7
65.43373	3.1
67.05495	30.4
67.32552	3.3
69.07048	12.9
70.20779	3.4
70.48457	4.2
79.05476	8.9
81.07053	31.6
86.43427	3.8
91.05473	10.1
93.07048	13.8
95.08611	18.0
98.32073	3.8
103.05470	15.9
105.07017	6.6
107.08578	7.2
109.10173	5.5
117.06982	9.9
123.04449	13.5
126.19270	4.0
128.97441	4.2
131.04955	24.7
137.06007	22.7
140.00021	3.9
145.06529	12.7
149.05969	38.8
161.05977	11.9
163.07541	14.5
166.46431	4.3
173.06035	9.9
175.07605	6.3
246.46001	4.6
367.27362	4.3
384.28918	100.0
388.58185	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	384.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01480	1.8
55.05516	6.5
67.05507	10.0
68.58997	1.8
69.07066	4.6
71.31142	1.7
72.99847	1.7
79.05518	3.3
81.07081	9.4
85.18859	2.4
93.07039	3.1
95.08630	9.4
97.10233	2.7
105.07025	100.0
109.10159	3.5
114.90784	2.3
120.08106	2.8
122.09670	31.5
122.10477	2.9
136.19745	2.7
146.09708	3.0
170.31133	2.5
185.78377	2.2
384.32513	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	385.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80873	1.4
52.90426	1.3
60.15910	1.5
61.02921	1.5
62.90941	1.4
69.03421	5.7
78.10067	1.6
85.02905	7.3
94.97913	1.7
97.02882	1.7
107.51905	1.6
108.27399	1.7
108.30081	1.7
127.03990	1.7
150.09106	6.4
154.08617	3.8
159.73535	2.0
160.11217	26.3
162.09114	3.3
170.09673	2.8
173.08360	4.9
176.10773	2.8
178.12273	4.1
187.12267	4.5
188.10660	29.0
203.39920	1.9
205.13351	7.4
206.11748	47.8
223.14391	100.0
282.70316	2.0
315.27972	2.1
320.86395	2.1
385.19678	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	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
76.80180	8.1
78.92406	9.4
88.19489	8.8
88.60301	10.1
115.29853	11.3
128.45520	9.7
138.09392	10.7
148.80852	10.7
158.15633	12.1
160.37012	10.7
353.71448	11.5
385.19766	100.0
392.10651	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39098	2.5
52.54843	2.7
53.94167	2.4
56.05019	3.0
61.75463	2.6
66.85155	2.4
73.75221	3.3
81.07060	3.2
83.40366	2.8
84.08133	100.0
86.09694	4.7
97.68831	2.7
105.43446	2.9
126.09148	47.3
134.28827	3.2
143.55141	3.3
165.68607	3.8
168.21205	3.2
193.62105	3.3
322.17569	4.0
385.21176	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	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62136	48.9
55.73603	42.5
57.07064	59.2
67.53563	55.5
69.07047	100.0
73.66080	49.9
77.44440	62.3
79.31337	57.5
87.36805	70.7
97.10179	81.7
129.78767	65.6
147.36853	74.3
221.01405	67.6
247.94328	68.9
339.72278	77.3
364.45770	82.6
395.60464	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68089	11.7
66.34882	9.6
72.61323	10.6
77.06413	10.9
79.26663	11.7
103.56139	14.6
138.63408	13.7
150.63130	17.9
165.09042	15.3
203.03003	12.5
326.64410	14.3
355.25702	15.7
382.33066	15.3
385.26752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32172	0.4
55.05511	0.5
58.99575	1.4
60.10673	0.4
65.03920	4.2
68.05024	3.8
70.06584	1.3
79.91981	0.5
85.01106	3.9
85.02914	0.8
86.09686	2.9
88.02225	4.9
89.02573	0.6
97.02883	0.8
98.00631	3.1
99.02673	6.6
122.07139	0.6
126.03735	100.0
127.04016	0.6
132.10185	1.7
134.02711	5.1
135.03032	0.8
136.06190	7.2
137.06512	1.3
178.37860	0.6
224.01389	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	386.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54410	28.8
67.05493	38.1
67.22849	32.1
76.04181	40.4
78.90362	35.3
81.07034	60.7
83.33405	36.7
84.04484	100.0
93.07076	36.8
95.08592	44.7
96.62843	41.7
102.05514	94.5
104.74072	36.4
130.04997	86.7
135.67526	43.1
148.06052	70.4
148.78598	37.8
162.59973	44.6
175.14952	46.2
184.76660	40.7
209.66797	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	386.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72728	7.0
55.05503	14.8
56.04315	7.1
62.57435	7.0
63.94696	7.2
67.05481	25.2
69.07051	15.2
72.78597	7.8
76.90524	7.7
78.52190	7.9
78.97424	7.0
79.05479	12.2
81.07037	25.8
83.08577	14.0
84.04494	100.0
91.05481	20.2
93.07043	15.2
95.08597	17.2
97.06542	14.4
102.05536	35.7
102.52805	7.9
105.07043	20.4
107.08563	12.7
119.08599	20.5
123.08044	20.7
130.04980	52.9
137.09534	9.6
140.87799	8.7
148.06081	47.0
175.14841	13.1
186.29024	10.3
203.14252	15.3
221.15535	15.1
240.87968	8.3
245.95480	10.4
368.11081	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	386.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13199	3.6
55.05513	3.6
70.06596	8.7
72.08145	100.0
72.08518	5.4
79.62309	4.5
84.08140	84.8
86.09721	6.3
91.71652	6.0
92.56853	5.0
98.09739	4.9
109.10857	4.0
112.11246	57.5
112.11852	4.8
129.13947	14.9
146.06093	6.1
164.07117	5.6
165.07086	5.7
176.66437	5.3
250.12370	6.9
271.18097	8.5
274.07391	4.8
283.68610	6.1
294.14978	7.2
325.22723	6.8
353.59589	5.1
368.11502	7.1
368.23462	6.2
369.21878	14.0
386.24396	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	387.1551
Annotation	GS-1
Peak:m/z	Relative Intensity
51.00443	3.5
52.88832	2.6
54.47545	2.7
56.15637	2.8
63.29896	2.9
67.05498	3.5
84.04505	28.2
85.02897	18.6
91.05461	7.0
92.84884	3.2
95.04958	7.1
102.05545	10.7
102.67622	3.2
107.04949	38.8
109.82137	3.2
111.39841	3.4
118.06545	13.4
119.04976	5.8
123.04462	4.5
130.04993	74.0
130.06514	7.1
143.07350	6.5
146.05995	43.4
156.08072	15.8
161.14342	3.4
171.06760	9.9
177.06914	3.9
184.07643	11.3
202.08640	6.4
240.10188	44.0
244.08478	4.7
250.12259	9.9
255.59651	3.9
258.11227	34.6
260.10739	14.0
278.08694	4.8
278.11728	100.0
305.12766	9.2
306.11139	70.7
323.13916	27.9
324.12250	36.9
341.15005	15.9
351.13306	7.1
352.11798	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
53.03935	0.3
57.03416	0.3
58.58649	0.1
61.02911	0.1
69.03419	1.8
69.32278	0.1
71.05008	0.1
77.03901	0.3
79.05480	2.7
81.03401	0.4
83.04966	0.6
84.95493	0.1
85.02892	0.5
91.05479	0.9
91.89051	0.1
93.07038	2.1
95.04958	1.8
95.76999	0.1
97.02859	0.2
103.05466	2.5
105.07021	100.0
106.07366	0.7
109.06525	0.1
111.04440	0.2
118.06539	0.4
119.04927	1.8
121.06507	2.6
122.09656	0.2
129.05476	0.4
135.62315	0.1
144.08032	0.2
147.06540	0.2
192.63132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95031	0.7
60.72714	0.7
65.61884	0.8
69.03432	1.1
79.05485	3.2
87.28763	0.8
93.07034	2.1
95.04960	1.5
103.05463	2.1
105.07024	100.0
113.34056	0.8
121.06498	1.0
295.25671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73330	0.2
64.46306	0.3
67.05485	0.4
69.03416	1.5
74.71495	0.3
75.68526	0.3
77.03893	0.4
79.05479	2.5
81.03406	0.5
83.04955	0.6
91.04019	0.3
91.05479	0.6
93.07027	1.8
95.04950	1.8
101.14015	0.3
103.05452	2.2
105.07022	100.0
105.36785	0.3
106.07360	0.6
114.75109	0.3
115.25275	0.3
119.04939	1.1
121.06487	2.1
129.05380	0.5
160.23792	0.3
278.11209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.0
57.07066	23.2
57.48721	1.5
61.46650	1.7
62.98377	1.4
70.07693	1.9
71.04985	23.4
83.04969	29.9
87.48272	1.6
91.05463	3.2
95.04964	7.2
95.23769	1.8
96.92617	2.0
101.06013	8.3
105.07024	47.6
128.36867	2.0
129.07008	1.7
147.08121	2.5
147.11751	1.9
164.55960	1.8
175.01540	100.0
180.37065	1.8
180.72801	2.1
192.04276	3.3
216.04227	8.5
231.07808	5.1
273.28165	2.3
275.06790	5.2
331.13007	77.4
387.19211	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	387.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18157	2.1
51.50579	1.8
51.59359	1.9
56.60830	1.8
68.75777	2.1
132.95168	2.5
210.00607	2.7
252.64336	2.8
268.46320	2.5
270.33710	2.8
352.89508	2.8
387.21359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41560	3.8
67.20406	3.8
82.97360	4.3
91.76792	4.3
105.07025	100.0
115.35030	4.1
154.28093	5.2
205.00418	4.3
387.21280	51.9
400.62598	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	387.214
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66164	2.9
74.76387	3.3
78.85294	3.1
92.82648	4.0
99.19746	3.5
105.07020	11.7
113.58346	3.3
163.33905	3.8
249.91617	4.0
264.39673	3.9
369.46191	3.8
387.21338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	3.7
57.38324	3.2
72.49187	2.9
79.93522	3.7
81.07018	3.6
91.55001	3.9
95.64732	3.0
114.63091	3.7
139.89424	3.9
142.63492	3.5
173.18872	3.7
175.01610	8.0
219.35420	4.4
307.74710	5.1
331.13177	4.8
387.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77431	7.2
52.44235	7.6
53.37125	7.7
54.50106	8.7
55.05500	13.9
57.03415	13.4
65.03922	12.9
67.05499	77.3
69.07051	21.0
72.93349	9.0
73.30350	7.1
73.71490	9.4
73.95178	8.4
74.87993	7.9
79.05490	45.7
80.09507	8.9
81.03412	10.4
81.07056	61.6
83.04991	11.5
86.09692	12.8
91.05475	100.0
93.07034	48.1
95.04935	20.3
95.08578	47.1
101.54367	10.4
105.07018	69.6
107.08600	24.5
109.06483	11.6
109.10136	15.7
115.89973	10.1
117.07033	92.8
119.08593	33.0
121.10172	22.1
123.08080	12.0
123.11759	10.8
127.03911	32.2
128.06238	18.1
129.06992	43.5
131.08562	65.7
133.10156	25.9
135.11755	18.8
140.88416	10.4
141.06984	33.8
142.07707	12.4
143.08545	48.4
145.10130	27.7
147.11731	16.2
155.07149	17.3
155.08586	27.1
157.10133	27.1
159.11751	24.3
167.08571	19.9
169.10123	31.4
171.11685	30.5
173.13297	20.6
179.08525	13.6
181.10168	23.4
181.35551	9.2
183.11653	18.5
185.13213	17.7
195.11725	13.8
197.13197	18.7
199.14813	20.0
213.16460	17.6
225.16408	10.9
239.17896	14.6
257.39417	11.6
263.17709	11.5
265.19568	10.4
291.20923	17.9
309.22037	15.4
323.59171	10.4
337.21524	20.6
351.23380	11.7
355.23004	13.2
369.23972	13.4
387.25378	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	387.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71415	3.9
52.83538	3.8
55.81913	4.1
59.58381	4.0
70.06602	18.3
72.08174	17.0
84.04522	4.9
84.08138	62.2
86.06066	5.8
86.09695	100.0
87.58794	5.8
97.19024	6.0
110.31937	6.2
115.60688	5.6
129.10294	24.6
135.08232	4.9
144.10173	28.0
161.12814	24.8
169.03191	10.7
197.24675	5.6
274.21411	7.1
296.57095	5.7
387.25928	30.4
389.44269	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93242	3.4
51.36970	3.3
55.05502	29.4
56.05024	4.7
57.03163	5.6
57.03431	90.1
57.07045	8.7
58.39346	3.1
60.58071	3.2
61.02905	14.3
67.05496	77.5
69.07057	44.6
71.08602	5.0
75.04471	40.1
79.05463	5.8
81.07048	83.2
83.08619	25.5
91.71010	4.5
95.08601	100.0
95.09164	9.2
96.78253	3.8
97.10166	9.5
98.06049	8.2
98.35313	4.9
100.97282	4.1
103.03928	16.1
104.92726	4.0
105.07041	12.3
108.17865	4.3
109.10156	39.8
111.11718	11.6
117.05492	92.0
117.75150	4.5
123.11715	10.3
129.90538	5.0
135.06570	7.4
137.13202	10.2
151.14772	7.2
196.67244	4.3
207.21132	12.7
225.22179	14.2
233.68819	4.9
256.89639	6.3
305.05090	5.5
309.24283	7.1
327.25247	34.0
387.21335	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	387.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.3
62.63158	0.1
65.03928	2.1
67.05492	0.5
69.07060	0.5
71.08623	1.1
72.50702	0.1
78.99725	0.1
81.07063	0.8
83.08603	0.6
85.10181	0.7
91.05471	100.0
91.71060	0.2
92.05788	0.4
95.08612	1.0
96.26323	0.1
97.10165	0.4
102.69711	0.1
103.73146	0.1
105.07076	0.2
108.08115	0.4
109.10151	0.4
111.11732	0.2
114.01398	0.1
119.08532	0.2
120.01733	0.1
121.06555	0.7
123.11706	0.4
132.08075	1.1
133.10052	0.2
135.11691	0.2
137.13293	0.1
159.11850	0.1
239.23665	0.3
346.31009	34.4
347.31360	0.5
363.33752	0.2
387.32867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12195	1.7
56.05020	2.7
65.03942	4.8
67.05501	15.6
70.06585	6.5
72.08134	2.7
74.00658	3.9
75.01436	2.5
84.04503	32.4
86.09706	2.2
95.04976	3.9
99.02678	27.8
101.70908	1.8
107.66794	1.7
110.05977	1.8
127.02132	13.9
128.78687	1.7
130.05022	4.6
131.80568	1.7
138.05507	35.8
142.03242	3.0
149.07141	2.4
155.01186	1.9
170.01236	4.8
170.02710	100.0
177.48438	2.2
182.45898	1.9
213.06972	6.4
222.64687	2.0
242.04759	14.3
259.07474	25.8
266.23749	2.5
268.09424	2.2
269.99683	2.0
371.09009	2.3
388.11700	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	388.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48576	2.4
67.05469	3.3
70.06577	5.8
70.46777	2.8
74.97400	2.6
79.05477	5.1
83.99550	2.7
84.04495	9.5
86.09697	4.1
92.04993	9.7
94.06544	3.8
99.04475	3.4
103.03931	5.1
106.06583	9.8
111.21580	2.8
112.42449	3.2
120.04452	12.9
124.07642	3.1
127.02076	3.5
134.06007	20.2
136.07574	11.4
138.05481	6.3
148.03903	8.1
150.05515	8.9
152.06985	5.0
162.05496	55.5
164.07079	7.1
170.02698	24.1
180.06548	11.0
189.04016	6.9
190.04996	12.8
194.04466	33.9
194.05869	3.0
194.06506	4.3
194.08096	27.4
198.07610	31.4
208.05997	21.4
218.04556	11.6
222.07655	10.2
224.05540	6.6
236.05568	15.0
244.60654	3.4
250.07074	11.0
259.07535	6.5
264.08588	6.6
282.09772	13.5
310.09296	8.6
342.11813	3.8
370.11279	100.0
388.12164	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	388.139
Annotation	periglaucine C
Peak:m/z	Relative Intensity
54.31688	1.8
55.01856	2.2
57.03427	3.1
60.61155	2.1
65.67092	2.0
69.03406	2.9
69.20858	1.9
69.34423	2.1
70.06567	2.5
75.36915	1.8
76.46013	2.3
85.02893	28.0
91.05466	7.0
91.70981	5.0
95.04967	3.3
107.04945	40.5
118.06545	7.3
119.04942	6.7
119.91366	2.4
121.06494	2.8
123.04428	5.1
129.07025	2.6
130.06516	3.4
131.04941	4.0
133.06509	2.3
143.07307	4.5
146.06010	19.5
147.95595	2.6
156.08109	14.3
171.06750	4.4
172.07617	5.9
184.07585	18.6
195.08047	5.1
202.08647	9.1
210.09203	3.2
211.09894	5.1
222.09149	6.9
240.10167	12.2
250.12225	10.3
260.10541	13.4
278.11731	76.4
288.10220	5.1
306.11191	54.7
324.12314	72.4
334.10727	7.0
342.13211	5.2
343.98935	3.3
352.11758	100.0
370.12827	15.6
391.48865	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	388.179
Annotation	Nemonapride
Peak:m/z	Relative Intensity
50.17152	4.9
56.96552	47.4
59.04978	5.4
80.19012	6.0
90.17513	5.5
140.51419	6.7
202.10362	6.6
203.63881	7.0
243.61176	7.2
301.14807	11.9
319.15793	67.8
337.17023	10.1
342.17169	36.8
360.18207	14.6
365.16367	10.8
388.17883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47831	1.3
53.06494	1.4
54.95815	1.3
56.05040	1.3
66.81680	1.4
70.06574	8.0
70.96081	1.4
72.08160	2.1
73.06522	1.6
79.00551	1.7
84.04512	1.5
84.08150	5.9
84.75855	1.4
86.09699	7.9
87.04453	5.9
87.48565	1.6
89.06025	100.0
90.05514	2.1
91.71703	3.2
101.55778	1.7
102.23844	1.8
107.07079	1.8
130.08624	19.5
131.07141	2.2
131.71379	1.7
133.08601	65.4
164.07057	1.9
177.11209	18.5
254.07965	1.9
283.17401	3.2
318.60358	2.0
327.20135	3.2
371.22745	26.4
388.17365	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89830	5.6
55.05502	9.0
57.07076	6.5
59.48059	6.6
62.99267	6.7
64.10625	7.0
65.69390	6.7
67.05486	6.9
69.07057	22.5
72.03451	6.9
73.42384	6.4
78.87171	6.4
80.53265	6.3
81.07042	13.4
84.04490	78.0
89.21778	7.1
102.05531	37.8
113.00010	7.5
125.75438	8.7
130.05005	58.2
134.89587	8.1
139.92117	8.5
148.06038	100.0
148.68591	7.7
155.21170	8.6
163.99069	7.5
258.83279	7.5
270.65533	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	388.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	18.4
55.05498	17.2
55.34438	10.3
55.55026	9.9
64.94193	11.0
67.05495	83.5
70.06598	15.0
79.05500	43.2
81.07079	38.8
82.77338	9.6
91.05457	76.6
93.07029	61.8
95.04988	16.1
95.08616	34.4
97.06525	18.7
99.04449	100.0
105.07058	36.9
107.08608	16.9
116.24532	10.4
117.07052	30.5
119.08609	24.7
121.10187	18.3
131.08575	29.0
133.10196	27.9
139.07649	10.3
159.99951	11.8
171.21883	9.8
177.39908	12.1
329.24811	21.5
388.32025	89.6
412.77045	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	388.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	7.1
61.46296	2.4
71.08618	5.1
72.79082	2.5
76.64327	2.2
83.18200	2.2
83.72370	2.4
85.10157	3.2
95.51789	2.4
98.95822	2.8
105.07022	100.0
122.09661	29.2
135.91833	2.6
137.43016	2.7
139.81247	2.8
146.09654	3.6
299.95834	3.4
388.35730	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	389.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49444	9.3
60.38929	8.0
70.06581	38.3
72.08153	18.8
84.08121	22.3
86.09695	42.8
91.71651	12.0
94.19064	9.5
94.66501	9.4
106.32106	9.1
128.25529	11.4
129.86404	10.2
190.89998	9.3
211.73912	9.9
269.84030	11.8
306.96719	11.7
313.11563	26.3
357.10544	100.0
389.13129	40.7
389.17688	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	389.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90565	4.1
65.49702	3.9
65.98244	4.0
70.06572	5.8
73.81055	4.5
77.01758	4.3
84.08138	8.2
89.16030	4.7
114.13486	5.0
118.06533	9.0
123.04427	19.3
129.05676	5.4
130.06499	5.6
132.08133	6.5
146.06013	15.8
157.05244	20.1
158.06017	9.2
165.06972	11.1
167.27379	5.1
170.05972	7.5
172.07552	7.6
180.63972	6.1
186.05466	33.2
192.08075	8.0
220.07652	14.3
238.08571	32.9
248.07068	10.5
256.09677	20.3
262.08499	11.5
264.10196	6.3
266.08072	100.0
280.09677	63.9
282.11130	26.8
284.09259	7.1
290.08154	21.4
294.82666	7.0
308.09073	77.8
312.08646	69.9
325.11868	34.6
326.10101	11.9
339.90234	7.2
343.13043	15.4
371.12381	28.5
377.63721	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	389.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01347	2.4
56.05034	3.1
60.08165	2.5
65.03944	4.3
67.05485	5.2
70.06583	24.0
71.41145	2.7
72.08125	9.3
75.97739	2.7
79.05484	5.0
81.57021	2.7
84.04496	3.1
84.08116	5.2
86.09698	14.9
91.05486	3.3
93.03387	4.7
94.06560	47.3
95.04970	8.5
106.06553	12.8
108.08094	4.6
116.07095	5.4
120.04494	4.0
122.06028	26.9
123.04441	5.8
134.06004	100.0
136.07581	38.4
150.05484	5.0
152.07072	16.3
160.03912	36.5
162.05611	3.5
164.07062	78.8
165.04198	3.7
166.08656	14.9
180.06549	5.5
182.08199	4.9
188.03384	8.1
220.06041	44.9
227.11667	4.7
233.39265	3.4
237.10233	3.3
277.14252	3.1
287.13925	5.9
295.25381	3.0
311.10364	4.8
315.13312	46.9
371.12259	15.0
389.26639	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	389.1707
Annotation	GS-3
Peak:m/z	Relative Intensity
51.91570	2.2
53.85780	2.9
60.45701	2.8
65.03937	4.3
67.05525	2.7
79.04338	3.4
79.05508	5.9
82.69756	2.8
91.05483	6.8
92.05013	4.4
93.07040	24.7
95.04957	6.8
100.41724	3.1
103.05495	3.9
105.53242	3.1
116.05027	9.4
119.07375	3.6
120.04529	4.4
120.08121	20.2
122.06004	3.3
136.07629	3.5
143.91246	3.5
144.04393	20.1
146.44142	3.1
148.07579	30.2
150.65572	3.0
162.05507	8.1
162.48276	2.9
166.08752	5.8
172.03938	70.4
195.76215	3.2
204.06554	100.0
217.84499	3.1
339.13297	51.9
357.14670	12.5
371.16171	12.2
386.26892	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	389.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
60.52937	25.6
81.80896	30.1
85.91539	29.0
86.57980	31.5
99.91949	33.4
105.03419	61.4
115.68988	38.9
138.05711	31.1
180.52252	30.7
387.23288	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Bengamide Z
Peak:m/z	Relative Intensity
62.63808	5.2
65.00650	4.7
71.04836	4.9
230.99333	6.5
275.79443	6.2
313.86237	7.2
327.22986	9.4
371.21921	100.0
389.22601	45.6
389.27277	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36377	2.1
60.15457	2.0
73.81406	2.1
74.94452	2.2
84.82963	2.3
87.38273	2.4
91.71693	2.7
121.52472	2.6
127.78950	2.7
166.93178	2.7
179.44363	2.7
198.54008	2.8
319.94604	3.3
365.90866	3.0
389.22943	100.0
390.23264	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	3.7
70.04290	4.0
81.07039	4.9
92.42407	3.7
108.87154	4.6
156.04414	4.4
182.94933	5.0
218.69249	5.2
288.60593	5.9
311.62305	5.5
330.00143	4.4
345.23920	29.6
389.22931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21865	7.0
53.32243	7.4
59.29944	6.6
59.36452	7.0
62.90654	6.8
67.87576	7.3
78.45681	7.4
81.07050	8.0
84.00729	7.8
98.01847	10.0
117.22991	8.9
145.85023	9.5
158.23941	8.5
191.71803	8.2
199.64841	9.3
215.36903	8.6
252.04799	10.1
331.93826	9.7
339.57535	10.6
389.26700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.5
57.07060	8.1
60.20377	6.9
62.52903	8.1
64.86727	9.4
66.36280	7.8
67.05492	80.2
67.32905	7.0
69.07053	18.0
74.10613	7.6
79.05495	58.3
81.07044	96.0
83.04986	10.3
83.08634	15.2
90.60149	8.8
91.05472	100.0
93.07036	99.1
95.04980	31.4
95.08607	70.3
97.06516	12.9
105.07023	74.0
107.08589	56.5
109.06515	34.9
109.10162	36.8
117.07011	37.8
119.08557	65.0
121.06538	9.1
121.10137	41.8
123.11669	24.3
127.03929	13.0
128.06226	10.1
129.06972	20.8
131.08571	60.1
133.06490	14.0
133.10118	62.0
135.08032	10.8
135.11694	41.1
137.05867	9.3
137.13211	9.6
143.08569	37.8
145.10143	39.3
147.11688	29.5
151.07515	11.3
153.05394	9.0
155.07108	26.7
155.08565	20.4
157.10115	19.4
159.11734	31.8
161.09621	13.0
161.13258	26.9
163.14848	12.4
169.10141	15.0
171.11688	31.3
173.13298	25.8
175.14864	26.5
181.10129	13.8
183.11736	15.3
185.13264	22.5
187.14857	21.6
189.16341	23.4
197.13399	10.3
199.14801	30.6
200.25780	9.4
201.16385	27.4
223.14822	16.1
237.16339	12.7
265.19769	14.3
283.41028	14.4
288.96033	9.5
293.22592	18.7
321.22031	17.3
339.23065	32.3
353.24576	22.2
357.24231	34.1
371.25784	19.8
389.26578	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	53.9
79.05476	25.5
81.07051	38.6
86.75198	26.0
91.05465	100.0
91.34894	19.6
93.07023	43.5
100.84868	20.2
105.07044	53.2
107.08578	30.0
117.07037	39.0
119.08597	34.6
133.10091	32.4
158.17175	24.7
161.13312	31.6
168.47350	23.5
193.52834	23.3
207.10846	27.1
238.18823	32.6
354.41672	26.0
380.89206	29.1
389.27121	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.7
57.07067	18.3
64.75589	0.8
65.27738	0.8
66.79656	0.7
67.05484	3.8
69.07048	2.9
71.08617	10.5
71.24532	0.7
73.02903	2.8
81.07037	3.9
83.08607	3.1
85.10165	3.8
89.05456	0.8
89.06019	2.8
95.08597	6.6
97.10135	1.1
109.10138	2.0
113.61929	0.9
130.61111	0.8
133.08568	0.9
145.75005	0.9
155.92549	1.0
199.88266	1.2
283.26276	100.0
284.26523	1.1
397.69806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92968	7.6
51.84774	7.7
54.24937	7.5
55.05482	7.7
61.01158	65.8
69.07100	8.5
75.02690	10.0
76.73245	9.7
80.14240	11.8
82.97348	10.3
84.04490	18.6
87.02703	30.9
91.70953	11.8
107.04951	33.5
121.02884	11.5
130.05016	12.3
133.03209	100.0
143.07347	9.7
145.05183	11.3
148.06027	11.3
156.08101	24.5
184.07550	28.0
201.99518	11.0
202.08646	10.3
233.49330	10.6
250.12186	28.6
260.10751	16.1
278.11667	97.4
296.12500	15.3
310.56506	11.9
322.60876	13.9
324.12238	14.4
326.12079	42.5
338.84109	13.8
339.01538	12.4
344.12958	52.0
347.99899	11.0
372.12808	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75832	0.7
65.03928	1.8
65.16084	0.6
70.06571	1.9
72.08153	0.8
75.98744	0.7
81.83432	0.8
84.08121	2.2
88.54971	0.7
91.05470	21.8
91.71148	0.9
104.56821	0.6
106.36694	0.6
109.06500	1.0
117.78088	0.7
119.04946	8.6
123.04430	0.8
137.05966	100.0
138.06300	2.4
143.09792	0.8
152.07074	1.4
154.08609	28.8
166.02190	0.9
166.08534	1.3
185.47231	0.7
192.30020	0.8
249.38043	0.9
360.11536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06652	6.6
52.21680	6.3
52.23659	7.2
55.05478	7.2
62.10728	7.2
62.11068	8.0
67.05484	14.7
74.79662	8.3
75.17390	6.8
79.05481	12.6
81.07031	19.0
84.04488	100.0
87.10843	8.5
91.05469	25.4
93.07052	10.6
96.98611	8.7
98.80367	9.5
102.05544	48.4
105.07021	35.9
110.33594	8.8
116.56786	8.0
117.07027	24.1
119.08594	19.9
121.06519	11.1
128.06192	12.2
129.07005	18.8
130.05014	47.7
131.08540	32.2
133.06505	19.1
141.07001	16.3
145.06503	18.1
145.10185	11.7
148.06013	46.0
155.08578	39.7
157.10059	14.2
159.08051	55.0
161.09647	18.2
169.10149	11.6
173.13498	8.6
183.11761	41.2
197.13173	15.8
201.12688	54.2
215.14383	14.7
225.12820	20.0
243.13669	63.7
245.07320	10.1
297.19360	11.7
344.18750	9.0
390.19186	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	390.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53871	2.7
53.36610	2.1
55.57239	2.4
56.05028	5.6
56.44014	2.3
57.51508	2.3
67.05483	10.3
69.03413	14.5
69.07056	8.3
70.06583	3.3
79.05486	11.2
81.07048	6.9
84.04492	100.0
85.02930	4.1
86.09681	4.1
91.05478	19.4
93.07024	3.9
95.04988	3.4
97.06542	5.3
102.05535	44.4
105.07041	8.4
109.19831	3.3
115.05444	6.0
116.06276	2.9
117.07031	13.3
119.08575	7.8
121.06532	9.6
126.65379	2.9
129.07039	10.0
130.04984	41.8
131.08545	20.1
133.06494	4.2
135.08025	4.5
141.07005	9.8
142.07790	4.6
143.08533	6.2
144.05721	4.9
145.06491	12.8
145.10144	8.0
147.08051	13.9
148.06052	60.8
153.06938	3.8
155.08560	12.8
159.08051	58.9
168.09322	13.1
169.10132	4.7
173.09604	7.0
175.11148	4.8
181.10109	4.1
183.11664	39.8
192.09340	3.7
192.18477	2.9
197.13248	8.6
199.11128	3.8
201.12767	6.8
207.11694	4.2
212.70735	3.2
215.14290	16.3
225.12726	25.9
243.13800	44.5
243.16107	3.9
258.12680	3.2
261.14890	5.8
284.62509	3.0
288.98907	3.5
309.14709	4.1
344.18866	5.0
355.67358	3.5
372.17865	5.8
390.19199	9.4
400.06967	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	390.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.1
55.51294	3.5
56.05017	10.0
60.22241	3.7
60.45782	3.7
61.75237	3.7
67.05497	11.8
69.03416	5.1
69.07074	6.7
70.06578	6.6
74.98283	5.2
78.89566	3.5
79.05479	8.1
81.07068	8.7
84.04497	100.0
84.08103	8.1
86.09756	4.9
86.38435	5.6
91.05478	13.4
93.07039	6.9
93.92464	4.5
102.05532	32.9
103.37937	3.9
105.07057	9.0
110.17815	4.3
117.07020	14.4
119.08589	6.5
129.06993	12.5
130.04996	33.7
131.08577	13.1
133.36992	4.7
141.06982	10.2
145.06464	7.8
145.10107	6.5
147.08084	15.7
148.06029	34.6
149.93524	5.0
153.83136	4.8
155.08539	14.1
159.08049	23.1
168.09468	6.1
183.11694	57.9
197.13283	13.4
201.12633	5.4
207.11758	6.4
215.14191	6.1
221.58739	5.6
225.12755	34.6
243.13838	30.8
247.64592	5.4
326.17416	6.8
344.18423	7.0
372.18036	6.8
379.68002	6.2
390.19186	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	390.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31306	2.3
51.90821	2.4
55.05497	5.3
56.05026	9.0
56.73293	2.6
61.01123	11.2
62.55120	2.9
79.06674	2.9
86.09699	100.0
90.28087	3.4
104.05338	16.7
104.07105	3.4
146.06429	4.4
217.15460	13.0
239.12643	3.6
318.11310	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	390.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80967	17.2
57.41359	16.0
58.62337	14.6
66.19753	15.9
76.47649	17.6
78.38179	16.0
78.40937	16.9
87.79580	18.3
110.75662	19.0
164.98502	18.8
229.94701	19.6
287.65063	22.2
329.81982	21.6
350.26324	28.2
390.27713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16383	1.2
59.83591	1.4
63.14773	1.5
65.03921	2.9
71.08626	1.3
91.05472	100.0
91.41801	1.7
91.71710	2.7
117.07018	2.5
131.08574	3.3
152.79382	1.6
159.11739	2.6
173.13248	14.0
185.13257	2.5
343.05148	2.1
390.27869	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	16.6
113.01657	13.4
120.90413	12.1
143.50772	17.7
145.93848	14.1
149.02370	19.2
163.89688	13.1
216.87428	15.4
390.29706	100.0
390.34860	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	390.2976
Annotation	NAGABA
Peak:m/z	Relative Intensity
71.10694	6.4
75.97077	5.9
91.71095	6.4
126.23972	6.1
186.60022	6.5
222.34451	6.7
308.16437	6.9
375.76172	8.3
390.29736	100.0
391.24521	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	390.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.5
59.11454	8.3
69.07114	7.9
71.08630	8.7
77.33575	8.5
79.46420	9.7
83.08610	24.0
85.05905	9.3
95.08630	13.2
100.11235	100.0
107.08574	10.0
109.10201	12.5
135.10440	9.0
135.11665	9.4
139.59612	9.5
159.46469	9.1
161.15707	10.6
165.12703	16.1
291.23157	17.8
389.66367	13.5
390.33417	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29356	10.2
57.07054	20.7
70.06583	34.6
71.08606	10.8
73.87412	9.3
75.50398	10.1
88.07623	28.4
88.52892	9.6
91.03532	10.1
114.09146	24.0
132.10205	40.9
149.02347	23.1
179.50073	11.5
204.40408	11.0
236.06059	13.7
278.20297	13.5
348.44815	14.2
390.35764	100.0
391.24445	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	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	8.9
58.06583	4.3
63.83255	2.0
66.44490	2.2
70.06583	35.4
71.08607	4.3
72.08133	3.5
81.85658	2.6
84.08115	4.7
86.09672	4.8
88.07603	9.6
89.50544	2.5
102.09161	6.5
117.34927	2.4
122.02695	2.4
132.10178	8.8
146.11743	16.5
262.27078	2.7
266.28528	2.8
284.29471	15.1
328.32025	43.0
390.35693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01425	5.8
57.07085	15.1
71.08623	11.4
71.89575	7.5
72.94695	7.3
74.63146	7.0
91.70995	8.9
94.64310	9.0
149.02336	100.0
231.41197	9.9
243.56427	10.4
281.70480	8.9
290.90277	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	391.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11156	2.4
57.07064	3.9
62.21844	2.8
70.06578	6.2
71.08614	5.4
72.08129	3.4
84.04521	2.8
84.08112	5.4
86.06092	4.2
86.09700	4.6
101.94576	3.0
107.04954	36.2
115.99246	3.3
124.21815	3.2
130.05019	6.9
145.12991	3.9
149.02307	42.1
167.03366	4.0
173.81554	3.0
179.05421	3.7
204.06314	25.3
206.04211	19.6
221.06470	4.3
246.64554	3.7
287.03711	5.7
355.18768	4.2
373.13916	7.8
391.14755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50788	3.6
57.07056	7.4
61.01133	8.4
70.06575	33.2
71.08615	10.8
72.08154	6.1
72.30026	4.3
84.04486	13.2
84.08115	6.3
86.09686	8.5
106.88277	4.4
109.57520	4.0
118.06866	27.5
121.02812	4.6
132.95619	5.1
149.02319	67.3
170.72676	5.4
207.09230	14.1
218.03122	4.7
218.17726	5.2
221.10617	9.1
222.04205	5.7
228.13507	5.4
236.09406	14.2
249.10114	7.6
264.08972	18.8
295.10910	15.4
323.10193	100.0
341.11383	35.5
373.13919	36.3
391.09912	6.3
391.14996	80.0
391.19971	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	391.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	8.3
66.14664	0.9
84.94958	1.1
92.04992	4.7
94.06544	1.3
106.06551	2.0
108.08129	2.9
116.04985	3.5
119.27043	1.2
120.04451	8.7
121.72141	1.0
122.05996	4.9
134.05995	7.2
136.07532	6.5
144.04453	7.5
146.06020	1.9
148.03920	100.0
149.02295	2.4
150.05475	1.5
162.05499	4.3
164.07033	5.1
164.63992	1.0
165.06590	1.3
166.04987	36.9
168.05252	0.9
172.03920	25.8
189.06645	2.3
190.04959	8.0
202.96310	1.1
204.06537	48.4
225.10078	1.1
269.09207	1.4
271.10678	6.6
299.10229	49.8
341.11270	14.1
355.12863	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	391.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83163	1.5
59.42566	1.5
70.06588	1.9
85.26215	1.8
91.05489	3.9
100.07652	5.8
105.07059	5.0
115.05475	3.2
119.04977	2.3
123.04427	2.0
131.04944	3.4
133.06529	5.6
136.13373	1.8
137.05966	15.6
138.06294	3.8
143.04973	8.0
149.02406	5.0
149.06009	3.0
151.07550	16.4
154.08635	1.7
160.07677	2.4
161.05948	14.9
164.07115	5.3
178.08644	23.9
178.94066	1.8
179.07010	11.4
193.89381	2.0
196.06494	30.5
196.09689	100.0
197.10146	2.9
251.24474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39051	5.5
56.58114	5.2
56.96561	48.7
57.07055	12.8
58.14154	4.7
58.79367	5.9
62.13896	5.7
65.75071	5.8
70.06571	31.0
71.08616	18.7
84.04473	12.7
84.08119	15.5
86.09683	7.8
88.07620	31.1
89.69971	6.2
96.10072	6.6
98.83389	7.0
109.06495	36.5
116.07059	7.6
126.33936	6.2
149.02327	89.0
196.50748	7.1
197.01239	30.8
202.01814	12.3
220.02899	23.7
225.08052	8.5
239.09586	16.0
243.04388	32.3
243.09074	13.3
266.10550	15.0
267.09241	9.2
280.12192	10.3
287.05975	10.6
327.14816	10.9
328.08536	9.4
345.15594	12.8
353.21500	8.9
373.15335	31.3
391.16498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11845	2.5
53.82238	2.5
55.21017	2.4
57.07058	7.7
59.24580	2.5
61.01142	29.9
70.06580	100.0
71.08621	2.9
72.08147	10.4
81.20264	3.6
83.06109	6.7
84.04505	12.1
84.08137	3.6
86.09708	6.4
112.08717	3.2
116.26559	3.3
118.06870	74.4
118.08649	4.5
149.02335	42.8
162.11752	3.7
176.33521	3.3
183.11354	8.5
196.26289	3.4
228.13469	12.5
229.11792	7.6
246.14601	9.4
248.36147	3.7
265.50333	3.6
274.12155	13.0
335.82623	4.1
391.19769	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	391.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	6.6
57.07072	8.5
69.97952	4.7
71.08630	4.9
87.88770	4.4
93.07088	5.6
95.63329	5.0
124.83372	5.3
149.02318	49.9
240.81569	5.7
259.04739	6.0
277.79626	5.7
316.92667	5.3
389.88654	5.9
391.20898	100.0
391.25253	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72964	3.7
56.82704	4.4
57.07066	13.5
67.05444	7.1
71.08606	7.6
79.05528	7.6
81.07053	7.5
81.43825	4.6
91.05470	9.1
93.07024	9.9
103.25646	5.6
115.05346	6.1
117.06967	5.2
124.13014	5.7
131.08586	7.2
135.67867	6.7
148.48097	6.2
149.02333	46.8
268.29205	6.2
383.83289	6.7
391.20694	7.6
391.24628	100.0
391.29294	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	391.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97570	5.2
55.01869	9.4
55.05485	5.1
56.96582	6.9
57.07071	7.6
67.05505	25.3
67.25468	5.4
71.08635	6.3
79.05470	30.4
80.92845	6.2
81.07059	29.1
88.47055	6.6
91.05459	30.9
93.07059	29.4
94.18622	5.7
95.04952	9.3
95.08602	18.2
97.06473	8.0
97.79846	5.7
105.07021	32.8
105.44611	7.6
107.04984	7.3
107.08640	19.6
109.07214	6.8
115.53864	6.5
117.07040	18.9
119.08581	10.5
121.10217	15.2
123.08038	10.3
129.07028	12.9
131.08588	18.3
137.86494	5.9
141.07005	13.5
143.08536	11.6
145.10136	11.8
149.02341	47.3
149.09567	7.0
155.08586	9.4
157.10162	8.0
159.08086	7.1
159.11688	10.0
167.03343	9.7
169.10144	9.2
171.11656	16.4
175.11240	9.4
184.32942	7.2
189.12823	7.3
197.13380	8.9
215.14465	10.2
250.88660	7.0
299.20154	7.9
324.42010	7.1
373.23932	23.4
377.25253	7.5
391.19983	15.2
391.24612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73093	6.8
55.01870	16.5
55.05517	21.2
57.03438	11.0
67.05512	29.7
67.14283	6.5
69.07069	9.1
71.05000	7.2
71.08646	15.5
79.05504	34.5
81.07043	48.3
83.08660	11.6
87.37703	7.5
91.05455	41.0
91.71564	10.3
93.07052	24.0
95.04976	9.9
95.08611	13.4
105.07065	31.8
117.07046	20.5
119.08592	21.3
120.48994	8.8
121.06532	10.7
129.07050	27.7
131.08591	20.1
141.07086	13.3
143.08621	13.1
145.10139	16.7
149.02325	100.0
155.08528	15.8
161.33194	8.0
161.79715	9.2
169.10143	15.2
171.11664	10.0
222.55052	9.7
227.32439	9.4
391.24731	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	391.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73093	6.8
55.01870	16.5
55.05517	21.2
57.03438	11.0
67.05512	29.7
67.14283	6.5
69.07069	9.1
71.05000	7.2
71.08646	15.5
79.05504	34.5
81.07043	48.3
83.08660	11.6
87.37703	7.5
91.05455	41.0
91.71564	10.3
93.07052	24.0
95.04976	9.9
95.08611	13.4
105.07065	31.8
117.07046	20.5
119.08592	21.3
120.48994	8.8
121.06532	10.7
129.07050	27.7
131.08591	20.1
141.07086	13.3
143.08621	13.1
145.10139	16.7
149.02325	100.0
155.08528	15.8
161.33194	8.0
161.79715	9.2
169.10143	15.2
171.11664	10.0
222.55052	9.7
227.32439	9.4
391.24731	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	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81107	8.5
52.44369	8.2
57.03432	22.3
67.05502	20.1
71.04987	9.4
71.08623	20.5
73.69096	8.9
81.07077	15.6
82.03909	11.1
91.05453	20.8
105.07023	18.2
109.44626	10.1
117.07050	20.1
119.08600	15.6
129.07022	27.7
131.08582	18.4
133.10139	12.3
143.08582	29.1
145.10147	13.8
149.02357	100.0
155.08478	13.3
167.08687	12.0
169.10101	10.2
183.11679	16.2
185.13219	11.3
199.14821	12.3
209.13269	19.7
215.14188	14.2
247.49139	10.2
281.18979	23.0
299.20203	18.8
373.23566	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	391.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	8.6
57.03422	21.0
57.07069	18.5
57.21672	6.9
71.08600	15.1
74.70951	8.2
76.06461	8.1
79.05476	9.3
91.05475	14.6
99.08099	11.3
105.07027	13.3
117.07006	15.3
129.07054	10.4
141.07001	11.2
149.02313	100.0
150.26357	8.3
155.08516	15.1
183.11691	11.8
216.94479	9.0
222.90515	9.6
227.14233	10.8
242.21568	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03992	11.1
55.05488	22.3
57.07072	19.4
61.84368	13.6
67.05474	21.6
68.27747	11.5
68.62138	11.7
69.07055	17.1
71.08601	13.4
79.05488	31.4
81.07049	58.1
81.69666	13.2
91.05461	55.0
93.07030	56.8
95.04957	65.1
95.08591	41.5
105.07024	89.9
105.67867	14.8
107.08570	43.3
109.10214	16.0
117.07008	21.2
118.84133	12.4
119.08578	94.6
121.10126	23.6
127.99306	16.7
128.00305	13.0
128.06253	17.3
129.07004	31.0
131.08594	29.6
133.10132	36.4
142.07822	30.5
143.08553	32.3
145.10136	59.5
147.11768	26.4
149.02322	100.0
153.74203	15.0
156.09364	16.9
157.10152	28.7
167.08578	16.2
169.10141	42.6
171.11682	35.1
179.08572	17.6
181.10176	19.9
183.11681	30.7
190.91425	15.1
193.10172	20.9
197.13242	21.5
198.90765	13.6
207.11713	33.0
208.12485	15.8
235.14786	20.8
266.08752	16.1
326.86810	15.6
391.25647	72.1
402.52045	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72972	11.6
52.09114	11.2
52.29242	10.6
57.07055	31.3
70.47964	13.9
81.07034	23.2
91.05413	18.1
93.07028	20.2
94.91360	13.8
95.04941	27.7
105.07029	32.2
110.28811	14.4
116.43336	12.9
119.08630	15.2
121.06441	16.1
141.93755	13.3
149.02354	100.0
157.10077	24.0
194.79616	14.1
222.95660	17.4
267.46356	14.4
391.24918	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	391.2954
Annotation	Holadysenterine
Peak:m/z	Relative Intensity
55.05494	15.0
57.07069	12.2
61.64872	6.9
67.05499	13.3
67.38065	8.2
69.07068	12.2
71.08641	13.8
78.08980	8.5
81.07046	20.1
83.08588	9.6
91.05470	11.9
93.07036	15.8
95.08627	12.2
107.08601	18.6
109.06533	12.5
121.06521	9.8
149.02348	100.0
177.12746	12.8
190.05022	9.6
244.33165	8.6
247.46860	9.7
264.23166	45.3
310.55307	9.1
373.28458	46.1
391.29538	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54207	3.1
57.07071	55.7
69.07062	5.5
71.08616	48.0
74.85217	3.8
83.08624	4.4
85.10172	15.5
89.06022	100.0
89.06538	8.1
97.10170	5.7
107.07018	6.5
130.08621	28.3
133.08618	39.3
149.02345	7.2
151.09624	4.9
177.11162	11.8
195.12222	23.6
196.06367	4.2
272.05243	4.0
356.45041	4.6
391.34091	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	392.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.5
91.05469	20.1
103.03430	0.7
118.34628	0.7
119.04931	10.4
122.21334	0.6
137.05974	100.0
138.06281	1.4
146.33112	0.7
154.08623	30.0
160.07590	0.7
165.04544	0.6
166.48848	0.7
244.55002	0.7
323.66776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26436	1.9
51.29511	1.9
54.61141	2.2
55.01841	2.3
55.05501	2.2
56.05027	5.5
64.18925	2.3
67.05490	7.3
69.03417	2.9
79.05488	8.7
79.16747	2.2
81.07050	9.0
84.04495	100.0
85.02924	1.9
91.05468	18.5
91.72683	2.1
93.07038	11.1
94.97380	2.2
95.04947	2.8
95.08599	5.5
102.05528	47.7
105.07036	20.2
106.32079	2.3
107.04968	2.8
107.08611	5.4
110.07164	6.8
117.07030	5.6
119.08578	16.8
121.06486	5.3
121.10130	3.9
128.06190	4.0
129.06982	8.4
129.10298	3.1
130.05002	31.1
130.13052	3.1
131.08578	15.1
133.06528	2.5
133.10147	5.9
142.07755	3.8
143.08580	13.6
145.10138	7.4
147.08055	10.7
148.06029	43.8
149.02324	5.8
149.09654	6.6
157.10167	11.4
159.08076	3.2
159.11674	4.8
161.09612	12.6
163.11259	3.8
171.07916	3.0
171.11688	3.6
173.09625	3.0
175.11237	9.4
183.11682	3.4
185.13268	9.7
189.09174	3.1
189.12756	5.1
199.14824	8.2
203.14345	8.7
217.15895	10.7
227.14395	8.5
245.15327	33.3
263.16479	8.3
297.93350	3.1
328.19086	7.1
346.20001	12.7
374.19647	23.1
392.20557	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	392.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64195	6.5
63.10161	6.2
66.82297	7.9
84.04487	100.0
89.43108	8.8
91.05481	55.5
93.07021	12.6
102.05542	53.7
105.07030	50.4
109.14864	8.0
115.90352	7.8
117.07016	11.7
118.81208	7.4
119.08571	84.7
121.06505	9.0
128.06238	16.1
129.07004	18.2
130.04980	38.9
130.84987	9.0
131.08606	12.4
143.08543	28.7
147.08073	25.3
148.06015	48.8
151.35413	9.3
157.10136	9.8
161.09592	51.1
171.07976	14.0
182.87959	10.2
185.13370	15.8
189.09181	15.2
195.92850	9.7
203.14334	36.0
216.09550	9.7
217.15840	11.7
234.47107	8.5
245.15347	49.5
255.57425	10.8
263.16248	14.0
290.10052	9.6
374.19501	19.2
392.20673	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82978	5.0
56.05029	6.6
67.05524	5.6
69.03438	6.8
81.07029	8.1
81.80698	6.2
84.04499	100.0
88.76634	6.7
91.05486	16.4
93.07044	9.1
102.05523	48.0
105.07034	25.1
105.61304	8.2
108.37320	6.2
117.07015	6.8
119.08609	14.1
129.06987	11.4
129.64635	5.8
130.05000	35.1
131.08580	12.5
143.08522	14.5
147.08066	16.1
148.06010	43.1
152.25574	6.6
157.10223	9.4
159.08122	6.8
161.09650	15.9
171.11780	8.5
185.13353	11.2
203.14258	7.7
214.15962	7.1
217.15965	18.3
227.14383	9.4
245.15300	33.0
263.16568	11.0
328.18811	10.3
338.83145	8.4
346.20004	18.3
352.93192	8.4
374.19611	12.2
392.20743	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	392.2066
Annotation	roquefortine D
Peak:m/z	Relative Intensity
50.28640	1.6
51.17363	1.6
55.05495	3.1
55.99711	1.5
56.05024	6.6
57.07046	1.6
59.71933	1.7
61.25925	1.6
67.05484	9.6
69.03397	3.3
69.07056	2.5
79.05476	8.4
81.07035	8.1
83.04983	3.6
84.04493	100.0
86.09689	5.4
91.05473	19.9
93.07046	9.9
94.29552	1.9
95.04940	3.5
95.08595	4.4
102.05532	47.4
105.07018	19.9
107.04949	4.7
107.08579	4.9
108.12662	2.5
109.06491	3.1
114.66023	2.1
117.07021	6.5
119.08574	20.6
120.08073	11.4
121.06483	4.5
121.10142	4.1
122.38281	2.1
128.06203	3.4
129.06982	12.4
130.05003	36.8
131.08553	18.9
133.06497	2.8
133.10110	7.4
133.47949	2.0
135.07980	2.7
141.07028	2.5
142.07776	3.9
143.08559	16.3
145.10136	7.3
147.08012	10.8
147.11639	3.2
148.06032	44.4
149.02330	6.4
149.09624	6.0
155.08502	4.0
157.10172	11.0
159.08038	3.4
159.11705	4.1
161.09639	15.8
163.11220	2.9
163.71603	2.3
167.08499	2.5
169.10219	2.6
171.08038	2.4
171.11707	4.9
173.09587	3.0
175.11162	5.0
175.14790	4.2
181.10094	2.7
183.11743	3.6
185.13266	9.7
187.11198	2.8
189.09109	2.6
189.12744	6.4
199.14850	10.1
203.14349	5.1
209.13254	2.3
217.15814	8.6
227.14275	7.0
245.15355	33.4
263.16412	9.9
311.16675	2.5
328.19052	9.8
333.89664	2.3
346.20096	15.3
361.14212	2.6
374.19656	24.7
380.87381	2.4
392.20642	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	392.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
54.59037	9.5
56.05027	11.5
56.96545	10.8
57.07064	11.0
59.68990	8.9
67.05511	16.5
68.58098	9.0
70.06571	10.1
79.05484	15.6
81.03403	47.4
84.04500	100.0
91.05461	30.0
93.07014	19.5
102.05520	40.6
105.07022	25.3
119.08588	33.9
130.04987	28.9
136.49287	12.7
148.05930	12.7
149.02332	52.9
161.09631	24.9
190.09480	11.9
203.83824	13.4
245.15436	42.1
279.34085	12.7
330.86285	11.4
333.96045	11.3
346.20105	21.2
346.85880	15.2
367.08624	12.4
374.19507	12.4
392.20721	32.1
410.22900	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	392.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22282	2.4
57.07070	100.0
58.74631	2.6
63.89156	2.2
72.97554	2.6
81.23997	3.1
102.09180	4.2
149.02327	5.3
150.02655	4.0
154.72340	3.1
207.11357	14.2
215.01082	3.4
224.13873	9.8
308.19720	37.9
374.24319	26.6
392.25369	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32618	85.9
67.36308	85.3
75.65420	76.3
128.47723	90.3
138.38362	100.0
239.32468	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87026	6.9
69.03410	7.1
101.02527	8.5
104.57123	7.7
107.81171	8.2
112.07586	100.0
130.08652	87.5
177.37315	7.9
193.84360	8.6
217.53442	8.5
417.32404	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62796	1.4
53.42946	1.5
57.03433	12.3
61.02909	6.4
69.03415	21.3
70.06584	2.6
71.01340	4.2
71.04964	6.1
72.08158	2.5
73.02888	2.8
75.04465	5.1
81.03403	7.3
84.08114	2.0
84.68668	1.6
86.09679	2.8
99.04452	8.1
102.47918	1.9
103.32717	1.9
110.07166	2.0
113.02555	1.9
120.08075	2.5
146.06049	2.3
147.98546	2.0
161.07120	4.9
179.98543	2.5
188.08194	31.5
214.06091	5.9
232.07236	9.2
242.92847	1.9
259.05508	2.9
259.08246	60.8
268.77484	2.2
320.05292	2.2
375.13074	3.4
393.14017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32583	1.5
53.71643	1.6
58.97882	1.6
61.00211	1.5
68.05041	2.6
69.95642	1.6
70.06573	6.6
72.08145	3.0
77.85589	2.0
81.67449	1.9
84.08140	3.0
86.09693	5.7
120.08089	4.6
147.34979	2.2
184.99333	2.0
199.14880	1.8
204.08797	9.0
216.08784	100.0
218.10341	6.1
225.06459	9.1
226.07117	3.9
230.10283	12.4
240.08783	48.6
241.09361	2.8
246.09885	5.3
252.45116	2.0
258.09772	3.0
268.08212	7.1
272.11612	2.5
300.10873	51.2
314.45364	2.1
343.11646	4.1
361.12558	3.8
375.13721	3.3
393.15149	33.3
393.20889	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34587	1.7
68.05025	2.0
70.06602	7.5
72.08163	3.1
84.04513	3.4
84.08180	2.4
86.09720	2.4
116.45220	2.1
129.69830	2.0
149.04596	2.2
149.90775	2.7
157.45537	2.2
192.30029	2.6
195.28773	2.4
202.07307	2.7
204.07024	2.1
204.08897	8.3
216.08786	100.0
217.09724	2.1
218.10497	6.9
221.90448	2.1
225.06561	11.3
226.07228	3.2
230.10336	9.9
237.41714	2.1
240.08762	50.2
241.09639	4.3
246.09853	5.1
268.08499	6.4
272.11450	4.9
300.10886	45.2
300.14267	2.5
304.23093	2.6
343.11414	3.5
344.03415	2.4
361.12671	5.3
375.14536	3.3
376.66388	2.2
393.15033	29.1
393.19055	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2383
Annotation	Cyrmenin B2
Peak:m/z	Relative Intensity
55.01891	2.7
56.05030	5.9
57.66797	2.2
62.07631	2.1
66.85368	2.0
67.05506	5.3
69.07069	3.2
72.08128	2.4
79.05512	7.6
81.07063	3.1
83.06099	21.9
84.04498	100.0
84.43848	2.7
91.05502	8.4
91.71074	3.4
91.71552	4.8
93.07066	9.6
95.08633	2.7
101.07162	12.2
102.05531	23.7
105.07040	5.8
107.08621	7.4
108.34114	2.4
117.07040	3.7
119.08672	4.7
121.10213	6.3
129.06570	27.0
129.88954	2.8
130.05005	59.8
130.05894	4.2
131.08543	6.8
143.08669	3.3
145.10156	11.7
147.07628	21.0
149.09680	10.9
163.11198	7.0
187.14879	3.9
212.37210	3.2
218.59068	2.8
219.17572	7.0
225.00690	4.0
229.15962	5.6
247.16975	15.0
248.02312	3.5
258.60501	3.2
264.19650	12.3
268.27203	3.2
271.03900	3.9
292.92325	3.4
326.93503	2.9
330.20670	4.1
348.21851	11.4
375.22705	5.7
376.21130	22.0
393.23730	19.8
399.04678	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	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71912	4.8
55.05497	11.7
56.96549	8.7
57.07067	40.3
67.05495	23.6
69.07046	18.0
70.63498	4.7
71.08630	27.1
73.28931	4.1
81.07061	32.0
83.08600	14.6
85.10169	20.2
93.07033	7.4
95.08608	26.4
97.10174	8.2
98.98460	67.5
109.10136	15.9
111.11660	5.9
130.68469	4.3
131.08615	6.1
155.01038	100.0
220.12096	5.9
239.23613	8.2
385.22592	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43901	18.2
55.05506	19.2
57.07083	20.1
59.07700	16.2
62.12619	19.4
67.05491	31.8
81.07056	78.9
91.05462	78.8
93.07044	91.1
95.04975	69.8
95.08594	67.0
97.06552	25.9
105.07014	99.2
107.08594	42.7
108.92070	20.9
109.10167	51.9
119.07812	29.4
119.08523	100.0
121.06494	26.8
131.08563	40.3
133.10144	43.1
143.08612	32.5
145.10136	64.2
157.10161	38.5
159.11694	33.9
169.10153	29.8
171.11697	33.7
327.95703	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.4
53.92067	6.3
55.05512	33.0
57.07072	21.8
61.43220	5.8
65.03922	8.6
67.05493	51.3
69.07073	31.3
77.59509	6.9
79.05506	29.4
81.07044	75.7
81.07399	6.7
83.04979	7.2
83.08626	11.1
91.05462	51.8
93.07040	85.8
95.04958	63.9
95.08592	56.5
98.98483	14.2
101.27151	7.6
105.07034	100.0
107.08604	47.7
109.06512	13.9
109.10183	31.1
110.62042	7.2
117.07043	23.6
118.06590	8.6
119.08573	77.0
119.63716	8.3
121.06590	13.3
121.10133	41.1
123.11778	10.4
128.06279	13.2
129.07030	18.2
130.07794	9.3
131.08626	29.1
131.25778	7.8
133.10197	32.2
135.08197	8.3
135.11786	12.1
142.07831	26.1
142.60704	7.8
143.08611	29.2
145.10107	66.0
147.11726	27.8
155.01088	26.6
155.08574	11.9
157.10100	45.4
159.11763	29.8
161.09697	22.0
169.10120	9.5
171.11731	34.3
173.09567	11.3
173.13356	26.9
174.39236	8.9
175.14861	14.4
182.10924	9.0
182.35428	8.9
183.11766	18.6
185.13284	10.5
197.13271	13.1
209.27357	9.3
225.16283	11.1
231.80107	9.7
239.43190	9.4
268.31192	9.3
294.20770	9.2
294.92075	9.2
307.10413	9.1
326.08719	10.6
393.04221	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	393.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.9
57.07044	2.1
57.35089	1.6
58.98897	2.1
63.05349	1.7
67.05492	25.9
68.63256	1.7
69.07066	21.6
71.64326	1.9
79.05482	5.4
81.07046	32.0
82.06545	4.9
83.08611	12.0
84.48820	1.9
89.86107	2.0
91.05459	6.1
93.07011	8.3
95.08604	30.5
97.06590	2.4
97.10120	3.2
105.07029	3.5
107.08589	7.2
109.06502	5.6
109.10128	11.1
110.05984	2.9
119.08556	7.6
121.10123	7.6
123.11694	4.8
126.13575	2.3
133.10126	3.9
135.11682	6.8
137.13272	2.8
147.11739	4.4
149.13179	2.8
161.13332	2.7
167.10825	2.4
179.14296	3.3
182.15608	2.4
192.09927	2.3
196.16977	3.3
231.20992	5.9
238.25337	3.4
266.24759	57.1
283.12253	2.5
283.27390	4.4
285.53754	2.7
375.30032	43.9
393.31091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30194	1.6
54.16130	1.2
55.05508	13.6
57.07066	3.6
64.56496	1.3
67.05492	24.7
69.07059	20.3
70.35120	1.3
74.55873	1.4
79.05470	5.8
79.38594	1.3
79.55209	1.6
80.13536	2.1
81.07044	35.3
82.06564	3.7
83.08624	8.3
83.79337	1.4
84.08149	1.3
85.10159	1.8
88.43896	1.4
91.05470	3.0
93.07021	7.5
95.08593	24.5
97.10149	2.8
105.07012	5.2
107.08598	7.8
109.06529	5.6
109.10142	13.2
110.06051	2.6
119.08581	4.3
121.10142	3.9
123.11746	3.0
133.10085	2.8
135.11678	2.5
147.11697	5.2
149.13226	6.1
149.45419	1.7
150.31761	1.7
151.99802	1.7
161.13205	4.4
165.12753	2.2
170.72661	1.6
179.14316	2.9
231.21011	5.3
249.22110	3.6
266.24756	55.6
283.27475	2.1
347.13806	1.7
375.30026	32.3
379.57513	2.2
393.31076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49440	3.3
56.02096	3.5
60.04788	4.0
64.00162	3.2
153.99048	4.4
168.13783	5.0
173.45003	4.7
252.86766	4.9
321.88138	4.8
329.05032	78.0
334.05612	11.2
347.06250	23.5
352.06622	100.0
353.06088	5.3
371.05920	14.1
375.08197	96.8
376.08560	6.9
394.07739	89.1
412.08563	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	394.1649
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
50.13859	0.7
50.37798	0.8
52.40238	0.7
53.68235	0.8
65.03931	3.9
73.63716	1.0
79.05495	1.3
81.07043	1.3
85.71680	0.9
91.05473	59.1
93.07041	2.0
95.04942	1.0
100.59800	0.9
101.09857	0.9
107.04942	7.5
109.06521	2.2
111.04417	4.6
118.06561	3.4
119.04940	24.6
121.06503	9.8
123.04423	31.1
130.06479	1.1
132.08081	1.8
134.06027	1.1
135.40190	1.0
137.05972	100.0
139.03897	5.7
144.08081	4.0
146.05992	6.3
151.10275	0.9
160.07574	3.2
203.26671	0.9
216.86642	0.9
222.09189	1.5
226.12288	2.4
234.09196	3.0
238.12216	1.1
240.10144	4.7
248.10667	1.1
250.08546	1.4
251.09438	5.2
252.10271	1.2
283.44882	1.1
352.35724	1.1
358.14420	11.7
365.07974	1.0
376.15411	25.2
381.94763	0.9
394.16394	4.2
406.92538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2223
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
51.22398	0.6
55.01862	1.2
55.05498	1.9
56.05027	7.3
57.03405	0.6
59.27819	0.6
65.03955	1.0
66.90801	0.6
67.05488	8.5
69.07051	3.1
71.04984	1.9
78.97007	0.6
79.05482	8.3
80.76929	0.7
81.03419	1.0
81.07048	8.1
83.04976	2.3
84.04494	100.0
85.02909	2.4
85.06540	0.9
86.49228	0.7
91.05472	12.0
91.71007	1.0
91.71521	1.4
93.07037	14.3
95.04958	3.3
95.08593	2.4
97.06532	1.9
98.05999	0.9
102.05534	48.0
105.07021	11.2
107.04924	1.1
107.08575	8.7
109.06523	2.1
109.10157	1.8
112.52806	0.8
117.06996	6.0
119.08574	9.2
121.06506	4.2
121.10133	5.2
123.08040	2.9
128.06277	1.1
129.07005	2.9
130.04996	38.4
130.41020	0.7
131.08560	15.8
133.06506	1.1
133.10120	5.1
135.08064	2.6
135.11687	2.1
141.06946	1.0
143.08569	2.6
145.06534	1.0
145.10115	15.6
147.08049	3.1
148.06036	37.5
149.06087	1.1
149.09604	11.0
151.11163	1.6
154.61745	0.8
155.08528	1.8
157.10188	1.1
159.11667	4.4
161.09618	1.7
161.13261	1.3
163.11183	7.8
163.77777	0.8
167.69524	0.8
169.10103	1.4
171.07637	1.1
173.09641	2.7
175.11166	2.4
177.12822	1.0
179.10683	2.5
183.11642	1.1
186.88094	0.9
187.11185	2.3
187.14835	4.2
191.10654	3.6
201.16423	2.4
211.14827	2.3
219.17429	8.2
229.15849	7.8
247.16911	20.4
248.17274	0.9
265.17966	7.2
288.19559	1.0
330.20520	3.9
348.21649	13.8
349.22028	0.8
376.21173	16.3
394.22244	24.4
395.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68790	6.8
51.24178	5.8
53.76389	6.2
70.06561	25.6
70.08123	7.4
81.13734	9.0
83.10173	8.0
88.07611	17.7
90.11259	8.4
102.01031	7.4
102.09135	11.2
129.06990	9.0
132.51479	9.2
137.19626	7.8
147.53735	9.8
149.02332	100.0
168.13022	9.6
193.04945	84.5
228.23184	55.4
316.74509	9.8
394.25876	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	4.4
69.85530	2.8
73.18094	3.0
74.14243	3.4
81.07046	3.8
89.06027	16.3
91.05474	100.0
100.03053	3.7
109.10162	4.6
113.52261	3.2
133.08572	4.5
134.09645	4.2
170.08557	3.2
177.16368	9.8
195.12289	14.8
205.29968	4.1
262.79553	4.0
277.35599	4.3
394.30960	66.7
394.35529	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	394.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.0
57.07079	1.0
58.43098	1.1
69.03416	11.2
69.07048	3.7
73.57375	1.1
74.36681	1.0
84.08134	6.2
89.06010	6.2
107.31655	1.3
112.07594	100.0
130.08633	92.5
133.08626	2.4
165.85405	1.5
183.41364	1.3
195.12279	6.7
199.81169	1.2
213.99542	1.3
220.46759	1.4
279.82663	1.2
394.34738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04517	2.6
54.20048	2.9
55.05515	3.7
56.39599	2.8
56.64177	3.0
57.03162	4.8
57.03429	84.1
57.03710	4.3
57.07061	4.9
59.16939	3.3
67.05492	14.1
79.05489	18.2
81.07046	14.4
87.70103	3.4
89.06013	16.4
91.05478	18.3
92.16752	3.3
93.07036	24.1
95.08604	10.4
103.39119	3.5
105.07037	3.5
107.08595	12.9
109.09465	3.0
109.10176	12.2
119.08626	4.4
120.67778	3.3
121.10159	10.4
123.11708	5.4
125.75971	3.5
127.11184	100.0
130.08638	5.0
131.08614	7.9
133.08635	10.0
133.10114	6.5
135.11693	12.6
135.48270	3.7
136.79533	4.2
147.11607	3.7
149.13272	8.8
172.30763	3.6
179.03342	4.5
184.17230	4.2
195.12282	21.7
215.17957	14.5
233.18999	10.1
240.84792	3.6
375.92584	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	395.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96338	24.0
56.64582	22.0
56.96553	38.5
57.07051	34.6
64.76887	29.3
74.26611	25.4
76.04723	26.5
99.71872	23.0
172.49278	28.1
179.53067	32.9
236.48988	27.1
284.86942	35.9
395.27591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65299	91.0
83.03554	79.0
114.60802	94.0
117.18658	100.0
141.88150	94.4
238.92987	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65458	1.5
62.98248	100.0
69.07087	1.9
77.96943	2.5
82.77557	1.6
95.08559	2.0
111.08189	2.2
112.04028	1.6
136.01369	1.9
152.19559	1.9
245.40822	2.1
270.55286	2.0
304.79688	2.6
351.22678	13.7
395.21603	27.0
395.26581	3.3
398.35306	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.4
55.29804	10.3
55.38982	11.1
57.07072	8.8
62.49264	10.4
64.45823	11.4
67.05499	100.0
69.03423	29.8
69.07079	18.4
71.71764	10.9
79.05483	63.4
81.03399	37.9
81.07042	99.0
82.75497	11.5
83.08636	17.1
85.02900	21.6
91.05492	53.8
93.07038	74.6
95.04964	22.0
95.08577	68.9
97.02890	15.9
98.29096	13.0
105.07034	55.1
107.04988	13.2
107.08598	37.6
111.08098	13.7
117.07050	35.4
119.08577	29.6
121.10156	29.2
123.81021	14.8
129.06985	28.8
131.08572	31.8
133.10129	33.7
135.11671	20.0
145.10150	30.7
147.11678	24.3
159.11736	34.9
159.83984	12.4
169.10063	16.4
173.13295	18.9
216.52719	12.6
275.20056	17.9
308.31213	15.5
359.22153	23.9
398.46780	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	395.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35635	4.7
65.07030	5.7
81.07013	6.6
87.12339	7.5
91.71114	6.7
95.08607	11.0
107.36794	6.3
137.27861	6.6
181.05779	8.6
185.31563	6.8
208.06448	6.6
300.34698	7.1
395.27728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2791
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
50.62493	5.5
55.05494	8.5
57.03408	6.6
67.05505	18.1
67.85783	6.8
69.03413	7.0
69.07055	11.3
73.34166	6.5
79.05492	12.6
81.07037	36.5
90.25323	6.5
91.05470	10.1
91.85692	7.0
93.07005	12.2
95.08600	12.2
105.07054	9.0
107.08593	10.3
109.06540	18.4
109.10132	12.5
117.81722	8.3
121.10134	8.0
123.08074	64.9
130.13821	7.6
133.10182	8.7
135.05289	8.4
135.08044	20.9
149.09555	9.1
159.11641	8.1
179.14290	14.4
224.35611	7.9
231.55347	9.7
303.23175	27.7
339.21887	8.6
395.27853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2793
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
50.53835	5.1
55.05502	15.5
57.07073	6.8
62.98265	8.0
65.04523	6.1
67.05486	17.2
69.07069	10.7
71.08641	10.6
79.05534	7.2
81.07078	16.2
85.30216	7.6
93.07063	12.8
95.08636	19.3
109.06551	16.6
117.94802	6.3
119.08635	12.1
123.08067	51.9
126.29369	6.9
135.08032	16.2
177.12843	8.7
179.14290	65.8
190.56461	7.0
193.15889	7.1
205.15948	9.7
222.40834	7.0
223.03865	6.6
226.42183	7.6
283.20956	10.7
296.96951	8.0
303.23221	53.2
395.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	1.8
56.05007	2.0
57.48360	1.5
61.41028	1.8
69.04539	16.7
81.04527	46.2
82.05308	7.9
83.06094	27.4
85.27930	2.1
91.05455	3.3
91.70974	3.1
91.71479	10.3
93.54173	2.5
95.06060	11.6
106.01713	2.3
107.04964	7.0
109.03990	11.6
121.06516	5.2
130.06578	3.5
133.37108	2.2
193.07632	4.3
199.11121	3.0
224.08200	5.2
224.10503	3.7
225.08974	23.9
226.09731	4.4
236.10767	4.8
238.08994	2.6
240.22569	2.3
246.08951	3.2
250.08377	4.2
277.13605	2.7
278.82114	2.2
287.11743	3.1
304.14377	26.1
306.16016	13.3
314.12756	8.3
332.13892	100.0
350.14984	47.3
352.16592	8.6
378.14447	16.3
390.02762	3.2
396.15521	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58295	3.0
53.00993	2.5
55.05494	5.2
55.45966	2.6
70.02946	5.1
70.06579	9.6
71.08631	5.5
72.04496	10.1
72.08146	4.9
76.09869	2.9
81.07046	22.8
83.08607	4.5
84.08105	8.4
85.02921	4.7
86.09689	6.3
90.05546	96.9
98.02428	7.0
109.06519	17.3
110.67106	3.5
116.03464	14.3
123.26128	3.4
123.52614	3.4
127.07567	3.5
136.07568	7.5
138.09158	12.4
139.70758	3.6
190.05028	4.1
198.11316	20.9
212.33958	4.4
216.12265	20.2
234.13348	100.0
244.26294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44634	0.6
61.75485	0.7
79.29932	0.7
86.09675	1.2
125.32584	0.7
129.16913	0.9
132.10240	0.8
133.51761	0.7
135.04388	1.0
137.06003	0.9
159.22760	0.7
159.29037	0.8
162.09222	1.1
163.06261	1.6
178.08621	100.0
190.08627	3.1
193.99225	0.7
219.11223	5.0
224.84074	0.8
316.64252	0.8
396.69913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08069	2.0
69.07061	12.5
70.06569	4.1
72.08147	5.3
84.04490	7.9
84.08154	5.3
86.09697	100.0
91.05453	5.1
91.53880	2.6
91.71598	3.9
96.09160	2.5
109.61239	2.9
111.62924	2.7
119.04915	3.0
136.38576	2.8
137.05965	46.3
147.04379	6.3
151.07448	2.9
154.08646	14.4
159.89217	3.3
201.24724	2.7
202.15744	2.9
243.13437	4.8
267.16971	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	396.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28436	8.3
53.93917	9.8
56.05031	100.0
57.12559	7.9
61.01128	36.0
61.68760	9.1
61.81774	8.3
67.05495	19.4
69.07049	11.3
79.05465	11.1
89.94167	11.3
91.05479	21.4
102.05556	10.0
104.05309	79.7
105.07044	17.8
107.08626	16.1
119.08573	11.9
131.08568	22.1
133.03174	54.7
145.10085	16.0
149.09607	11.4
149.33566	12.1
150.05838	76.8
152.63443	10.5
163.11302	12.9
174.63092	12.0
179.10463	11.4
183.11932	10.5
187.14763	11.9
247.16855	16.6
276.84836	12.1
302.21210	42.5
319.29977	12.5
396.22092	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	396.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66526	3.5
67.05489	7.5
69.05801	13.7
69.07087	4.9
70.06237	6.5
70.06585	76.5
76.15794	3.4
77.67838	3.7
81.07049	9.8
83.07347	9.6
84.04498	6.7
84.08117	14.0
91.05475	4.2
91.24460	3.9
103.31296	5.1
105.06956	4.8
119.08662	4.4
130.05072	4.4
154.08667	9.3
221.46037	5.0
236.16463	9.6
254.17484	100.0
262.44467	5.2
266.80945	4.9
395.54465	6.1
396.27490	88.5
419.63806	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	396.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64713	2.5
55.05522	2.9
56.58782	3.1
64.81015	2.8
67.05514	6.1
68.05035	6.7
68.20747	3.2
69.05811	7.6
70.06586	71.1
70.06940	4.5
78.89371	3.2
81.07050	6.4
82.06577	5.9
83.04996	3.2
83.07375	9.9
84.04528	5.6
84.08138	10.4
89.08723	3.4
89.29626	3.4
91.05469	3.9
91.71063	4.5
108.89713	3.1
110.07142	4.1
124.30355	3.2
130.72878	3.7
154.08606	8.6
172.96106	4.2
236.16643	5.1
254.17488	96.7
316.65430	4.3
331.05084	10.6
354.06522	5.5
377.08301	7.2
396.07706	10.1
396.22293	5.7
396.27457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92152	5.2
57.63771	5.3
60.24168	4.6
61.19500	5.0
64.12562	5.1
69.49276	5.7
95.06091	6.0
110.07159	100.0
115.73234	6.4
137.15767	6.7
139.79955	5.6
156.07658	33.8
200.48859	6.1
252.60030	6.3
312.72397	6.6
378.27423	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	396.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56553	3.7
82.39397	4.3
91.05474	100.0
91.78493	4.8
93.07021	5.4
106.06554	12.1
108.08095	14.1
109.06474	5.9
143.32318	5.0
145.80673	4.4
165.12790	19.4
175.11354	4.6
212.47420	5.4
223.07018	5.1
247.41299	5.6
283.58719	6.7
356.16663	6.2
396.29111	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	396.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88464	5.4
53.78727	5.0
57.07068	35.5
63.01330	6.6
66.48337	4.8
67.13243	4.7
71.08623	31.4
81.07054	8.3
85.10196	31.5
86.13003	6.0
89.06022	100.0
130.08650	22.8
133.08630	54.7
177.11201	10.2
197.73082	6.5
239.14926	19.3
366.81989	8.1
379.30579	28.9
395.62289	8.7
396.34555	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.347
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	10.4
71.38712	2.8
77.86454	3.4
84.08171	5.8
91.62090	3.0
91.71587	4.3
112.07598	99.9
115.67342	3.1
130.08638	100.0
178.92207	3.2
181.10866	3.2
245.07599	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	397.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50132	17.6
56.96534	17.3
61.30141	16.1
69.52789	16.9
81.22244	18.3
93.31650	18.5
140.95793	21.3
164.72806	21.8
181.82487	23.0
195.62677	22.2
245.51013	22.6
284.81567	24.4
298.27960	24.3
397.08707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14478	0.8
61.05895	1.0
65.03925	1.7
70.06586	2.7
72.08154	1.0
76.02235	1.2
78.82664	1.0
84.04496	4.9
84.08125	2.0
86.09689	2.9
91.05474	15.9
119.04938	32.0
120.87863	1.1
122.02717	3.2
130.05006	1.4
135.92459	1.0
141.19170	1.1
142.03221	1.6
147.04401	100.0
148.04745	1.4
233.05983	1.3
251.06891	5.6
342.19647	1.2
405.18301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08800	0.4
61.50356	0.5
62.07478	0.5
65.03916	1.6
67.12416	0.5
70.06566	2.5
76.02203	1.0
84.04505	4.4
89.88031	0.5
91.05466	12.5
94.45820	0.6
97.70535	0.6
119.04929	28.8
122.02666	1.5
130.04996	1.2
147.04398	100.0
148.04776	1.2
167.05472	0.5
188.03754	1.9
218.88271	0.6
231.62154	0.6
233.05872	1.4
249.08452	0.6
251.06950	4.5
367.27698	0.7
397.10458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67620	8.3
62.98245	13.5
66.97711	11.0
81.07059	15.1
88.82116	10.2
92.05373	9.8
107.03017	10.1
109.85599	11.8
155.10997	12.3
165.85654	10.5
175.26350	11.7
193.85558	11.7
201.16449	11.1
210.31299	13.3
343.32941	14.3
365.20547	100.0
397.23224	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	397.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50651	4.1
54.96737	4.3
55.05505	46.8
57.03423	22.0
57.07074	9.1
58.07687	4.3
61.01466	4.2
61.02919	4.5
65.03930	5.7
66.22974	3.8
67.05499	80.9
69.07066	41.9
71.08585	4.5
72.32087	5.1
79.05480	17.9
81.07046	100.0
83.08628	30.9
91.05470	16.0
91.70962	7.7
93.07033	27.1
95.08596	74.8
97.06523	6.5
97.10171	17.3
105.07029	8.6
107.08591	17.7
109.10172	30.8
117.05496	44.8
119.08573	6.7
121.10156	17.2
123.08104	6.3
123.11744	14.1
123.94697	5.1
127.36071	4.9
133.10138	7.6
135.11670	8.2
137.13234	7.8
139.55681	4.7
149.13271	6.1
151.35915	5.7
163.14825	7.5
229.89684	6.0
245.22644	9.5
263.23581	24.3
290.87161	6.0
337.27383	36.9
379.28488	10.2
397.19144	9.4
397.29266	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57374	4.2
59.30628	4.1
62.28927	4.8
69.07047	5.3
76.95600	5.4
86.09698	100.0
91.71049	10.7
94.51180	5.3
198.69958	5.7
202.32455	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25425	3.9
69.03422	9.5
70.06575	23.8
71.04980	7.3
72.08123	8.3
78.85336	4.9
81.03418	14.2
84.04499	8.5
84.08128	7.8
84.92317	4.5
85.02898	73.0
86.09687	13.5
86.12739	4.9
95.04933	6.0
97.02861	14.0
99.04440	37.1
103.03933	84.6
107.04919	5.9
109.02861	15.8
120.08128	4.8
127.03899	100.0
127.04789	6.8
141.84743	5.5
145.04950	29.5
149.53796	6.7
163.06029	41.2
171.61488	5.8
187.05904	7.0
256.41760	7.4
289.09012	8.5
368.03464	7.5
421.20044	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	398.2666
Annotation	phytosphingosine-1-P
Peak:m/z	Relative Intensity
56.05015	4.7
56.94540	3.3
60.04236	7.7
60.04517	100.0
67.05496	5.2
69.07034	4.0
70.25562	3.3
74.06058	6.2
77.55298	3.3
87.04432	3.8
114.50783	3.5
130.27475	4.0
158.57620	4.0
232.37816	4.6
275.92371	4.4
282.28177	6.9
300.28912	24.9
301.04465	4.0
398.26651	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2689
Annotation	Merresectine C
Peak:m/z	Relative Intensity
56.79738	6.6
70.06572	7.6
79.05486	10.1
81.07070	11.0
83.08635	8.2
91.05477	9.2
93.07055	21.0
105.06982	11.1
107.08575	8.3
114.65967	8.8
121.06533	9.7
134.49706	7.9
142.24879	7.8
147.04410	17.7
149.05991	17.8
161.05975	13.5
247.34039	8.7
254.17601	9.1
398.26801	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	398.2689
Annotation	Merresectine C
Peak:m/z	Relative Intensity
51.46266	3.8
55.73610	3.4
56.58681	3.8
57.26222	3.3
62.31137	3.4
67.05505	6.5
68.05026	4.0
70.06582	28.5
81.07054	6.8
91.05500	11.6
93.07032	15.2
94.06573	4.6
95.08581	7.2
96.08112	5.0
99.28938	4.5
100.07600	6.8
105.07036	17.1
107.08568	10.0
107.39226	4.3
114.05518	7.8
116.07097	10.6
117.07042	7.2
119.08583	15.9
121.10121	9.7
128.07094	9.3
131.08588	5.4
133.10121	10.0
143.08580	6.7
145.10083	10.0
148.11183	7.9
155.43782	4.7
157.10071	7.3
168.10202	29.6
178.08630	8.6
192.10234	7.8
194.11702	9.9
199.14848	4.9
211.15044	4.5
216.69286	4.6
223.26965	4.9
223.64159	5.7
309.11063	5.6
398.21826	4.1
398.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71619	15.5
57.07062	30.6
69.78320	16.6
70.33391	16.6
70.48316	17.0
71.52750	16.0
72.45971	16.0
73.73193	21.8
74.41927	17.2
76.23118	17.7
77.13993	19.3
77.71971	17.4
87.04468	71.2
91.70982	29.3
104.56696	18.8
113.71435	19.2
121.06480	47.8
126.55356	18.5
183.10139	100.0
373.47995	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.05494	15.3
57.03424	7.7
57.07063	9.3
58.11388	4.7
67.05499	45.5
69.07052	19.9
71.67955	4.9
79.05486	64.8
81.07058	40.7
83.08602	8.2
91.05470	45.6
93.06486	7.0
93.07046	100.0
94.03813	4.6
95.04961	20.3
95.08610	31.3
105.07037	40.0
107.08568	37.5
109.10146	9.8
115.03897	12.2
117.07018	11.8
119.08576	27.7
121.10133	30.0
127.03893	7.2
131.08566	12.5
133.10126	17.8
135.11682	28.9
145.10149	15.1
146.85370	6.8
147.11659	15.6
149.13264	13.6
152.31078	6.5
159.11697	12.3
161.13300	14.2
173.13263	6.7
183.11572	7.4
195.12216	6.0
221.50783	5.4
295.20685	7.4
313.21652	20.3
331.22714	58.2
363.25381	15.4
381.29877	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	398.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28399	3.3
57.07064	61.7
57.55033	3.4
62.99718	5.8
63.00037	100.0
66.61364	2.8
71.08624	54.1
71.74939	3.3
73.06541	3.0
83.60773	3.6
85.10172	25.4
89.06032	31.0
91.71678	9.0
97.10136	3.9
104.02657	19.2
107.02621	72.3
109.10461	3.3
120.47999	3.6
130.08679	11.3
133.08612	5.1
148.05258	14.8
148.13167	3.9
151.05211	30.7
195.07796	23.8
201.64302	3.8
213.08896	35.8
370.91245	4.4
381.27637	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	398.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80260	0.4
52.59795	0.3
54.01567	0.4
55.05503	1.0
57.07056	0.5
61.51444	0.4
65.03929	2.0
67.05488	1.3
69.07065	1.9
69.30309	0.3
70.64155	0.3
71.08617	3.2
78.27139	0.4
79.05479	0.5
81.07053	2.3
83.08595	0.4
91.05471	100.0
91.70996	0.7
92.05821	0.8
93.07042	2.0
95.08585	2.5
97.06454	0.5
99.08071	0.6
105.07049	1.1
106.06564	0.6
107.08602	1.1
108.08108	20.5
109.06512	2.0
109.10179	1.1
117.07030	0.5
117.23705	0.4
119.08568	0.9
121.10170	0.8
129.11903	0.4
131.08600	0.5
132.08080	1.0
133.10193	0.5
145.10078	0.4
152.81927	0.5
165.12730	2.3
180.37997	0.4
221.04619	0.4
237.79698	0.4
291.23141	2.6
291.45972	0.4
300.23117	2.0
305.37103	0.4
306.24384	0.6
381.27802	1.2
398.30524	11.2
413.52435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98041	5.2
56.96556	29.6
60.81802	5.8
70.06575	49.7
70.47764	7.2
72.08142	24.8
84.04473	8.8
84.96049	7.7
97.99198	7.0
98.97594	38.3
110.92588	6.5
110.97621	7.7
116.98625	18.9
121.06548	7.2
128.98627	11.3
136.06187	16.2
140.00183	31.5
146.99710	9.4
152.00009	8.3
158.01158	7.5
166.04703	7.6
170.01201	8.7
181.02888	10.0
200.02209	10.2
204.03423	11.1
213.04457	13.8
219.01791	9.0
237.02660	11.7
242.03423	30.9
250.09348	11.0
260.04431	11.3
278.07016	8.8
283.05991	22.8
329.43839	10.6
339.07513	100.0
357.08472	53.5
380.10153	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	22.4
61.01136	7.7
69.03414	7.8
70.06567	2.6
70.81351	2.3
74.02419	7.9
74.06068	9.2
75.02676	3.7
84.04494	3.6
97.02882	100.0
102.05539	32.5
110.80415	2.4
122.12222	2.7
136.06184	90.7
145.03218	3.5
163.55434	2.6
221.21490	2.7
235.42657	3.3
250.09288	75.6
264.09290	3.5
288.89432	2.6
298.09708	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	399.1447
Annotation	S-Adenosylmethionine
Peak:m/z	Relative Intensity
56.04771	1.4
56.05030	20.8
60.35682	0.9
61.01148	8.8
67.18053	0.8
69.03430	9.8
70.06577	3.9
74.02436	6.9
74.06071	7.6
75.02705	2.4
84.04513	2.6
87.19074	1.0
97.02886	90.8
102.05541	38.0
117.02249	1.1
136.06186	100.0
145.03209	2.8
145.44978	1.0
162.07643	1.2
163.04268	1.7
165.06534	1.0
176.59988	1.0
250.09329	77.5
264.08966	3.4
298.09650	14.5
299.04758	1.0
365.90384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29327	7.5
120.56348	9.9
232.36128	9.7
383.72287	8.6
399.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04365	2.7
54.02826	2.7
57.03328	2.5
66.34417	3.2
74.39170	3.2
83.03606	3.2
107.04955	12.1
128.31270	3.6
140.20645	3.1
169.52525	3.7
399.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	17.9
55.08771	4.4
58.78522	3.7
70.06586	36.5
72.08121	4.6
80.92831	4.2
82.06549	10.6
83.04971	8.4
83.08611	19.6
84.04464	6.0
84.08140	12.1
84.23860	4.8
86.09689	17.2
89.83282	4.3
93.96023	4.2
100.07614	27.4
100.11253	49.9
110.07169	14.4
111.04446	30.2
120.08070	8.0
126.09198	8.0
128.07056	29.2
128.10707	7.1
136.82121	5.2
140.07089	8.6
147.11795	4.6
182.15387	76.0
204.26286	4.8
210.14876	100.0
227.17499	5.4
255.17046	10.1
272.19891	5.8
321.28848	5.9
326.57614	5.1
337.21494	24.4
342.33914	6.1
354.23898	13.0
382.23322	17.6
383.56009	5.6
399.10886	6.8
399.26068	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	399.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.07071	15.6
57.43401	1.1
58.06587	5.0
67.05497	3.6
69.07045	3.7
71.08634	10.4
81.07034	4.2
81.23109	1.4
83.08605	4.3
85.10190	8.4
95.08588	6.8
96.27337	1.2
108.01628	1.4
109.10120	2.2
193.76085	1.4
296.29440	100.0
297.29984	1.5
302.64059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97313	4.8
59.05012	6.8
69.03448	5.8
70.06580	23.1
72.08142	8.8
84.04505	9.2
84.08149	9.3
86.09705	22.4
87.04473	17.6
89.06026	9.6
103.03937	100.0
113.06035	7.9
129.10255	11.4
133.43883	6.5
147.06516	9.3
157.13373	6.5
279.30789	6.4
337.18936	6.9
340.55838	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	400.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31829	45.4
67.05488	76.9
70.06596	45.9
79.05473	70.7
91.05479	47.9
91.20280	53.6
92.01573	55.9
93.07032	100.0
105.07043	70.1
114.35998	52.4
152.56386	65.2
257.54175	57.8
275.16409	67.7
357.58099	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59716	13.6
56.66195	13.1
58.77024	11.7
59.53627	12.8
69.07050	30.3
71.53007	12.6
77.53111	13.1
79.72380	13.6
80.87236	14.0
81.07046	55.8
84.04516	100.0
95.08576	21.7
102.05512	42.1
105.07042	19.1
109.10122	13.0
130.05002	63.0
148.06039	74.6
169.61214	16.9
213.14972	17.1
218.42210	16.9
240.13777	35.7
241.14075	35.2
266.63306	18.1
287.60480	16.8
310.55917	18.1
382.25757	23.1
397.39883	19.1
400.26822	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	400.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.3
62.93447	8.8
64.78918	8.7
67.05493	74.7
68.30484	8.9
69.03423	14.9
69.07049	47.2
70.06557	10.1
74.21638	9.7
79.05483	38.7
79.63862	9.6
81.03381	14.9
81.07038	100.0
87.85811	9.3
89.61906	9.3
91.05476	38.3
93.07032	39.2
95.04964	20.1
95.08003	9.0
95.08592	39.2
97.06541	13.3
105.07030	33.0
107.08631	16.6
109.06519	16.6
109.10166	23.8
111.08061	13.8
115.03912	24.7
117.06997	10.5
119.08588	32.9
121.10146	29.7
121.26561	8.8
123.08106	15.4
123.11681	13.7
127.03883	52.6
131.08585	25.9
133.06541	11.5
133.10114	28.3
135.11668	11.4
138.72842	9.1
145.10100	15.2
159.11757	11.3
173.13394	17.0
195.93332	11.2
200.06439	12.2
276.22095	11.3
278.09290	12.0
282.57742	12.4
329.21213	16.7
347.22021	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	400.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20976	5.3
55.01855	9.4
55.05501	9.4
55.43845	4.5
56.78513	4.8
57.03425	6.3
60.08115	4.9
62.63340	4.9
67.05494	35.4
69.07054	20.0
71.95509	5.7
72.03519	6.9
79.05497	23.6
81.07048	100.0
83.04964	6.0
91.05485	13.2
93.07046	14.1
95.04958	15.3
95.08614	20.9
97.63636	6.5
105.07029	14.8
107.08588	8.4
109.06502	23.0
110.58362	5.9
119.08595	15.7
121.06457	7.3
121.10168	7.4
123.08100	11.1
127.03919	11.5
129.06976	6.9
133.10135	13.9
135.08018	8.1
145.10080	11.0
147.11662	9.5
191.14319	6.5
193.17720	6.7
219.13710	7.8
265.14401	8.4
329.21222	21.1
347.22125	65.1
365.23212	17.3
400.28186	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	400.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.4
57.07067	76.7
58.06615	1.8
62.83040	1.6
69.01460	1.9
69.07078	3.3
70.06600	2.1
70.11749	1.7
75.03452	1.7
84.11933	1.9
85.00202	1.9
88.07664	4.2
89.06024	41.0
89.06532	3.1
91.05508	9.4
91.06044	1.8
93.07032	22.7
95.04962	9.0
102.09194	2.7
103.05492	4.2
119.04933	2.7
119.08549	3.1
121.06500	69.0
130.08701	8.3
133.08600	20.9
133.09344	1.8
147.08063	4.5
162.09187	2.4
165.09085	22.7
177.11333	4.3
194.01216	1.9
209.11772	4.8
233.19067	4.0
271.15369	100.0
338.34058	4.2
383.27740	9.2
400.37784	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	400.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16188	1.1
55.05508	14.4
57.07059	2.9
58.06588	3.4
67.05482	1.4
69.06775	1.1
69.07056	11.5
70.06237	1.9
70.06583	22.4
74.06059	1.6
77.54861	1.2
83.08608	6.0
88.07621	41.6
89.77769	1.2
93.61791	1.5
95.08573	1.6
97.10133	2.0
102.09169	17.7
125.39520	1.4
132.10147	2.1
212.60733	1.6
338.34106	34.3
350.96680	1.5
373.26175	1.5
382.36700	1.9
400.37811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73556	2.1
62.15202	2.1
68.02148	2.3
79.51760	2.5
82.56020	2.3
84.08130	3.8
92.49089	2.6
93.07044	2.7
97.60478	2.9
100.07610	2.9
107.04931	17.5
109.33170	2.6
121.06498	6.7
124.76572	2.9
142.03326	2.9
143.80373	2.9
144.08046	13.8
146.06006	3.5
159.06790	3.1
160.07558	3.1
172.07600	13.5
178.07755	4.3
179.08501	3.8
207.08052	14.1
225.09175	6.4
234.42667	2.9
238.12320	14.5
246.50056	2.8
248.10732	34.5
257.87457	2.9
266.08887	5.5
266.11740	100.0
337.14926	3.0
355.16470	21.7
383.11603	3.6
383.16064	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	401.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63524	1.7
64.25938	1.9
65.23389	1.8
91.05465	4.2
104.98256	2.1
107.04960	6.2
109.52382	2.0
115.05421	4.8
117.05725	3.7
118.06546	40.1
130.06506	6.0
132.08090	75.0
142.06592	2.6
142.44826	2.5
143.07362	5.4
144.08075	17.7
146.06006	72.7
170.06007	3.5
188.07051	100.0
188.32268	2.7
224.10628	13.5
270.11292	9.2
283.29968	2.2
389.15134	2.7
396.08597	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91598	3.6
118.49234	5.0
128.33351	5.4
133.83138	5.0
148.66835	5.2
278.16461	5.3
358.85742	5.9
401.22910	100.0
404.87024	6.6
418.98438	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91598	3.6
118.49234	5.0
128.33351	5.4
133.83138	5.0
148.66835	5.2
278.16461	5.3
358.85742	5.9
401.22910	100.0
404.87024	6.6
418.98438	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.251
Annotation	CAY10412
Peak:m/z	Relative Intensity
53.38823	1.7
55.90614	1.7
82.38737	2.0
129.96912	2.3
156.14284	2.8
232.69299	2.1
234.49397	2.4
251.08698	2.1
264.97653	2.3
272.40845	2.5
352.24945	2.4
401.25076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24171	17.2
58.74858	14.6
66.95271	16.9
68.88045	17.8
69.23425	17.3
71.72846	16.8
76.99337	20.2
77.79839	22.2
81.07037	31.7
82.30125	18.1
91.05473	39.6
91.38801	17.9
93.07019	37.7
94.16786	18.0
95.08574	18.9
103.69310	18.3
104.29296	18.5
105.07031	100.0
107.08582	30.2
109.06513	39.5
119.08597	60.1
129.72218	19.9
131.08554	30.1
133.10144	55.2
143.08571	29.0
145.10120	66.0
147.11729	32.3
157.10121	51.6
173.13298	20.0
191.80838	18.5
233.92671	18.6
356.62103	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	401.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25460	1.1
56.96574	1.3
60.07863	1.4
60.08152	24.4
60.51052	1.2
64.40765	1.2
71.04981	38.5
85.49218	1.4
98.97514	1.6
105.38268	1.5
113.20090	1.3
130.12263	100.0
143.99335	1.4
151.84299	1.4
187.02956	1.5
193.32677	1.4
246.26509	1.6
280.03986	1.5
283.47922	1.8
309.50626	1.7
383.23361	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.0
55.01853	2.4
55.05497	1.3
56.05017	1.5
57.03423	3.0
59.08909	1.0
61.02903	5.0
69.03091	1.4
69.03424	18.0
70.06589	8.4
71.05002	2.7
72.08149	19.6
73.02895	1.7
81.03423	7.8
83.06108	1.4
84.04509	3.4
84.08104	1.9
85.02892	33.4
86.09698	10.8
87.04454	3.5
91.03934	1.9
92.63184	1.2
97.02879	17.4
99.04456	2.3
109.02884	5.4
123.04440	1.4
124.28132	1.3
127.03934	7.6
130.06570	3.5
132.04475	4.4
132.08133	4.0
145.04942	3.3
148.07587	1.4
150.05518	5.5
158.06041	7.0
160.07570	2.8
164.07077	3.7
176.07037	8.1
176.10738	1.9
178.08662	5.2
193.07397	1.5
194.11783	3.9
195.08919	3.8
214.11832	4.8
222.11212	26.3
240.12280	100.0
275.22263	1.5
402.17508	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38889	4.1
53.71614	4.0
54.84104	4.9
63.85958	4.2
69.83486	4.5
70.06620	8.7
72.08144	100.0
72.08517	6.0
78.77927	4.6
78.84332	5.1
83.06103	12.5
84.04488	34.5
86.91649	4.8
98.87016	5.3
100.57065	5.4
105.45991	6.2
106.63276	5.3
119.67670	5.4
123.04411	6.7
140.08205	20.7
141.06593	6.1
148.49184	6.0
168.07755	20.2
245.29868	6.4
257.31085	5.9
285.15741	14.7
384.22852	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	402.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12138	0.2
56.05017	1.0
62.20272	0.3
67.05481	0.4
68.05003	0.5
69.81149	0.3
73.94108	0.3
79.05455	0.3
81.04507	0.6
81.07008	0.6
82.05315	0.7
83.06091	7.8
83.06555	0.6
93.04519	6.3
93.07050	0.6
93.48573	0.3
95.06083	5.9
96.08896	0.3
105.07010	0.7
105.15478	0.3
106.13376	0.3
110.07153	100.0
110.24647	0.3
112.08707	0.4
135.57350	0.3
138.06737	0.3
149.09625	0.4
156.07671	25.3
174.06149	0.3
178.05002	0.3
195.30283	0.3
310.25366	0.3
312.42081	0.3
356.23221	4.9
384.22711	1.4
398.83002	0.3
402.23849	25.3
423.05829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.2
56.05023	6.1
57.07067	4.3
59.05000	2.0
61.77518	1.6
63.50820	1.5
67.05498	2.5
69.07063	20.7
71.08612	3.0
81.07040	10.7
83.08627	9.1
84.04496	100.0
84.58651	1.8
85.02898	6.9
85.10183	3.3
89.58218	1.7
91.71651	3.9
93.07049	7.8
95.08617	10.0
97.06564	1.9
97.10172	9.7
102.05544	51.7
102.06196	3.5
107.04941	2.8
107.08594	5.1
109.10149	5.9
111.08031	2.7
121.06520	2.9
121.10173	4.6
123.82504	1.7
128.42899	2.2
130.05009	22.8
135.11702	5.3
137.13264	2.1
148.06024	22.3
162.06795	2.3
167.17972	3.1
182.63017	1.8
191.17960	9.9
201.29124	2.4
206.95750	2.0
208.20686	8.2
209.18991	12.1
227.20110	9.3
229.36327	1.8
237.18542	5.9
254.20996	9.9
273.20618	4.0
306.33542	2.1
310.23834	3.2
338.23334	6.1
384.23831	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	402.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24740	2.5
54.32795	2.6
57.07055	3.1
67.05492	10.7
70.06583	100.0
75.69612	2.6
76.39556	2.5
81.07050	12.3
88.07627	5.3
95.08581	6.9
100.07614	11.6
102.09184	3.7
105.28775	2.9
113.84740	3.5
160.18147	2.9
171.83954	3.5
201.23729	3.1
235.28278	3.3
266.50397	3.4
307.19052	4.1
340.35681	7.4
389.33240	3.5
402.39484	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	402.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25275	10.8
56.05024	18.4
57.07055	37.9
60.04517	100.0
60.17043	9.5
60.63228	9.2
69.07073	17.7
70.06577	20.3
70.72851	9.0
71.08611	12.0
79.05456	13.8
82.06561	27.1
84.04486	12.5
86.06059	24.6
88.07645	19.3
90.05502	10.3
93.07056	12.6
95.08606	18.0
129.01836	42.6
135.11719	13.7
157.01251	17.0
161.45847	10.8
185.08028	22.6
234.49397	11.9
264.26776	60.8
282.27872	63.3
324.29153	16.9
340.35620	21.8
342.30026	52.1
347.83438	14.9
384.31042	23.7
397.37009	13.5
402.39340	47.6
403.24561	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	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29374	5.0
57.07066	18.4
67.05424	5.1
70.06580	26.3
78.40091	5.3
88.07612	30.5
102.09163	20.5
166.87885	5.8
173.17570	6.3
197.55725	6.5
244.18279	6.3
326.27243	7.4
340.35828	49.9
402.39401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90222	1.1
57.07072	11.7
58.06577	3.3
70.06583	29.3
71.08604	5.8
72.08113	1.7
88.07620	35.5
102.09169	22.0
131.21541	1.4
131.57220	1.3
180.42313	1.4
189.59468	1.7
246.25497	1.7
301.09851	1.4
340.35712	43.6
384.38660	1.9
402.39377	100.0
403.39725	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	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63608	4.3
62.82717	4.3
69.03423	49.5
69.07066	4.9
70.06582	13.3
72.08154	9.0
73.55175	3.9
74.82228	4.1
75.05581	7.2
83.04981	5.8
84.04494	8.2
84.08145	7.3
85.02891	6.8
86.09705	95.0
89.82280	4.2
91.05461	5.1
93.07052	5.4
95.04950	9.5
103.05409	8.6
107.04947	100.0
112.52505	5.7
117.06969	6.5
119.04936	9.0
121.02848	5.8
122.07113	6.6
131.04922	19.0
135.04402	24.6
137.67787	5.0
143.11778	21.0
145.06471	8.6
147.04430	8.3
149.05922	10.0
151.30374	4.5
159.04391	18.3
163.03873	41.8
170.06010	4.8
171.11304	8.9
173.05988	11.4
175.03903	19.6
177.05441	8.3
177.69122	4.7
185.06108	7.9
187.03909	10.9
189.05482	5.5
194.38629	5.4
199.07643	6.2
201.05502	14.3
201.92404	4.9
205.04930	44.8
227.07133	6.8
229.04961	16.1
233.14964	5.9
255.06548	14.3
257.08112	8.5
263.07034	6.3
269.07986	6.5
281.08209	17.7
299.09128	53.7
321.11472	7.8
323.09259	21.6
349.10696	22.9
354.99771	4.9
367.11777	19.9
385.12491	7.3
403.13489	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	403.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58916	48.1
69.26247	43.8
81.14432	38.1
83.63008	44.2
99.77290	43.2
139.61969	46.3
185.55612	48.5
191.51869	49.4
221.06433	47.4
275.23447	48.5
403.28348	100.0
416.59204	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.2
67.05504	8.5
91.10845	5.9
91.46614	5.3
91.71703	5.5
92.93781	5.2
93.05814	6.3
101.66996	5.4
107.04971	5.7
108.08128	11.9
109.72324	4.4
113.18770	5.7
114.98134	4.8
136.07567	84.3
136.30244	4.9
141.84552	5.4
164.07048	83.5
182.66048	5.7
193.07756	6.9
213.96774	6.6
271.17029	5.9
278.15366	11.4
403.20148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94791	1.1
57.55342	1.3
57.73371	1.3
69.22924	1.3
71.95165	1.3
75.89790	1.6
96.47607	1.2
103.07704	1.4
134.46489	1.4
151.53880	1.5
191.26842	1.6
215.25815	1.6
403.24490	100.0
404.24722	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	403.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98210	1.5
70.20433	2.3
72.64710	1.8
77.95081	1.8
102.21354	2.0
105.71875	1.9
121.33517	1.8
146.71985	2.1
185.83510	2.2
190.18575	2.1
242.32407	2.7
403.24487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2827
Annotation	Gutierrezianolic acid isobutyrate methyl ester
Peak:m/z	Relative Intensity
51.76063	5.4
57.07063	7.0
57.37906	4.9
67.05490	5.5
69.07040	5.7
71.08624	6.9
77.64889	5.2
81.07047	6.9
91.05490	8.8
95.08627	7.1
102.12367	5.4
109.06528	20.1
123.08099	42.5
135.08128	8.0
135.36703	6.3
179.14330	100.0
196.28746	6.4
284.26001	6.6
336.42313	8.0
371.25522	69.6
403.28503	70.3
407.81531	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	403.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
57.07069	36.6
58.84806	4.6
65.17593	5.3
67.05482	17.1
68.42127	5.2
69.07049	23.0
71.08620	27.3
76.01744	5.9
79.05507	15.7
81.07048	37.5
82.55796	5.7
83.08610	11.8
87.12330	6.5
91.05474	13.7
93.07039	23.3
95.08585	38.3
97.10149	9.6
99.20078	7.2
100.09690	5.2
102.17336	6.2
105.07023	19.8
107.08575	11.4
109.06516	11.5
109.10157	25.0
109.97240	6.3
119.08588	24.4
121.10162	13.0
123.11721	6.6
125.60036	5.8
133.10127	37.8
135.11734	10.7
147.11691	23.3
161.13235	13.2
251.82468	7.2
276.79068	7.0
299.34222	6.7
305.24765	100.0
343.29858	8.9
385.30920	35.0
419.07602	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69601	3.7
57.07071	37.6
69.07023	5.1
71.08610	35.3
83.08617	5.4
85.10175	23.7
87.80196	4.9
88.68488	4.6
89.06014	100.0
107.07021	5.1
130.08626	13.4
133.08623	14.5
151.09656	39.1
196.38965	5.5
258.55261	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	404.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49212	5.8
69.07104	5.6
70.06611	7.3
72.08154	7.3
75.20473	7.4
84.04017	6.9
84.08096	8.4
92.41747	6.4
107.04945	47.2
118.89693	6.8
130.06590	8.0
136.07530	7.4
138.75380	7.5
156.08072	8.1
162.41237	6.9
172.07504	11.6
184.07619	21.6
207.07948	9.8
211.09882	8.5
222.09341	7.9
234.09190	21.6
237.07959	29.8
250.12242	9.8
252.10202	100.0
252.12427	9.6
278.09180	10.1
278.11688	52.7
296.13089	15.3
324.12244	80.5
342.13422	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	404.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82882	1.6
72.19457	1.4
81.42889	1.5
88.37184	1.5
134.55255	1.4
148.77853	1.7
149.17766	1.7
179.47604	1.8
200.21240	1.7
242.09982	5.8
246.13026	1.7
287.11029	13.0
309.67477	2.0
333.11530	2.1
363.88455	2.0
404.15231	100.0
405.15286	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	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71686	3.7
54.64515	4.1
65.76678	4.3
69.03416	6.7
70.06579	10.2
76.02184	4.9
84.04513	4.7
84.08180	4.9
85.02888	8.6
118.31654	5.1
128.00476	5.5
136.07579	8.2
164.07045	14.0
168.32217	5.7
192.06511	28.0
196.09666	12.5
198.39368	5.3
216.63364	5.3
218.90724	4.6
224.09169	100.0
236.92665	5.6
242.10179	29.0
285.35196	6.5
310.07196	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	404.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01915	3.7
55.05496	11.4
56.05017	6.1
58.01760	3.6
67.05486	15.3
68.24158	3.9
69.07051	16.9
70.06573	3.8
79.01671	4.0
81.07040	19.9
83.08615	9.7
84.04496	89.7
91.05510	4.7
93.07045	6.0
95.08611	11.0
97.10191	7.1
98.34351	4.4
100.11330	4.8
101.52249	4.0
102.05537	39.8
105.07031	8.5
107.08614	6.2
107.71352	4.2
109.10156	28.3
111.07999	3.8
121.10155	5.4
123.11713	16.5
130.04982	39.3
147.11656	6.3
148.06042	100.0
161.13254	5.2
161.38164	4.5
170.37157	5.2
198.52655	4.5
203.18024	6.4
221.19104	7.4
368.24246	24.4
386.25238	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	404.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15168	5.4
55.05505	14.1
56.22593	5.4
57.11216	5.9
67.05497	16.3
67.41459	5.9
69.07059	20.4
71.52389	5.5
81.07059	33.2
83.08637	17.6
84.04497	98.1
91.05451	7.8
95.08604	20.5
102.05514	44.2
107.08598	14.0
109.10150	33.4
123.11732	19.2
128.47942	7.9
130.05014	60.0
138.19040	6.6
140.38452	6.4
142.18576	7.0
147.11725	11.4
148.06044	100.0
170.07109	7.1
203.18050	9.8
221.18954	9.6
234.20889	7.6
315.50891	8.4
368.24274	16.3
386.25571	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	405.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46915	7.0
60.04522	8.8
60.42678	5.9
66.31071	6.9
70.06587	34.6
72.08122	10.4
84.04480	12.8
86.09700	12.7
98.90670	6.3
103.12082	6.2
122.02753	8.5
157.30737	6.4
235.08681	9.4
315.21985	6.9
355.09262	100.0
387.11963	39.7
405.12729	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	405.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35478	5.4
58.82763	4.8
59.80815	5.6
61.84593	5.0
70.95869	6.6
72.93771	22.6
81.03403	5.2
81.07040	9.5
90.94822	9.5
91.05463	7.7
91.71654	15.0
95.08602	6.9
111.98477	10.4
113.96420	21.3
114.02012	6.3
116.96429	7.9
154.97864	6.9
154.99042	29.1
162.00043	8.6
172.00578	6.1
188.01540	12.5
202.03087	9.3
219.17525	18.2
283.04596	8.5
286.25366	6.8
333.15002	8.4
343.17596	9.5
361.18399	14.7
387.15988	43.7
405.26053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97428	2.9
70.06608	3.2
72.27856	3.0
74.45087	2.9
75.83187	3.4
92.57298	3.2
159.22006	3.5
169.51884	3.6
189.80342	4.1
219.32967	4.4
262.94510	3.7
343.22678	8.4
361.23325	9.7
369.20538	8.6
387.21329	33.1
405.22443	100.0
407.73111	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	405.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52139	55.2
77.11311	51.8
95.83553	67.1
105.07029	100.0
107.08585	65.9
170.94742	74.3
310.69366	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30710	11.5
52.80482	11.1
53.10704	10.2
53.41540	11.7
56.96558	35.9
67.05476	21.0
67.46828	14.4
69.07074	16.5
79.05450	16.9
81.07036	25.9
98.97571	64.7
116.98640	60.9
123.95453	17.0
134.99669	47.9
140.00189	62.3
158.01242	67.3
176.02231	16.9
181.02881	100.0
261.31131	15.7
319.15991	19.3
369.21243	30.4
387.22058	39.6
410.23853	36.9
428.24673	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43295	1.0
60.14891	1.3
87.37515	1.2
95.29727	1.1
97.45878	1.2
99.94144	1.2
104.16853	1.2
136.82330	1.4
221.08989	1.4
247.00839	1.4
307.23236	1.3
405.26065	100.0
406.26248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39520	1.6
58.08249	1.9
59.53675	1.5
64.76402	1.5
66.37768	1.4
68.59493	1.4
92.01665	1.6
104.87720	1.6
127.32434	1.7
138.96793	1.9
138.97972	1.8
149.40640	1.9
150.07140	2.0
204.20758	2.1
222.46581	2.3
237.55096	2.2
336.54083	2.2
404.36560	2.9
405.26111	100.0
406.26553	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41046	3.6
56.74837	3.7
62.99574	3.6
75.95268	4.0
117.94593	4.5
134.80981	4.3
172.34457	4.3
173.72665	4.8
177.57301	4.5
198.30963	4.0
199.05907	4.5
199.79073	4.5
223.25847	5.1
239.22266	4.9
372.81271	5.0
405.14322	5.2
405.26086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06841	8.6
57.07069	100.0
59.04979	30.3
60.00748	8.3
71.08627	66.1
74.47915	10.4
77.57256	8.9
81.43075	7.9
84.52649	8.8
85.10176	50.3
94.82757	10.0
100.14445	10.0
136.30067	10.4
154.30621	10.2
157.81812	10.9
165.22835	10.7
187.28973	11.3
197.03139	9.9
261.04706	11.5
347.32886	10.4
357.39111	10.9
405.34351	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	406.0749
Annotation	Difenoconazole
Peak:m/z	Relative Intensity
67.01611	8.9
70.06568	37.2
75.81245	8.0
84.08121	26.6
87.97691	8.0
107.82848	9.9
237.39978	10.0
266.59158	9.5
272.11328	9.6
302.09787	9.0
406.07339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1648
Annotation	(+/-)-6-Acetonyldihydrochelerythrine
Peak:m/z	Relative Intensity
55.01852	2.1
64.41194	1.8
79.05469	3.3
87.72790	2.1
91.05478	63.1
91.71099	3.1
97.98391	1.8
103.05474	10.5
103.06100	1.9
105.07014	7.5
107.04958	25.8
118.06527	2.3
119.04970	4.0
121.06528	7.3
130.06538	2.5
131.04956	5.5
158.11273	2.4
178.46635	2.4
206.09694	2.8
210.09172	5.1
212.60951	2.5
220.11259	9.5
222.09251	3.8
223.09843	3.3
224.10873	3.2
230.09639	5.4
234.09109	15.1
235.09938	4.2
236.10771	4.6
238.08653	13.6
248.10657	14.9
250.08649	2.9
251.09323	18.2
264.10104	3.9
296.48941	2.2
314.15381	6.4
324.13757	17.6
342.14868	100.0
349.27170	3.2
352.13354	5.5
360.16052	14.1
370.14438	3.7
388.15460	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	406.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06623	7.5
56.96555	56.2
57.38046	10.2
70.06566	12.2
71.00278	8.6
74.93379	9.9
75.26397	10.9
80.59902	9.9
119.80591	9.6
136.10378	9.3
141.12451	9.5
182.72615	10.2
201.52167	10.0
255.08952	50.2
273.10007	15.8
278.10538	100.0
296.11725	30.7
319.13193	29.1
365.16333	36.8
370.16885	17.6
388.18008	31.9
406.18890	73.8
428.01663	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	406.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77875	7.2
50.97585	8.1
51.02823	8.5
54.14853	8.8
54.28606	7.2
55.01855	17.4
60.25204	9.0
70.06569	12.7
76.50859	11.3
81.07019	10.4
89.92086	9.5
91.05500	24.9
98.06062	100.0
102.41659	11.8
104.11510	9.3
105.07061	27.8
109.27419	9.8
112.17545	9.5
112.99766	14.1
116.07100	29.2
119.08572	53.2
121.06956	10.8
129.07030	16.6
135.64557	10.3
143.08549	16.9
144.06577	40.9
147.08063	11.9
161.09644	28.9
162.07629	23.6
203.14330	28.2
204.72621	11.1
245.15373	32.1
360.21786	20.5
406.22546	55.7
406.27292	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	406.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63650	1.6
56.97880	1.3
57.07073	8.6
57.31709	1.5
58.06580	4.3
66.82041	1.5
70.06583	36.5
71.08618	2.2
72.08132	5.6
82.69923	1.6
84.08125	5.9
85.48392	1.6
86.09696	7.7
88.07571	2.5
114.09183	2.7
132.10181	10.2
143.45738	1.7
145.90733	2.0
146.11734	12.3
190.14459	3.4
212.23688	3.6
218.78192	1.9
238.25327	2.7
252.09473	2.0
256.26309	3.5
257.59631	1.8
300.28918	46.2
300.32126	3.5
344.31552	18.9
406.35242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1336
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
60.68382	12.0
65.38911	13.5
69.23694	17.0
70.06573	29.9
84.04500	30.5
85.96136	13.2
86.09684	17.1
107.04974	47.9
110.07219	29.0
123.04416	36.2
132.58569	15.3
135.04407	100.0
161.31297	17.8
245.08080	31.5
289.30707	21.3
411.12686	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	407.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58589	13.3
70.06574	68.3
72.08147	39.5
75.00296	12.1
82.00887	14.7
82.84203	13.0
82.96882	14.6
84.04511	21.3
84.08137	49.0
86.09708	38.4
88.04037	17.4
89.47260	15.6
91.71642	17.8
94.86798	19.2
116.56406	15.3
118.06595	15.4
118.15549	15.0
120.08090	30.2
125.84344	17.0
128.80759	14.5
136.07567	28.0
138.05521	19.9
141.06628	18.8
160.15666	15.4
166.04999	29.9
184.05995	18.6
194.08348	23.7
206.08170	52.0
210.07996	20.1
270.78873	17.5
283.10455	18.1
288.08521	19.6
292.76569	17.7
297.08765	67.8
315.09628	91.1
333.10815	100.0
347.12381	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	407.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21554	5.1
59.96507	6.7
61.03466	6.0
61.22192	6.4
61.26363	7.5
68.83465	8.4
70.06579	20.9
84.08138	12.9
98.70362	6.7
115.31501	8.1
118.03527	7.2
120.08084	13.3
126.67196	9.0
135.80251	8.4
195.09213	16.3
209.10690	9.7
223.08633	8.3
224.09450	33.1
237.10121	14.3
243.11267	12.5
261.92117	8.3
283.10742	100.0
311.10245	51.9
329.11383	39.2
339.09726	8.8
357.10880	13.4
389.13440	52.1
407.14441	98.0
410.35907	8.4
418.39514	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	407.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03387	4.3
52.44013	4.4
52.60092	4.9
56.05016	7.3
56.47155	5.3
67.05482	12.0
69.07043	11.9
70.02940	6.4
70.06566	13.8
71.45519	5.5
72.08138	7.3
74.00652	34.0
76.02193	6.5
76.03512	5.2
81.07046	19.0
82.20681	5.2
84.04494	100.0
85.01131	22.5
86.09686	9.6
88.04001	30.1
91.05451	10.0
93.07044	53.3
93.07584	8.7
95.08611	6.5
107.04948	18.0
111.08078	8.8
113.60437	5.8
120.01171	72.9
120.08099	7.6
122.02763	9.2
125.04212	18.1
129.00044	6.3
129.06581	8.1
130.05006	19.7
132.01138	11.8
137.83356	6.3
139.07545	8.3
140.01654	12.0
148.03967	11.7
153.03743	7.2
162.05507	7.4
166.04947	12.7
171.04738	20.1
186.02286	12.5
199.07185	7.3
204.06551	7.4
214.08977	19.1
225.96123	7.2
239.39345	6.0
242.08476	18.0
243.06801	7.2
247.37372	6.1
249.05429	20.9
260.09418	39.6
278.10574	80.5
297.08762	10.0
334.84686	7.8
342.89719	8.0
407.14508	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	407.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94377	7.3
56.96551	20.5
61.57452	7.0
64.27700	7.6
85.49377	7.8
128.94772	9.1
203.83649	8.9
204.03368	9.7
221.33051	10.3
255.63857	9.9
361.15805	21.1
366.13840	35.5
384.15051	20.9
407.16513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98618	11.3
56.05024	12.1
60.08154	11.8
62.22412	10.6
62.86338	11.7
67.05498	15.0
86.09702	61.9
90.93226	12.7
95.08640	11.1
124.99963	24.0
133.03410	13.0
136.92670	11.7
142.03560	26.5
155.06552	14.7
175.04526	98.5
184.07375	100.0
203.50108	12.7
204.79420	15.4
246.75751	12.9
248.29231	15.5
273.16867	18.0
314.19641	49.5
319.77551	14.5
332.20914	16.3
347.20670	20.2
355.22595	14.7
364.87778	15.7
407.23026	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59886	2.7
81.70174	3.0
129.66800	3.3
148.88147	4.2
158.79420	3.3
161.37651	2.9
175.20140	3.0
181.92970	3.3
241.53496	3.9
279.94479	4.4
358.48260	3.6
407.23981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93045	2.0
53.52027	1.8
67.77357	1.9
70.06574	3.5
75.46907	1.7
77.50460	2.4
95.68191	2.1
118.43832	2.1
120.16113	2.4
128.68723	2.3
135.45378	2.2
144.06615	2.5
361.11771	2.9
406.35330	8.1
407.24060	100.0
407.35507	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37149	2.3
51.94896	2.6
54.98964	2.9
58.45364	2.5
60.49358	2.6
83.24278	3.1
91.71090	3.3
94.46494	3.0
167.33763	3.1
181.18565	3.3
330.30017	4.1
366.27386	3.6
402.93906	4.2
407.23959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48378	3.8
55.05505	4.7
57.07071	60.7
58.06602	3.8
60.32128	4.2
65.10210	4.0
69.07047	6.1
71.08618	43.5
74.78532	4.1
83.95962	3.8
85.10170	26.6
85.47857	5.0
89.06020	100.0
89.06528	7.5
109.29850	5.2
130.08633	28.0
133.08585	34.3
167.10136	5.6
177.11209	8.4
213.62476	5.2
239.14848	10.5
242.87399	4.9
263.84467	4.9
400.78690	5.4
409.74545	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30422	12.9
62.63396	11.4
73.75891	14.1
74.36022	11.9
84.04503	100.0
86.09718	23.6
86.59659	14.3
89.40289	12.9
91.71128	19.3
95.40798	14.5
102.05575	41.2
130.05090	31.3
134.96164	13.1
135.04448	21.5
148.06091	25.7
153.38089	15.5
177.09160	15.9
179.82195	15.1
261.14999	47.0
328.27835	17.6
390.18991	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	408.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	15.9
56.20837	8.5
60.62640	8.8
60.67575	8.6
67.05483	12.9
70.06577	26.8
72.08143	27.3
75.67729	8.6
76.04027	11.0
76.22357	12.5
84.04488	100.0
84.08128	15.7
86.09701	37.0
91.05478	19.4
93.07023	13.1
95.06055	24.1
102.05547	45.4
109.84892	9.8
116.45933	10.5
117.07011	23.9
119.08586	16.7
120.08131	62.8
120.08852	10.5
130.04977	36.5
141.06998	15.7
148.06082	38.0
160.66196	11.2
180.75470	10.9
183.11681	26.8
198.87317	11.6
225.12943	13.9
226.01936	10.9
261.14911	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	408.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18104	1.4
53.61068	1.3
54.42556	1.3
55.18361	1.5
56.58122	1.2
61.60810	1.4
70.06567	2.5
84.04488	12.1
86.09689	16.2
91.05499	1.6
96.71925	1.6
102.05522	7.5
103.05479	4.0
106.12653	2.0
110.07176	3.2
120.08097	100.0
132.10190	5.9
136.07607	7.7
186.09131	2.9
191.45630	2.0
197.12846	4.0
223.91699	1.8
243.13393	3.5
249.12285	18.7
277.11768	11.2
296.96011	2.0
340.55658	2.0
381.10599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2379
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
55.01857	9.3
56.05015	9.9
56.96542	3.8
67.05470	7.3
69.07065	3.5
70.06577	12.1
79.05452	4.1
81.07034	4.6
86.09690	2.8
87.46893	2.7
91.05467	7.7
92.46069	2.5
93.07032	6.4
93.75744	2.6
94.64098	2.7
95.04960	3.8
95.08572	2.6
96.34406	2.6
98.06043	100.0
105.07006	12.1
107.08596	4.5
116.07082	45.9
119.08566	3.1
121.10130	5.4
131.08554	8.3
133.10098	2.7
138.72377	2.5
144.06551	36.7
145.10124	8.2
149.09627	6.2
159.11636	4.3
162.07574	24.7
163.11221	6.8
187.11156	3.8
187.14737	3.8
201.16681	3.4
219.17441	8.3
229.15860	6.3
241.84709	2.7
247.16911	20.9
286.50204	3.0
302.49664	3.0
344.22092	8.4
362.23209	24.9
390.22787	12.0
408.24130	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	409.162
Annotation	cis-Bis(methylthio)silvatin
Peak:m/z	Relative Intensity
91.87961	3.2
104.46358	3.1
159.48074	4.0
185.93964	3.1
296.15427	4.0
409.16138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.05508	4.7
56.05035	6.6
57.96405	2.2
58.99611	2.4
67.05507	4.1
70.06599	7.0
71.18238	2.6
73.02936	5.7
74.00653	46.3
74.01026	3.5
74.21695	2.3
77.83302	2.9
82.61410	2.9
83.06104	6.0
83.08624	3.6
84.04494	67.1
85.01133	4.9
86.09712	5.8
86.52532	3.2
88.04012	9.7
89.00637	5.7
89.94733	2.8
92.01708	5.1
93.07057	6.7
95.08598	35.2
105.00105	4.9
112.11225	3.1
113.09677	4.7
120.01160	100.0
120.08117	4.2
123.08094	6.0
127.05811	10.3
130.05048	10.9
132.01134	3.8
141.09167	5.9
170.09915	3.8
186.02255	6.2
198.09575	3.8
199.07074	3.6
216.10675	10.1
217.09032	3.2
231.88037	3.3
235.97977	3.3
240.18587	3.3
244.10065	20.8
249.05560	8.8
256.18979	3.0
262.11081	22.3
263.09534	8.5
280.12106	36.0
280.14505	3.3
285.52319	3.8
300.85196	3.6
409.16522	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	409.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52334	0.9
69.03421	2.6
70.06576	2.1
72.08148	0.9
73.02847	1.0
78.29012	1.0
81.03411	2.8
85.02904	11.7
85.06535	100.0
91.71591	1.4
97.02885	6.1
99.04455	6.4
103.03938	11.1
103.07580	1.2
127.03918	10.4
136.07535	1.8
145.04974	4.1
163.06009	2.6
178.94763	1.2
182.08057	2.1
249.75294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2198
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
51.74535	8.6
65.09032	12.2
71.52964	9.7
79.77879	11.9
113.88766	10.6
166.96655	11.0
179.95364	13.1
217.51970	14.1
237.20125	13.8
281.48947	12.9
321.85910	14.6
409.22015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	3.8
61.72744	3.0
67.05508	6.7
68.03622	3.2
79.65617	3.3
79.71701	3.6
81.07082	6.7
83.06105	24.8
84.04496	100.0
91.05492	8.8
91.71485	4.5
93.07043	7.8
101.07173	11.9
102.05502	20.5
105.07064	14.2
107.04942	3.9
107.08652	4.1
117.07077	5.1
119.08611	16.0
120.08073	4.0
121.10211	3.8
129.06581	28.0
130.04999	60.1
130.05884	4.3
131.08643	14.6
133.10150	6.2
143.08620	7.5
145.10201	6.3
147.07623	27.2
147.11766	4.5
157.10204	9.3
161.09697	11.6
185.13333	6.4
199.14880	5.6
203.14357	5.4
216.29202	4.6
217.15991	8.6
227.14386	6.4
245.15422	30.1
262.18259	13.3
314.72275	3.8
346.20239	6.8
373.21060	7.2
374.19891	21.4
391.22327	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	409.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37079	4.4
55.01874	7.6
55.94072	4.7
56.05015	8.5
57.97756	5.8
61.35847	5.0
64.90125	4.9
78.24402	6.2
79.05493	7.3
83.04990	5.6
83.06094	26.5
84.04497	100.0
85.12225	6.9
91.05465	16.0
91.71178	7.9
101.07133	15.1
102.05578	15.6
105.07055	10.8
107.97713	5.6
108.92056	6.6
109.06518	7.0
117.07023	12.9
119.08586	23.0
129.06613	28.5
130.04976	69.8
131.08517	11.6
133.10190	13.0
143.08527	9.1
147.07680	38.3
147.10641	6.5
161.09576	20.7
203.14256	15.7
227.10225	7.2
245.15399	18.7
257.39667	6.8
262.18219	8.2
270.33328	7.0
346.19989	11.1
374.19565	20.0
391.22211	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.2
57.07048	6.2
57.87967	5.3
63.47898	5.3
67.05482	27.1
69.03416	9.8
69.07046	10.9
79.05476	19.4
79.15064	6.0
81.07045	34.6
83.04981	11.1
91.05475	40.2
91.71688	7.4
93.07037	45.1
95.04967	52.7
95.08607	45.9
97.06503	9.2
105.07021	100.0
107.08595	23.9
109.06516	21.0
117.07018	14.5
117.91892	6.2
119.08557	57.9
121.06478	12.1
121.10162	20.9
123.08088	20.2
129.06981	10.1
131.08562	27.8
133.10123	20.7
135.11705	9.6
142.07774	15.1
143.08513	21.9
145.10118	35.0
147.08029	19.8
147.11696	34.7
149.09636	6.9
151.07538	21.4
155.08604	8.1
157.10107	14.2
159.11617	9.7
165.09140	23.9
171.11703	8.7
175.11201	13.6
183.11768	7.0
185.13203	8.5
197.13217	10.6
203.14203	11.7
221.15314	45.9
234.16043	12.1
297.80658	7.4
301.66989	6.8
329.21234	12.7
409.27185	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.6
57.07044	9.2
57.52667	8.8
61.55407	9.1
65.30516	8.5
67.05495	20.9
69.07074	10.1
75.20179	8.5
79.05489	26.1
81.07045	47.0
91.05480	41.9
93.07032	57.1
95.04978	55.7
95.08595	35.1
105.07035	100.0
107.08585	20.0
109.06503	17.9
117.06992	9.8
119.08590	70.7
121.10123	12.6
125.01738	10.3
129.07045	15.7
131.08611	16.6
133.10121	25.0
135.08018	19.1
142.07761	14.5
143.08490	12.5
145.10109	40.3
147.08043	19.4
147.11705	26.5
149.09622	18.2
157.10172	15.8
165.09067	21.1
169.10242	13.4
171.11743	14.0
175.11154	18.4
216.15625	10.5
221.15382	59.5
238.48279	11.9
331.51880	12.5
409.27344	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.2
56.96551	22.5
57.07069	14.4
66.81017	4.7
67.05505	31.6
69.03410	11.1
69.07063	6.3
73.74951	5.6
74.26056	5.2
79.05482	19.7
81.07043	40.8
87.54172	5.2
91.05468	51.4
91.71028	6.6
93.07043	49.5
93.73238	6.1
95.04963	59.0
95.08607	44.2
105.07018	100.0
106.07293	7.5
106.22869	5.6
107.08586	28.4
107.64159	5.8
109.06509	14.6
109.10172	14.1
117.07024	14.9
119.08563	65.2
121.06503	26.2
121.10131	13.2
121.84890	6.2
123.08084	10.0
128.06221	7.9
129.06937	8.4
131.08589	30.5
133.10150	16.6
135.08061	14.7
137.09634	9.1
141.07014	8.1
142.07822	14.2
143.08556	8.3
145.10135	37.1
147.08052	19.0
147.11632	39.3
149.09683	11.3
151.07509	11.9
155.08609	9.2
157.10152	14.2
159.11707	9.6
161.09589	8.8
165.09134	28.0
168.68483	6.5
169.10208	7.6
171.11662	9.9
175.11203	17.2
183.11661	7.1
187.11165	7.4
203.14342	12.7
221.15399	49.5
229.15898	7.3
234.16185	8.1
310.20059	7.1
316.71719	8.6
409.27271	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88094	9.9
55.05500	23.8
57.07071	10.9
67.05504	39.3
69.07044	15.6
77.50748	11.7
77.68840	12.3
79.05479	13.6
81.07053	45.0
85.80280	10.3
91.05462	49.1
93.07036	33.5
95.04963	46.8
95.08614	48.6
97.02815	12.4
105.07021	100.0
107.08612	24.5
109.10178	28.9
112.36161	10.6
117.07008	18.8
119.08534	57.0
121.06502	21.2
121.10161	18.5
122.54651	12.4
123.08096	17.2
129.89919	11.1
131.08551	29.4
133.10162	20.1
137.09615	13.6
138.65805	12.7
142.07788	19.2
143.08597	15.5
145.10110	36.7
147.08018	16.2
147.11697	31.9
151.07539	20.4
153.07004	15.1
157.10178	25.6
159.11604	15.8
160.09184	11.4
165.09125	27.3
169.10214	15.4
175.11137	17.5
177.09169	12.9
181.10072	12.3
197.36678	11.8
221.15388	41.1
246.87494	12.1
250.69896	13.0
351.75320	12.8
409.27206	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	410.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55803	8.7
54.94916	9.3
56.10483	9.4
56.64866	9.7
56.96560	11.8
59.53491	9.6
67.18410	10.5
83.50536	12.3
96.50693	12.4
102.37314	14.1
147.04425	15.4
193.05020	13.2
242.47940	13.8
298.54382	13.8
309.00995	15.8
345.02820	69.4
350.03558	30.4
363.03915	23.8
368.04507	93.7
386.05878	15.9
391.05957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.106
Annotation	Sitafloxacin
Peak:m/z	Relative Intensity
51.63226	2.0
54.36305	2.0
54.37997	2.0
57.60996	2.4
59.85832	2.0
61.72433	2.0
61.74307	2.3
70.06570	3.6
72.08131	2.8
72.19194	2.2
74.61572	1.9
83.69449	2.1
86.30733	2.2
86.36073	2.6
90.06890	2.6
96.56892	2.7
127.41953	2.5
143.03246	3.8
144.41873	2.4
154.76289	2.7
163.71581	2.7
204.21730	2.9
246.07368	3.8
262.06812	26.4
279.69272	3.1
290.06451	7.7
350.08368	8.3
392.09442	12.6
410.10489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99115	1.2
66.68934	1.5
70.06570	2.1
76.22714	1.4
79.05488	3.7
84.04497	2.6
88.98895	1.6
91.05515	1.9
95.04972	2.3
106.06570	10.0
107.04950	54.4
109.02892	5.5
120.08151	1.9
121.06528	1.8
134.05992	11.4
135.04428	30.7
152.07060	100.0
153.41656	1.9
181.82185	1.6
410.25513	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.4
66.39412	1.1
69.39619	1.1
70.06577	3.1
72.08144	1.4
77.40273	1.3
84.04504	3.5
84.08123	2.5
162.05455	3.7
168.88847	1.5
179.20076	1.7
181.88571	1.7
229.09763	2.7
231.07617	16.9
231.11244	1.4
232.81464	1.6
242.02893	1.5
258.09976	23.2
259.10745	100.0
260.11014	2.0
261.46252	2.0
299.04218	1.5
332.69058	1.5
356.60321	1.5
410.17090	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	410.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22620	2.3
55.01878	2.1
57.03445	5.0
57.43150	2.0
61.02934	9.1
69.03417	21.2
73.02937	3.3
73.40411	2.6
77.15884	2.1
77.31203	2.2
77.87930	2.2
81.03432	7.9
81.07051	5.5
85.02892	82.6
91.03990	3.0
91.05471	4.1
93.07026	3.9
96.95145	2.3
97.02888	17.8
99.04507	2.9
107.05036	3.7
109.02908	4.7
109.06528	5.2
112.62640	2.8
121.06493	100.0
127.03952	11.2
137.03938	2.6
137.05978	58.3
137.06927	4.6
145.04912	18.0
145.06544	6.6
161.05995	4.1
180.08751	11.8
188.70700	2.5
231.10254	10.8
297.11218	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	410.2173
Annotation	Isariotin C
Peak:m/z	Relative Intensity
55.05492	2.9
56.05029	6.7
56.67378	2.3
57.03410	5.6
67.05489	14.1
69.07051	7.2
71.04996	14.9
75.82303	3.1
79.05487	8.9
81.07041	15.1
84.04015	5.9
84.04495	100.0
85.02915	3.3
85.06509	4.7
91.05018	2.5
91.05472	22.2
93.07003	14.9
94.02686	2.7
95.04971	3.9
95.08607	5.9
97.06543	4.5
102.05535	47.1
105.04207	3.1
105.07027	20.2
107.04942	5.6
107.08596	10.9
107.31940	3.0
111.57601	2.9
117.06995	9.4
119.08572	24.0
121.10133	4.5
125.86261	2.6
128.06198	2.6
129.07027	13.5
130.05002	38.4
131.08592	17.7
133.10158	10.5
135.08058	4.2
135.11713	4.1
143.08580	14.8
145.06514	4.2
145.10080	6.8
147.08054	13.5
147.11642	4.7
148.06032	37.2
149.09622	5.5
157.10139	11.2
159.08018	5.8
159.11681	3.9
159.89507	3.1
161.09613	20.1
163.11198	3.7
171.13884	5.2
175.11154	7.1
185.13316	7.0
189.12740	4.7
193.96492	3.7
199.14861	8.9
203.14336	4.6
217.15930	6.8
227.14406	10.1
240.40167	3.0
245.15298	30.2
263.16486	18.2
273.17255	4.3
328.18860	6.5
346.20068	13.9
374.19720	10.7
375.23761	11.4
392.20688	30.7
396.36029	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32808	13.4
68.75528	11.7
70.06577	40.4
88.07632	35.0
102.09171	17.2
135.70819	17.2
145.07822	15.8
149.02373	70.4
177.98683	16.5
192.06058	16.8
193.04953	88.6
200.20157	74.7
237.07607	70.3
243.41502	18.5
275.46780	17.2
410.25537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.9
57.03429	31.6
67.05491	54.8
69.07060	23.3
70.89394	13.0
71.04989	73.9
75.04459	24.8
75.86800	10.5
79.05480	26.9
81.07032	59.6
84.04491	100.0
91.05487	47.8
91.71030	26.4
93.07071	30.5
95.08616	18.8
96.72358	12.5
102.05548	42.1
105.07034	55.5
107.08548	31.8
109.10124	16.7
112.14670	12.3
117.07013	20.5
119.08587	50.6
123.91933	13.3
128.27534	11.3
129.06989	16.2
130.05019	45.0
131.08600	16.7
133.10173	40.1
135.11702	36.2
143.08614	13.3
147.04459	31.1
147.11665	13.0
148.06067	37.6
161.09605	31.1
163.56987	15.6
163.58453	16.4
171.13774	33.6
183.13834	23.2
192.30196	12.9
203.14314	14.0
245.15405	36.5
263.16428	19.1
273.16931	49.2
330.37189	14.0
375.23767	74.0
392.20786	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3061
Annotation	Veratramine
Peak:m/z	Relative Intensity
52.02467	5.2
64.14322	4.5
73.92213	6.0
79.91905	4.9
94.46655	5.5
145.59787	6.2
410.30527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60719	7.2
57.07070	56.7
67.20116	7.7
69.15219	8.0
71.08617	32.3
78.61461	6.9
79.95298	7.6
80.25775	7.4
85.10170	31.3
89.06019	100.0
109.67222	8.9
130.08615	21.1
133.08623	45.3
177.11279	14.1
197.45470	9.8
209.63689	11.2
239.14967	25.9
249.07153	8.4
250.99603	8.9
393.32111	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	411.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.2
53.41688	5.1
54.60565	4.9
60.38494	6.0
62.94205	5.2
69.03419	16.4
69.07052	10.8
70.06573	18.0
78.98789	6.6
81.03413	11.6
81.92799	6.3
84.04491	8.3
84.08106	13.5
85.02898	86.5
86.09705	14.8
97.02888	27.0
99.04447	47.0
103.03938	100.0
107.04951	48.6
109.02857	13.3
113.15160	5.6
114.03745	5.7
127.03912	92.2
145.04938	51.1
152.37361	6.8
163.05988	40.7
187.06021	9.3
236.71358	7.2
271.08078	7.4
273.94153	7.9
298.36386	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
61.02930	3.5
65.51006	2.3
69.03415	14.5
69.07059	15.1
70.06568	10.0
71.04984	3.6
72.08160	3.1
79.51003	2.3
81.03411	17.3
84.08160	5.8
85.02895	87.9
85.06540	4.0
86.09683	3.7
87.08086	4.8
90.87573	2.5
97.02892	18.5
99.04442	52.1
103.03937	100.0
109.02880	19.9
127.03906	96.4
145.04939	51.9
163.06007	39.6
187.05978	6.1
271.08133	4.8
311.35422	3.1
422.84702	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	411.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.8
55.05501	11.8
55.36407	3.7
57.03422	18.6
67.05499	31.5
69.07064	11.7
70.06578	9.7
71.04984	100.0
72.08125	6.1
75.04455	11.1
79.05485	13.4
81.07040	32.9
84.24854	3.9
85.06524	20.2
91.05480	7.3
91.71014	4.5
93.05521	5.1
93.07045	21.2
95.08606	15.1
97.06526	67.9
101.06034	9.2
102.67803	4.3
105.07037	6.3
107.08599	13.5
109.10178	5.5
111.08083	11.7
119.08603	5.7
121.10165	13.3
133.10136	5.0
135.11674	12.0
149.13277	4.3
166.41527	4.7
170.63104	5.7
221.26457	5.0
237.18541	33.8
239.42245	5.1
255.19536	13.3
263.89691	5.7
273.17050	7.4
339.21661	8.5
357.22720	37.7
372.05447	5.8
411.18835	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	411.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.8
55.05501	11.8
55.36407	3.7
57.03422	18.6
67.05499	31.5
69.07064	11.7
70.06578	9.7
71.04984	100.0
72.08125	6.1
75.04455	11.1
79.05485	13.4
81.07040	32.9
84.24854	3.9
85.06524	20.2
91.05480	7.3
91.71014	4.5
93.05521	5.1
93.07045	21.2
95.08606	15.1
97.06526	67.9
101.06034	9.2
102.67803	4.3
105.07037	6.3
107.08599	13.5
109.10178	5.5
111.08083	11.7
119.08603	5.7
121.10165	13.3
133.10136	5.0
135.11674	12.0
149.13277	4.3
166.41527	4.7
170.63104	5.7
221.26457	5.0
237.18541	33.8
239.42245	5.1
255.19536	13.3
263.89691	5.7
273.17050	7.4
339.21661	8.5
357.22720	37.7
372.05447	5.8
411.18835	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	411.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99189	13.4
81.07066	14.9
96.75085	13.9
97.96619	14.2
105.13495	14.2
107.59813	13.4
114.38137	14.7
137.77589	14.4
149.92000	13.6
159.35486	17.0
167.18211	15.5
205.34984	14.0
411.27100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51741	5.1
53.63563	5.8
55.05497	23.4
57.07050	9.2
57.11499	5.0
57.43147	5.0
62.04158	5.7
65.83384	6.0
67.05496	78.4
69.07053	30.1
69.26412	6.9
71.04987	10.0
71.24189	5.4
79.05482	55.9
81.07048	100.0
83.08598	9.3
86.09686	10.4
89.06013	10.3
91.05474	27.2
93.07032	87.6
95.04929	8.5
95.08603	53.5
97.10176	11.2
97.64236	6.6
99.04442	18.7
105.07029	26.8
107.08599	41.9
109.10135	19.8
117.07000	8.9
119.08590	24.2
121.10134	36.7
123.11672	10.2
131.08597	11.5
133.10129	18.4
135.11696	35.7
145.10184	11.8
147.11659	12.6
149.13275	22.0
159.11703	9.5
163.14815	18.1
173.13255	11.3
177.16422	9.9
184.07382	13.3
207.48409	7.2
227.44434	7.0
243.21178	10.7
261.22183	16.6
266.75928	6.9
305.24713	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85145	11.3
55.05495	26.0
57.07057	31.5
60.08155	14.4
60.56298	12.1
67.05486	58.5
69.07060	53.9
70.21731	13.8
71.04963	41.9
71.08611	15.4
79.05477	100.0
81.07034	42.1
83.08617	18.2
84.11254	15.8
85.10203	19.0
89.06017	16.8
91.05463	20.0
91.71665	30.4
93.07063	33.5
95.04965	16.0
95.08612	28.9
97.06520	56.6
107.08594	28.3
109.10201	27.2
115.07542	16.6
130.12262	50.5
131.08575	17.5
133.08612	23.5
261.22034	20.8
280.96735	16.3
306.61041	14.7
411.28357	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	411.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59507	2.4
55.05504	19.6
55.12070	2.3
57.07056	6.4
58.63337	2.3
60.07953	1.8
60.08147	20.8
60.11391	2.5
63.35255	2.6
64.97073	2.0
69.07058	23.0
70.06580	84.8
71.04984	25.6
74.02434	10.0
81.07050	3.4
83.08603	12.5
88.07613	7.2
89.78799	2.9
97.10146	11.8
102.52155	2.6
116.07087	52.5
124.82609	4.0
134.24763	3.1
148.54895	3.5
275.27386	3.1
334.40790	3.4
352.28397	27.0
389.45483	3.2
411.35782	100.0
412.36243	3.5
428.09085	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	411.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.8
55.05264	1.3
55.05507	19.3
57.07067	9.1
60.08158	20.8
61.74336	1.2
67.05496	9.0
69.07063	29.3
70.06231	2.0
70.06583	24.1
71.04991	19.0
71.08614	5.7
72.08146	2.4
79.05470	4.8
81.07053	12.8
83.08159	1.8
83.08612	28.2
85.10178	3.6
91.71510	1.2
93.07029	6.6
95.08606	11.1
97.06533	3.0
97.10157	15.4
107.08586	4.9
109.10146	3.6
110.49138	1.4
111.11703	3.2
116.07082	12.6
116.34409	1.3
121.10126	5.2
123.11659	1.7
126.40444	1.4
129.25137	1.3
135.11678	3.2
137.13193	1.8
149.13213	1.7
150.10255	1.3
237.22147	8.8
306.27826	1.7
308.29434	3.2
316.24374	1.5
352.28427	34.9
367.22968	1.7
411.35782	100.0
412.36008	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	411.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88443	3.0
53.36938	3.6
55.05503	18.4
57.07067	5.7
58.13165	4.1
60.08154	22.2
60.89452	3.1
62.93400	2.9
67.05505	4.4
69.07063	26.2
70.06588	76.7
70.41679	3.1
71.04994	22.2
71.08641	4.4
74.02432	16.6
81.07056	5.6
83.08601	18.6
88.07580	5.7
91.71041	7.8
95.35796	3.5
97.10173	11.3
102.22575	3.7
116.07081	53.4
119.47201	3.5
182.37517	4.1
207.32417	4.6
242.15901	5.1
296.35397	4.4
352.28384	27.1
411.35791	100.0
411.40994	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.5
57.07069	7.9
67.05488	2.9
69.07059	9.0
71.08634	5.6
73.07706	1.3
79.05413	1.2
81.07049	9.1
83.08608	3.3
85.10172	5.7
91.05465	5.4
91.43442	1.0
91.82607	1.0
93.07026	4.0
95.04956	1.5
95.08600	10.6
97.10161	3.4
109.10149	6.8
111.11733	2.2
121.06495	100.0
121.10098	1.2
123.11717	3.9
125.13250	1.8
135.08069	6.5
137.40622	1.2
147.08043	10.1
151.14819	1.7
154.79442	1.1
161.09615	5.3
165.16437	1.8
173.09474	1.5
195.95729	1.4
236.80453	1.1
247.56848	1.5
315.45496	1.2
411.36169	2.7
437.57816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.9
56.05013	96.7
74.02431	86.1
75.02697	26.0
81.07048	35.7
84.04523	34.0
90.99818	24.9
102.05553	23.5
105.07000	22.4
150.59288	26.7
163.82401	30.3
166.05356	28.0
179.64684	28.0
242.39578	32.2
273.35040	28.2
275.36606	28.4
286.31580	36.1
334.18665	35.6
348.21729	100.0
412.21503	50.8
434.62973	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05478	3.0
59.96991	2.9
61.02910	2.7
63.55460	3.2
69.03407	10.0
69.07062	2.9
70.06583	33.2
71.04955	3.5
72.08132	4.1
73.02920	3.2
81.03401	20.1
85.02897	88.4
91.71472	17.1
92.15280	3.4
95.96045	3.3
97.02881	25.5
99.04449	48.5
101.47397	3.3
103.03933	99.3
108.22038	3.5
109.02870	18.6
110.07161	36.8
127.03904	100.0
127.04794	7.8
145.04959	49.8
150.45917	3.4
156.07690	25.5
163.06000	45.7
186.07744	4.5
187.06021	4.5
271.08081	8.2
279.51505	4.5
394.27066	6.9
412.27985	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	413.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55157	32.9
53.97892	34.3
54.39662	35.2
56.96549	81.1
57.13088	32.2
59.53808	39.6
70.06571	48.9
73.73902	42.0
84.95960	34.5
97.96788	78.6
115.97853	48.5
163.40161	43.4
207.27402	48.4
217.91180	42.2
223.30859	49.9
269.03174	46.1
292.04745	63.3
334.05914	77.2
394.08063	51.4
435.10281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1324
Annotation	4-methylamino-4-dedimethylamino-anhydrotetracycline
Peak:m/z	Relative Intensity
53.05903	6.3
60.09927	5.9
63.87856	7.3
66.19334	6.4
70.06587	19.8
77.17806	6.6
82.07928	8.0
82.89159	8.2
86.09717	8.6
91.71019	7.3
105.72071	8.5
110.07150	12.1
129.57603	9.1
131.38019	7.8
413.13113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.22736	0.3
56.05024	0.8
60.29635	0.2
60.66702	0.3
62.59951	0.4
63.53789	0.3
67.84724	0.3
70.06571	0.4
74.06064	2.9
77.19897	0.3
84.04517	0.7
92.46995	0.3
94.04070	0.4
102.05521	1.2
115.08639	0.3
119.03545	3.6
120.06572	7.8
120.63988	0.3
136.06184	100.0
137.04604	2.6
137.06555	0.4
162.04103	57.0
163.04431	0.5
217.79637	0.3
268.10318	0.9
281.09912	36.1
282.10049	0.4
290.86530	0.4
384.85751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76769	1.6
70.02943	4.6
70.06579	4.3
74.52085	1.7
75.24696	1.7
75.96379	1.6
85.02888	4.7
88.07626	47.2
99.60650	1.6
107.04962	1.9
114.05520	5.8
114.94122	1.9
117.58825	1.8
121.06516	7.0
122.58392	1.8
134.26845	1.8
158.09679	2.2
186.09149	2.9
200.09171	100.0
231.50955	1.9
237.70236	1.8
280.13370	13.9
326.13895	6.3
405.40460	2.3
413.20599	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	413.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22211	1.6
56.86852	1.8
63.10955	1.7
90.39085	1.9
131.44875	1.9
231.23610	2.0
282.18503	7.4
322.74872	2.2
413.22961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2296
Annotation	Arg His Thr
Peak:m/z	Relative Intensity
53.01792	2.1
70.93549	3.4
77.10995	2.9
91.71004	4.1
115.55775	2.8
122.42308	2.9
221.34523	3.2
222.52190	3.1
247.14891	3.3
278.22556	3.4
311.69717	3.6
413.22937	100.0
414.23273	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	9.8
59.04981	13.1
69.07043	43.4
73.06549	13.2
77.70857	11.0
87.04457	100.0
90.16203	11.0
91.05439	17.8
94.70776	10.0
101.52277	10.9
103.03933	60.6
105.06994	15.6
108.95103	11.0
111.11712	13.2
121.06488	33.9
129.12848	16.1
131.08496	14.3
133.06482	28.8
135.07996	25.4
138.59300	14.1
185.09869	12.0
189.12823	12.9
194.47263	14.7
222.48578	12.6
261.51013	12.9
272.43799	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	413.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27039	13.2
55.05496	36.2
57.03419	68.7
66.76881	15.6
67.05489	87.7
69.07058	43.1
75.04466	34.0
79.05446	17.1
81.07042	99.5
83.08607	21.9
91.05486	27.3
93.07022	27.7
95.08604	74.6
97.10170	24.9
109.10147	46.8
117.05488	100.0
121.10149	27.5
128.27780	19.5
135.11678	32.6
136.34929	18.0
153.07001	16.0
159.61552	18.1
237.18217	17.2
339.81097	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	413.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	48.8
57.07074	35.7
60.05630	24.9
67.05492	65.8
69.07053	65.3
73.90169	13.3
79.05476	14.8
81.07059	100.0
83.08598	64.9
85.34939	15.1
91.71625	27.6
93.07028	25.8
95.08591	69.3
97.10152	25.4
99.46499	13.8
100.63263	14.3
109.10184	26.6
121.10172	34.9
123.11697	23.9
131.36568	18.1
137.13263	16.7
149.13313	22.4
157.11330	15.3
159.06520	90.3
177.09860	17.0
237.22198	42.2
249.51982	16.6
296.98264	15.7
353.26740	90.4
381.27393	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	413.305
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
55.05502	7.1
57.07076	10.8
64.00975	5.8
65.43559	5.3
67.05516	6.5
69.07063	10.8
71.08647	6.9
81.07059	19.9
83.08643	10.1
91.05476	8.2
93.07098	10.1
107.08645	8.5
108.81283	8.2
121.06549	10.6
135.08075	7.4
233.16685	7.4
245.06161	6.4
259.16946	12.3
273.14862	17.7
343.77994	8.4
362.35583	7.3
413.30414	100.0
439.00095	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	413.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10625	8.5
55.05490	11.8
61.10851	7.9
69.07046	19.1
71.37328	8.9
81.07037	19.8
97.83129	8.2
101.20286	9.4
105.07026	18.9
109.10143	13.0
118.44812	9.6
121.06497	20.4
123.86709	11.1
125.00024	11.6
159.08006	29.6
184.07347	16.4
201.12698	20.1
215.14288	19.3
227.14351	13.6
233.15482	20.0
274.87958	10.2
283.59479	10.6
413.34219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	Adiantone
Peak:m/z	Relative Intensity
52.52594	2.5
55.05491	4.5
57.07070	5.2
67.05496	6.4
69.07053	9.1
71.08607	5.7
74.19882	3.1
79.05495	7.1
81.07048	14.7
83.04985	5.4
83.08596	3.6
89.50114	3.5
91.05492	4.1
93.07047	4.7
95.04907	3.7
95.08607	11.4
97.06524	99.0
97.10139	4.3
107.08528	4.6
109.06513	100.0
109.10168	5.0
119.08543	4.4
123.08064	10.4
123.11700	5.4
145.10237	4.3
158.56184	3.2
159.11652	4.2
191.33603	3.4
205.67809	4.3
241.40578	4.2
259.22006	3.4
349.63599	3.6
413.32745	6.1
413.37744	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59312	7.4
53.52473	6.5
53.70272	7.0
55.01879	9.0
55.05496	30.3
57.07065	16.1
69.07043	15.4
69.69047	7.4
72.08167	53.7
77.30312	9.2
83.08595	15.2
90.97500	7.6
95.08622	10.3
96.08118	11.6
97.10146	9.4
98.06033	12.3
114.09114	16.3
117.35158	9.4
145.76144	9.6
336.32660	17.8
354.33676	31.1
413.41006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.0
55.05510	8.6
55.24783	1.3
57.03434	1.3
57.07060	1.9
58.99579	8.5
63.04367	1.2
67.05493	28.0
69.03423	2.4
69.07059	24.3
71.04984	3.1
73.20901	1.6
76.02220	23.3
77.25190	1.5
79.05486	13.7
81.07052	26.1
83.04970	7.1
83.08605	6.2
86.99041	6.0
89.89977	1.5
91.05466	20.9
93.07036	25.0
95.04445	1.7
95.04943	10.0
95.08601	20.8
97.06532	4.4
97.10148	2.1
100.02187	3.2
105.00082	7.3
105.07029	21.6
107.04943	5.8
107.08572	12.9
109.06525	11.8
109.10159	7.1
117.07014	6.2
119.08578	12.5
121.06511	10.3
121.10139	7.1
122.02720	63.2
123.08064	5.1
128.06311	2.3
129.07047	2.3
131.08568	13.2
133.06522	3.1
133.10130	15.1
135.08044	4.1
135.11696	4.8
137.09622	2.7
143.08531	4.0
145.06451	2.4
145.10120	11.7
147.08122	2.5
147.11655	9.4
149.09604	5.2
149.13307	4.2
151.11211	6.3
157.10150	3.2
159.08023	2.3
159.11668	6.3
161.09592	2.7
163.11211	6.0
166.26038	1.6
173.09615	3.1
173.13246	4.0
175.11217	2.8
191.14223	3.1
205.15678	2.2
207.13799	2.4
219.13869	3.6
229.19559	3.1
239.17880	1.8
253.88055	1.7
257.18994	11.8
275.20023	100.0
276.20386	2.1
293.21075	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.5
56.05027	6.5
56.27483	3.8
67.05505	13.3
67.19656	3.8
69.07072	16.1
70.43609	3.8
81.07068	18.0
84.04494	100.0
91.05507	5.2
93.07084	7.0
95.08632	13.5
102.05540	38.8
105.07058	5.4
107.08599	14.2
109.10207	8.7
121.10177	5.6
123.11671	6.0
123.77781	5.2
127.50341	5.3
130.04973	33.4
133.10164	5.5
137.09720	5.2
137.13246	5.0
147.11705	7.7
148.06004	23.2
152.69702	4.8
161.13319	6.4
203.17996	10.3
212.44870	4.8
217.66205	4.5
221.18956	24.1
246.92014	4.7
249.18504	17.4
322.23917	10.7
368.24426	5.4
396.23877	8.1
400.65677	5.2
414.25015	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64721	3.1
54.02031	2.6
55.01857	8.5
55.05498	13.1
64.68303	3.1
67.05499	32.6
68.44701	3.5
69.07058	19.1
69.29689	3.6
71.04981	6.3
72.58964	3.1
73.75816	3.6
75.94512	3.3
79.05486	29.0
81.03389	4.2
81.06602	6.7
81.07047	100.0
83.04931	4.7
83.08597	9.2
91.05464	24.5
93.06512	5.4
93.07011	26.8
95.04971	16.2
95.08604	21.8
97.06534	4.6
99.08082	4.6
105.07011	16.8
105.51605	3.6
107.08592	17.8
107.09281	3.6
109.06512	30.4
109.10168	13.4
111.08037	4.5
115.03942	9.3
115.05441	4.2
117.07014	6.9
119.08578	36.3
121.10139	7.1
123.08065	13.0
123.11691	6.7
127.03931	19.3
131.08571	8.7
133.10135	15.0
135.08064	6.4
135.11667	4.4
145.10100	5.1
151.07530	4.7
157.10138	4.3
161.13219	4.9
161.61588	4.2
200.25516	4.3
237.14824	10.9
265.14352	7.9
277.93021	4.6
329.21060	16.6
347.22107	80.0
365.23486	19.7
379.24863	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	414.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.8
55.05501	24.0
56.96551	7.1
57.03429	11.9
65.03947	6.5
65.60679	6.0
67.05499	80.4
69.03417	16.0
69.07062	53.1
70.02441	7.6
71.04987	22.3
76.36456	6.8
79.05484	44.7
79.80963	6.7
81.03401	19.3
81.07049	100.0
83.04964	12.1
83.08595	8.9
84.28911	7.4
91.05453	56.7
93.07047	64.2
93.29341	7.1
95.04952	24.5
95.08590	42.7
95.43662	6.9
95.89302	7.5
97.06538	18.3
105.07029	42.7
107.08596	30.7
109.06522	15.1
109.10151	36.3
111.04445	9.4
115.03935	20.8
117.07016	19.7
119.08574	92.8
121.10136	28.8
123.04449	11.7
123.08061	15.5
123.11693	15.4
127.03862	57.8
129.06964	9.8
131.08588	16.4
133.10117	27.6
135.08113	11.6
135.11688	18.4
137.09592	12.8
141.05513	9.0
145.10123	19.4
147.11737	16.7
149.09521	9.7
159.11674	9.8
185.13177	8.0
249.14894	13.3
253.14207	12.2
256.89731	9.2
281.17496	36.7
329.21109	12.9
341.85056	10.1
347.22122	18.0
414.23337	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	414.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94066	11.4
55.98322	11.7
57.03424	53.3
67.05494	30.3
79.05488	56.3
79.19505	11.7
81.07050	45.2
91.05470	58.0
91.71615	18.8
93.07037	92.7
95.04974	24.7
95.08624	52.4
98.11391	13.3
105.07041	63.2
107.08601	43.2
117.07076	15.6
119.08600	100.0
127.03978	15.1
133.10126	17.9
135.11688	14.4
137.63737	13.5
139.40547	14.8
145.10092	23.2
147.11763	23.2
157.58308	14.0
159.11708	22.0
169.10107	15.0
171.11781	22.3
183.11749	14.1
275.16330	25.5
311.20126	26.1
329.21005	46.0
415.19241	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	415.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61253	1.9
54.43817	2.1
64.48896	2.4
70.06578	5.7
73.96100	2.0
86.09656	4.1
95.06084	3.5
97.94450	2.6
103.47028	2.3
137.66959	2.8
140.77150	2.8
151.58798	2.4
170.07249	2.6
180.27487	2.7
305.50772	2.5
331.06677	3.0
335.86145	3.0
401.35736	2.8
415.13565	100.0
416.13812	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51846	1.6
56.02024	1.7
57.61283	1.6
60.05635	10.3
70.06582	100.0
71.04993	5.9
72.08168	6.5
86.09710	6.6
99.80104	2.2
107.04991	2.5
107.42814	2.1
112.08784	6.4
113.07108	2.4
116.07132	3.7
121.06568	7.3
130.09755	15.4
158.09377	2.5
179.85239	2.3
186.98972	2.5
249.85332	2.4
264.71912	2.3
292.13510	2.3
297.53348	2.4
310.14325	3.5
337.19724	2.3
338.14114	3.6
397.18808	4.5
415.19666	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	415.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63907	0.5
69.03412	0.9
78.99013	0.4
79.05482	0.9
79.29455	0.5
88.81236	0.5
91.05471	7.8
102.13355	0.5
103.05411	0.6
104.06263	0.9
107.08583	2.4
117.07011	2.0
119.08572	100.0
121.95498	0.4
133.06500	1.4
135.08023	2.2
162.59090	0.4
179.30670	0.4
208.93178	0.5
272.90518	0.5
362.68488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39911	0.5
69.03391	1.2
79.05466	1.0
91.05476	9.3
107.08628	1.2
117.06980	1.9
119.08572	100.0
120.08968	1.0
122.73056	0.8
133.06454	1.5
135.08043	1.4
211.54677	0.7
227.10672	0.8
407.28885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2301
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
53.16769	1.8
54.43686	2.0
56.48309	2.3
63.73818	2.1
71.26646	2.1
116.63265	2.3
244.65088	2.6
313.16187	16.9
327.18008	3.0
366.09915	3.1
415.22986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78330	5.1
74.32132	5.0
87.53336	5.3
95.53686	4.7
103.99204	4.9
119.08582	11.5
169.90269	5.4
201.98694	5.9
223.26613	5.6
326.86844	5.3
376.73218	6.2
415.30209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	58.2
58.77487	42.3
58.96978	35.1
59.48391	36.2
69.07058	87.8
71.08590	39.5
79.05476	48.2
81.07042	74.8
83.08584	56.5
91.05464	42.2
93.07054	72.6
95.08601	82.5
105.07034	69.6
107.08577	83.1
109.10174	55.4
113.96882	44.4
118.22943	45.4
119.08566	100.0
129.07010	48.7
131.08571	71.8
131.10587	51.4
145.10129	79.5
183.11710	58.5
200.18747	43.5
223.41582	48.6
302.92496	49.3
351.30585	75.1
397.31067	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3565
Annotation	HMDB12169
Peak:m/z	Relative Intensity
52.72976	7.9
53.54398	6.7
55.05496	11.4
56.64213	7.6
57.07062	8.8
67.05482	12.4
69.07059	16.4
76.36205	10.6
81.07047	33.5
83.08614	12.5
91.05484	8.7
93.07043	10.5
95.08591	37.8
101.20789	9.3
105.07037	16.7
105.43851	9.2
107.08618	13.0
109.10200	10.3
114.59940	10.9
119.08558	21.6
145.10130	9.9
175.11089	12.6
185.52431	9.6
205.78340	11.1
296.62146	11.7
348.63959	13.5
397.34076	15.2
415.28848	15.0
415.29935	16.6
415.35657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3568
Annotation	HMDB12169
Peak:m/z	Relative Intensity
55.05507	14.5
60.32914	11.6
61.91297	13.0
67.05479	28.1
69.07053	23.0
69.67883	9.4
69.84743	12.1
73.40564	15.1
79.05497	19.4
81.07051	29.9
83.08603	21.7
91.05467	24.9
93.07014	16.0
95.08596	36.5
105.07027	14.5
107.08596	21.4
109.10114	12.5
119.08587	33.6
121.10195	21.8
123.71240	12.8
129.85841	12.6
133.10161	22.8
145.10161	13.5
148.51920	12.8
157.10147	22.0
159.11737	16.8
163.11189	20.3
361.45181	14.9
397.34586	100.0
415.35733	35.5
425.91995	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	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13413	0.5
66.34792	0.4
69.48022	0.4
70.06561	1.2
72.08148	0.6
74.06055	1.3
74.90702	0.4
86.09682	0.5
91.05464	2.7
92.31796	0.5
93.07037	4.8
94.81339	0.5
95.04956	1.7
103.05451	2.8
116.07070	1.9
121.06494	100.0
122.06821	1.4
129.16193	0.5
133.45146	0.6
137.05980	1.0
138.09129	27.8
139.09479	0.7
145.05060	0.7
166.08568	0.7
180.13118	0.6
228.00864	0.6
316.34210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96888	2.6
65.13791	3.2
70.06575	5.6
70.60204	3.0
107.04947	26.2
121.06516	8.9
130.06519	100.0
132.04486	11.9
133.08870	22.4
138.98801	4.4
148.07578	12.7
158.06007	20.1
159.55251	3.5
185.61758	3.6
200.87495	3.7
224.10680	20.0
270.11234	7.8
351.60324	3.9
371.17596	28.1
417.18185	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	417.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	2.3
67.53240	0.8
67.70372	0.7
69.27799	0.8
70.06585	100.0
71.04996	1.8
85.17310	0.8
91.05500	3.9
93.07053	5.5
95.04974	1.7
100.11278	1.4
103.05502	3.1
106.06558	1.9
107.04947	6.8
109.10348	1.0
118.06599	4.0
121.06500	32.1
123.04426	1.8
130.06578	1.8
130.12263	7.8
132.08165	2.2
133.08873	1.1
136.05301	1.0
137.06021	2.6
144.08078	12.3
192.10190	5.1
204.10252	2.3
211.73360	0.9
214.12416	1.4
238.12318	2.1
240.10120	1.4
254.11856	3.9
348.15912	36.7
417.21722	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	417.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	1.2
56.05021	2.0
69.07066	8.8
70.06569	6.9
70.83244	1.5
72.08135	16.0
72.16549	1.5
74.06059	1.7
75.05569	2.0
84.04498	12.6
84.08127	3.1
86.09693	100.0
86.14706	1.5
87.10013	1.8
93.60184	1.4
102.05530	3.7
113.07136	2.4
118.08675	5.6
134.08131	1.7
143.11780	2.3
147.85518	1.8
169.06084	3.9
187.07172	8.7
231.17023	3.3
254.14964	4.8
300.15347	3.1
326.35800	1.8
345.19037	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08247	4.4
57.07066	98.7
57.41739	4.4
60.29584	4.9
64.24963	4.8
65.40656	5.1
73.65845	4.2
80.85163	5.0
84.69624	4.6
88.12878	5.0
89.06024	100.0
91.05453	9.8
91.71034	8.2
130.08665	19.6
131.52490	5.1
133.08595	50.9
152.03973	6.5
155.02571	46.4
175.11174	6.7
177.11267	7.7
183.05759	14.6
184.02875	7.5
199.05228	14.7
211.08885	6.9
217.06204	9.2
267.15073	81.3
305.11652	28.7
311.17593	12.4
312.31479	6.2
417.24185	11.4
444.45898	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2457
Annotation	Arg Leu Glu
Peak:m/z	Relative Intensity
50.30297	0.6
51.10498	0.6
61.84862	0.7
62.54019	0.7
70.01347	0.7
79.09720	0.9
92.64036	0.8
128.64827	0.7
133.74765	0.8
297.20453	3.0
343.20932	2.1
356.65161	1.1
399.51889	1.0
417.24554	100.0
418.24646	2.4
441.49170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.6
67.05488	4.7
69.07033	3.1
81.07055	5.5
82.37849	2.6
85.02924	3.6
91.05459	6.8
93.07019	4.3
95.08614	6.0
105.07045	4.0
107.08566	3.8
117.07125	2.8
120.65134	3.0
121.10143	3.8
122.08573	2.9
147.04405	6.6
151.22301	3.5
299.89240	3.1
384.97153	3.6
417.26102	100.0
418.25638	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	417.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74507	10.6
55.05506	15.8
56.63329	12.9
67.05483	38.2
69.07111	16.3
70.91025	14.0
81.07035	34.4
85.07053	13.5
91.05468	22.1
92.04206	14.5
92.76557	13.5
93.07056	22.2
95.08598	37.4
105.07050	27.7
107.08560	22.2
119.04934	18.5
119.08625	18.2
121.10164	30.3
124.59086	16.9
133.10159	22.4
147.04414	100.0
165.05493	28.9
166.93346	15.4
229.67229	19.6
270.94919	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	417.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41945	11.3
52.02191	13.5
55.51570	11.9
57.07074	13.0
59.27319	14.2
67.05501	38.3
69.07078	22.5
78.47733	15.0
81.07079	53.1
89.64088	15.9
91.05489	37.4
93.07057	39.8
95.08584	31.7
98.09444	14.2
104.04093	15.3
105.07015	88.7
106.06676	15.2
106.18111	14.9
107.08612	35.7
109.06522	100.0
109.10167	23.2
109.75603	17.0
119.08612	73.3
121.10189	51.3
123.11755	19.0
131.08603	28.7
133.10118	39.9
135.11719	34.9
143.08586	20.8
145.10127	39.1
147.04388	37.9
147.08109	19.4
147.11688	26.4
155.08578	19.9
155.49835	15.6
157.10165	22.3
161.09647	27.2
162.27072	15.7
171.11676	33.4
173.13322	17.7
193.10068	15.5
286.85645	17.2
297.21936	19.3
417.27896	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1685
Annotation	Asp His Phe
Peak:m/z	Relative Intensity
51.29279	3.2
53.47175	3.9
70.06566	6.8
72.08140	7.8
72.19604	3.3
79.13608	3.4
84.96333	3.4
86.09704	11.1
95.98985	3.3
103.71645	3.5
110.07260	4.4
119.21751	4.1
125.50983	3.7
136.06178	24.9
137.15840	3.9
256.11633	10.3
301.12708	8.6
418.16821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75504	0.4
51.91386	0.4
56.05017	0.9
60.37690	0.4
60.60191	0.4
67.05493	0.5
68.05027	0.5
68.74106	0.4
81.04559	0.6
81.07037	0.8
82.05318	0.6
82.50770	0.5
83.06099	7.6
91.05502	1.4
93.04523	6.5
93.07001	0.8
95.06094	6.3
105.07032	0.8
110.07160	100.0
111.07465	0.7
117.07014	0.5
119.08598	1.4
121.10134	0.5
129.06963	0.6
131.08627	0.7
144.47801	0.5
156.07680	26.7
157.10161	0.8
161.09662	0.6
216.33347	0.5
354.21729	3.9
365.92105	0.6
382.21228	1.6
400.22290	20.3
401.22787	1.0
418.23212	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	418.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49713	2.1
57.07061	11.6
61.02911	2.0
62.25209	2.0
63.46457	2.0
67.05487	2.2
70.06586	36.0
71.08628	4.2
71.92884	2.2
72.08150	4.5
73.73463	2.0
81.07054	4.0
85.10189	3.3
86.09703	7.2
88.07619	8.4
94.43718	2.9
103.98418	2.5
105.06995	2.3
109.58492	2.2
110.51408	2.7
132.10193	16.3
146.11783	12.8
190.93459	2.6
312.32657	6.9
336.27982	3.3
356.35220	49.6
418.38870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81463	3.0
57.07038	3.7
65.03918	3.3
70.06579	17.1
71.08620	5.2
72.08140	7.8
73.68003	2.7
77.26113	3.2
79.05502	4.3
84.08148	7.0
85.02888	9.6
86.09691	11.0
91.05450	7.6
95.04972	4.9
100.10687	3.5
101.91374	3.3
103.05482	4.0
103.75372	3.4
105.85876	3.5
107.04262	7.6
107.04953	100.0
121.09144	3.4
128.06163	4.3
131.04919	13.2
135.04408	6.2
145.06432	3.9
147.04404	8.0
148.14769	3.5
149.05946	8.4
159.04442	15.0
163.03902	8.4
173.05980	5.1
175.03915	35.9
177.05533	6.8
184.53172	3.6
187.03920	16.3
199.03989	3.7
201.05411	18.1
201.42073	3.8
205.04947	42.3
229.04950	9.3
241.04979	4.1
251.07002	5.0
257.08127	7.4
269.08130	22.1
278.95505	4.0
281.08289	5.7
281.69205	3.5
299.09091	30.2
323.09091	17.6
347.09351	8.0
353.10214	8.5
359.44873	3.9
365.09985	6.1
383.11490	4.9
401.12305	6.0
410.47449	4.1
419.13138	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	419.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93511	12.9
67.05482	9.8
70.38039	10.7
70.95859	18.6
71.14781	10.0
72.93781	14.4
88.96909	13.2
91.05472	14.6
103.79649	13.5
105.07025	15.7
110.52923	11.3
111.98472	27.5
113.96398	27.3
154.99063	33.7
157.99104	13.6
162.00087	12.5
169.99005	28.3
318.25800	13.6
323.18930	14.5
351.63593	15.8
366.09561	15.2
387.16193	40.9
419.18762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29340	60.8
75.60780	73.3
83.50632	62.6
149.66975	71.3
160.17743	70.2
317.60837	100.0
335.83774	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05950	65.3
55.10684	67.9
55.17862	70.5
56.71941	67.0
57.07068	75.5
77.71260	69.2
109.81081	83.2
278.79535	88.4
295.23987	100.0
349.45001	82.6
409.92059	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2403
Annotation	Arg Met Leu
Peak:m/z	Relative Intensity
57.07029	1.2
62.64189	1.0
63.71849	1.0
68.52229	0.9
69.10331	1.0
111.14329	1.1
131.94797	1.1
141.92012	1.2
199.35457	1.1
234.00453	1.4
372.40921	1.3
419.23999	100.0
420.24387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2402
Annotation	Arg Met Leu
Peak:m/z	Relative Intensity
53.07441	3.1
53.26648	3.2
54.65315	3.2
56.96554	4.2
58.02332	3.8
59.31812	3.3
66.38694	3.5
69.03460	3.4
92.17442	4.0
115.35265	4.8
158.73634	5.2
186.19807	4.8
215.06328	4.9
256.57523	4.9
277.13745	4.5
410.06879	5.2
419.23993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2402
Annotation	Arg Met Leu
Peak:m/z	Relative Intensity
50.67535	2.5
54.75884	2.0
57.35606	1.7
68.14703	2.2
75.19739	2.3
117.18705	3.2
125.27274	2.3
137.39899	2.5
139.20395	2.4
228.25270	2.6
237.81833	2.7
244.19682	2.8
318.17731	2.9
363.66913	2.9
380.18414	2.8
419.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33488	3.9
56.96553	4.6
57.06717	3.6
59.13138	3.0
60.03996	3.2
67.18407	4.0
70.06559	5.6
78.61275	4.2
85.02870	4.3
85.47491	3.5
90.92371	3.4
98.97613	6.3
106.77917	3.8
120.25382	4.0
123.68564	5.2
128.33324	4.6
131.22621	3.9
134.91234	4.0
180.46704	4.3
219.01811	6.4
237.02864	8.4
242.03374	8.4
259.65466	5.2
260.04507	8.9
283.05923	4.6
303.07571	4.5
321.08554	11.4
344.10205	17.5
420.12122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82858	1.4
52.09531	1.3
55.05525	1.8
67.05492	15.3
69.07060	3.9
70.06581	6.1
79.05491	5.2
81.07043	15.2
88.07620	100.0
91.05518	3.2
93.07035	6.1
95.04984	1.8
95.08608	12.6
96.98805	1.6
99.75079	1.4
107.08593	2.8
109.10165	4.3
121.10186	2.6
125.39649	1.6
133.10136	2.7
271.16360	2.1
402.30042	3.5
420.31406	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	420.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75571	9.0
57.07068	58.4
71.08633	53.0
77.94843	11.8
81.62106	12.5
85.10173	16.4
89.06034	100.0
110.41680	11.1
130.08667	36.0
133.08669	18.9
149.02361	30.3
150.02617	16.5
151.09660	66.2
158.77354	11.9
277.85233	13.1
329.53116	13.6
332.69553	13.6
397.01923	13.9
407.38574	14.0
427.97260	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	421.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	14.2
71.01359	8.5
86.09707	12.1
89.02417	6.5
91.05520	6.6
107.14535	5.0
115.29575	6.7
120.08116	12.3
121.82453	6.3
152.33568	5.2
164.07024	5.6
171.09270	7.9
172.07726	9.1
184.06242	7.9
199.08665	31.2
209.07137	6.8
211.08957	6.0
213.06670	6.2
223.08800	10.5
225.10240	7.6
227.08159	91.4
237.06863	7.1
245.09152	34.8
251.08258	23.0
255.07582	59.5
255.09566	5.6
267.07544	8.4
269.09232	12.0
273.08670	76.2
273.11066	7.7
279.07693	10.4
283.07339	8.9
297.08597	26.8
298.05933	7.3
301.08286	11.8
315.09738	15.2
325.08112	26.8
327.09842	15.5
343.09293	25.6
353.07608	12.5
361.10114	46.1
371.08823	22.8
389.09760	100.0
421.12491	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	421.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	100.0
104.99258	33.2
112.43167	22.0
316.00153	27.8
331.15851	31.5
354.17328	31.0
359.18741	35.4
370.16885	33.2
372.18420	63.1
385.16653	26.7
395.20065	33.5
403.18204	31.3
419.83331	26.2
421.20084	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.8
57.03428	13.3
57.07078	50.8
66.14787	6.8
67.05499	15.9
67.90659	7.4
68.79753	7.4
69.07070	16.8
69.61022	7.3
79.05466	10.2
81.07043	33.4
83.08652	12.0
86.32750	8.4
91.05466	19.4
93.07031	20.9
94.44474	8.0
95.08612	12.5
96.16946	7.4
104.99265	9.8
105.07046	15.0
107.08589	9.2
109.06503	20.3
116.78933	7.6
135.08105	15.0
137.05971	30.9
151.07521	11.5
165.12790	12.7
168.27974	8.3
177.12781	11.0
277.46646	8.9
296.00391	9.9
324.56967	9.9
338.96954	10.7
347.25797	100.0
358.16754	13.5
365.26581	14.5
399.19855	11.5
421.29443	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26245	5.7
70.06580	17.6
70.15465	6.7
76.28982	6.8
84.37042	6.9
101.73635	7.0
133.87238	7.0
152.12772	7.4
164.07071	13.1
183.45668	7.4
204.67444	8.3
209.10982	7.8
226.07295	17.6
227.11771	20.2
237.90039	7.8
240.08797	11.6
241.09671	13.9
249.24451	8.1
255.11224	69.0
283.10828	20.2
301.11789	100.0
396.42368	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	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35247	0.8
57.07065	8.6
58.06582	3.2
58.64807	1.8
65.03934	4.7
70.06580	23.5
71.08604	3.4
88.07619	29.2
89.11173	1.1
98.29846	1.0
102.09176	24.1
103.45606	1.4
112.27774	1.1
116.79501	1.0
119.98798	1.2
121.02848	2.6
136.84030	1.1
139.03900	3.2
149.02333	96.9
149.03387	5.1
149.63841	1.2
152.10435	1.2
193.04948	100.0
256.26328	45.5
259.79034	1.3
390.67407	1.4
422.28967	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	10.0
58.36953	10.7
62.69941	10.6
67.05485	15.1
67.13191	10.3
68.48138	9.7
69.07057	38.4
71.32295	9.4
72.08154	25.0
79.05478	14.0
81.07044	41.0
84.08118	32.8
86.09702	16.0
92.11985	11.0
93.07030	36.3
95.08574	23.0
98.85990	11.2
109.10152	16.0
119.08540	11.3
121.10149	38.2
138.28644	11.6
376.31970	75.6
422.32520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08681	2.8
55.05514	2.7
57.03432	61.5
64.22762	2.8
67.05509	11.9
69.07092	4.1
79.05476	6.8
81.07075	9.3
83.98309	2.7
91.05466	3.0
93.07043	7.8
95.08595	6.0
105.07021	3.5
107.08601	6.4
109.10159	3.5
121.10159	5.6
123.11742	4.0
127.11182	100.0
131.08644	3.7
243.21056	4.0
261.22171	13.9
276.21237	2.8
407.50848	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	423.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53757	2.0
62.11892	2.2
62.80167	2.4
65.03935	2.8
67.05485	6.7
72.08153	3.5
84.04526	3.0
84.08133	4.8
84.78481	2.9
86.09723	6.7
93.03423	7.5
94.06590	3.4
101.85821	2.9
103.05447	2.8
108.08080	4.8
110.06007	3.2
117.61263	2.8
120.08114	4.3
124.07580	22.4
136.07578	9.6
138.05511	9.9
152.07057	31.3
157.08878	3.3
158.09630	5.3
162.05533	4.4
164.07098	17.5
166.04955	15.0
170.09601	5.7
172.11208	4.4
182.09764	3.9
184.06038	7.5
186.09143	7.1
190.82198	3.1
196.09732	12.9
198.09102	8.0
199.09865	3.2
200.10664	6.1
213.07892	3.4
214.08687	8.1
226.08583	14.5
228.10303	5.5
240.06592	10.1
241.07373	12.0
242.08165	11.0
244.09746	4.4
254.08086	38.4
255.08917	3.7
256.09625	21.4
272.09100	12.8
274.10693	24.6
275.39130	3.3
278.54630	3.5
282.07562	35.4
284.09149	13.4
286.10672	6.2
300.08606	29.9
302.10202	21.4
328.08115	22.0
330.09756	5.7
332.11493	7.2
334.12946	8.5
342.09766	9.9
346.09192	6.6
360.10724	100.0
362.12271	32.7
381.58694	3.2
403.65750	3.6
406.11215	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	423.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17789	2.5
53.03934	3.9
57.03410	3.0
61.02923	4.6
69.03411	15.3
70.06565	5.5
70.12021	2.3
71.04614	3.2
71.04984	46.6
72.08138	4.2
73.02913	3.1
76.92551	2.8
81.03417	15.9
81.03816	2.6
83.22392	3.2
84.04470	4.0
84.08123	4.4
85.02899	63.2
97.02891	31.2
99.04450	78.1
103.03938	72.7
109.02877	22.3
116.44599	3.1
117.05493	44.0
118.37023	2.8
126.23210	2.8
127.03908	100.0
142.11775	3.1
145.04961	48.5
146.50233	2.6
163.06026	26.5
168.06511	5.0
187.06035	4.2
210.97104	3.3
289.09381	3.4
325.33609	3.1
331.75967	2.9
388.37921	3.0
423.10147	6.8
436.15265	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	423.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21920	3.9
69.03410	4.5
70.06557	5.5
72.08143	6.0
79.05493	7.8
86.92035	4.7
91.05456	15.0
91.71409	16.8
93.07034	8.0
95.04969	7.7
105.07011	12.7
106.06561	8.5
107.04949	51.7
117.05770	7.0
117.45905	5.4
119.04973	20.7
119.07352	10.2
121.06509	43.5
123.04474	6.7
125.93510	4.8
132.08087	54.1
133.10098	9.0
134.06039	9.7
135.04440	19.6
144.23973	5.4
146.16043	6.1
147.04376	13.7
150.17256	5.4
152.07025	32.0
153.27176	6.2
155.73410	5.9
178.08705	17.0
183.06882	10.9
184.07617	11.8
196.07620	24.9
212.09415	7.4
213.10262	11.3
224.07138	23.7
225.08125	9.6
225.10274	35.5
226.12311	85.6
253.09659	7.0
272.12796	100.0
272.15472	9.1
358.10788	12.6
359.13898	92.7
376.11816	12.1
377.14893	54.3
382.38498	6.9
387.13501	27.1
392.54251	6.3
405.13751	7.7
423.15369	99.1
446.16837	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37779	11.4
57.32835	11.2
66.47324	11.5
72.18490	11.4
75.27361	12.3
79.40735	11.6
119.04944	25.9
147.04434	17.3
225.10191	28.3
279.09158	15.3
359.13751	91.0
365.56488	16.3
377.15002	66.5
393.04031	18.2
423.15335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1586
Annotation	Asterelin A
Peak:m/z	Relative Intensity
51.61154	11.8
52.04308	12.2
53.96500	14.5
54.29399	11.2
56.20348	12.4
56.25152	11.9
56.25438	11.1
59.80031	10.9
89.31888	11.8
91.05466	25.2
92.74384	13.9
107.04961	37.6
113.14625	13.7
131.04912	17.1
199.07579	35.6
207.07840	17.6
210.06743	44.8
213.09097	100.0
225.09114	38.2
266.50000	14.9
317.11545	20.2
423.16003	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.159
Annotation	Isoplagiochin C
Peak:m/z	Relative Intensity
53.42052	1.0
55.01869	1.6
57.80248	1.2
57.96078	1.2
58.23964	1.1
91.05469	9.1
93.07031	14.9
95.04966	9.4
103.05470	10.2
105.03423	1.6
105.07025	4.0
107.04948	36.6
110.51568	1.2
121.06497	100.0
131.04889	1.9
145.06454	1.6
146.72310	1.8
157.06499	4.9
181.06490	4.4
209.05989	2.6
211.07587	4.9
226.66530	1.4
239.08456	1.6
241.10068	2.1
252.09564	2.1
256.08829	2.7
259.11493	1.8
265.10123	3.1
268.08844	4.4
269.09537	3.7
271.11227	3.7
281.09650	4.6
283.11276	5.4
284.08221	3.7
292.08890	2.3
293.09677	3.8
297.09140	3.8
298.09863	1.6
299.10681	8.2
311.10535	10.5
315.10184	5.2
317.11795	10.2
329.11691	23.2
330.12415	2.3
344.51352	1.5
349.12317	3.9
365.11584	5.8
366.12250	4.8
367.13290	5.1
379.13132	2.2
405.15033	7.5
423.15891	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	423.159
Annotation	Isoplagiochin C
Peak:m/z	Relative Intensity
80.69517	5.1
82.92680	5.1
84.97496	4.7
91.05492	11.1
93.07074	20.2
95.04992	7.8
103.05495	8.7
104.02456	4.3
107.04955	10.2
112.82051	4.5
121.06496	100.0
121.07294	7.7
125.07967	5.5
181.06485	37.0
197.01019	5.1
209.05986	45.5
210.06776	53.7
244.09233	4.9
319.17282	6.6
329.11661	26.8
423.16336	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	423.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85510	4.3
70.06580	22.1
71.02437	5.0
72.08144	6.6
73.84341	5.6
84.04515	11.8
84.08124	7.7
84.39191	4.8
85.02905	6.6
86.09691	12.8
86.46158	5.4
91.05488	5.8
91.71100	6.6
91.95060	5.4
103.03925	6.2
107.04957	19.6
110.06046	12.0
120.08113	6.6
129.10194	7.5
133.09070	6.1
136.07561	9.5
137.06039	5.7
138.05508	6.8
159.46660	6.1
161.08324	14.7
162.09148	41.0
174.05716	6.3
188.07117	25.6
189.07893	17.0
190.08675	24.3
191.09445	7.3
203.11909	11.0
220.09694	15.8
222.11264	39.8
234.07648	6.8
235.08528	6.9
247.82086	6.5
249.09875	7.7
252.08952	16.1
267.11151	42.9
281.12842	21.0
283.10895	8.9
294.09995	27.0
299.13953	17.0
309.12387	32.9
327.13327	32.5
355.08994	9.9
355.12845	27.0
363.15305	10.5
373.13858	20.8
387.15598	49.7
405.16589	100.0
423.17679	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06611	1.1
55.01871	2.3
55.62079	1.3
57.07086	1.3
60.04531	1.1
60.35088	1.2
61.01142	14.0
65.77799	1.1
72.04508	22.1
73.02921	2.8
78.03781	29.1
81.03420	2.4
82.72557	1.1
83.04997	3.4
85.02906	11.3
85.06549	2.5
86.06091	3.0
86.08031	1.1
88.02203	6.6
90.05602	2.1
95.04981	1.6
98.02422	2.1
99.04447	8.2
99.05602	5.1
102.03754	36.2
103.02207	4.6
103.03940	22.8
104.01725	1.9
109.02879	6.2
112.07625	2.2
113.06036	2.1
114.03767	5.4
114.05525	2.6
118.09053	1.2
120.04849	5.8
124.07607	2.0
126.05515	30.7
127.03922	8.7
131.06369	16.4
132.04797	21.5
142.08670	7.3
147.05911	1.6
149.07434	67.2
152.07072	3.2
154.08676	3.7
158.02843	1.3
159.05893	3.2
175.05368	4.3
180.06555	18.7
184.09747	2.9
198.07663	3.1
204.06982	1.5
216.08737	1.7
231.11731	4.3
243.11452	1.7
261.12891	4.0
265.88019	1.6
275.10623	1.6
293.11624	100.0
401.46411	1.5
405.16864	34.3
405.21951	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	423.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	47.2
57.73466	1.2
61.56953	1.1
67.69948	1.0
70.43802	1.2
71.95251	2.9
72.96073	1.7
81.07039	1.8
86.06055	6.1
97.99187	5.2
107.04847	1.6
109.10198	1.7
116.00208	2.0
123.01147	1.7
128.98650	2.6
133.10080	1.8
139.01790	1.5
146.99684	2.5
152.00269	1.8
169.08914	1.5
170.01250	4.0
172.02832	1.9
178.05449	1.4
201.53853	1.7
289.14700	40.0
307.15756	22.0
307.18988	1.8
310.82336	1.7
330.17377	100.0
331.17670	4.8
363.18356	19.7
371.20163	8.3
440.89783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36461	0.9
55.05523	1.2
56.96560	53.4
64.46725	1.0
67.05508	2.8
68.40405	0.8
71.95274	4.1
81.07065	3.1
86.06084	2.1
93.07045	2.2
95.08668	1.3
97.96836	1.3
97.99194	4.6
103.23927	1.1
104.26263	1.0
105.07029	1.1
107.08632	1.7
110.97578	2.0
113.89207	1.1
113.90341	0.9
115.97903	1.2
116.00262	1.2
116.98662	1.2
123.08061	1.2
128.98634	2.0
131.00287	1.1
137.02756	1.4
139.01819	2.3
145.10190	1.2
146.02869	1.6
146.99716	2.8
151.04300	1.2
152.00206	1.8
154.01752	1.1
166.67476	1.9
170.01276	2.4
172.02843	1.4
178.05446	1.2
193.02911	2.7
222.08160	1.8
289.14697	44.4
307.15799	20.9
330.17365	100.0
331.17792	3.8
348.18567	4.5
363.18399	19.0
371.20114	7.7
408.77264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07856	1.0
56.47201	1.0
62.95224	1.2
67.00019	1.2
70.06583	100.0
84.08147	1.6
91.05462	1.6
93.07059	2.4
95.04967	1.2
101.07098	1.7
110.28044	1.1
112.07601	94.7
121.06502	44.2
129.06604	2.2
138.09093	7.4
140.07062	67.7
141.07452	1.9
147.07669	2.6
152.05653	2.4
157.09723	3.1
240.13409	2.6
261.96960	2.8
268.12881	3.2
271.76410	1.5
286.13956	28.1
433.83627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
54.91498	8.4
68.61766	9.0
81.47408	8.1
86.99738	7.6
89.59900	7.9
132.81610	7.5
145.41817	7.9
149.79338	8.1
176.54044	8.4
230.30383	8.7
243.37025	9.2
245.64786	8.4
423.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18206	5.2
55.25607	4.4
55.97596	4.6
89.18336	5.9
254.31720	7.4
315.10391	8.0
336.76993	8.0
360.00626	6.8
402.03058	6.8
423.23505	100.0
441.75528	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	93.3
57.22984	17.4
87.85235	18.8
91.71050	30.0
120.12977	24.9
150.23042	19.0
186.29582	21.0
204.34898	20.9
235.09579	22.1
317.31140	26.8
363.22070	42.7
423.23926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99126	73.9
57.52005	66.0
73.77914	61.2
84.54147	80.3
92.60338	77.4
100.68552	76.7
115.50124	81.2
139.55238	74.5
152.06401	91.5
156.24782	80.0
168.50191	84.5
286.01547	89.3
292.67160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65365	1.8
54.98429	2.2
55.05495	7.2
57.03444	2.3
57.07061	7.5
60.26054	1.8
63.84261	1.8
67.05492	14.9
69.07054	9.3
71.08617	7.4
79.05474	5.9
81.07043	20.2
83.08622	3.0
85.06535	3.9
91.05447	3.9
93.07039	10.6
95.08584	16.0
95.50198	2.0
97.06555	2.6
105.07042	9.4
105.29408	2.0
107.08598	9.2
109.06509	26.6
109.10213	5.6
110.73081	2.6
119.08562	7.2
121.10127	8.7
123.08057	45.7
123.11792	2.4
131.08574	3.2
133.10127	5.9
135.08057	13.4
135.11676	3.1
147.11681	4.5
159.11745	3.0
177.12737	3.5
179.14308	100.0
193.15950	5.3
205.15887	6.1
213.63069	2.6
293.21057	4.1
328.72971	3.1
331.26303	29.6
349.27359	3.8
423.31027	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.8
57.07052	8.0
59.04982	2.1
61.59991	2.1
67.05491	9.4
69.07052	7.4
71.08620	6.3
71.59885	2.5
79.05486	6.2
81.07050	17.2
91.05489	3.4
91.45164	2.2
93.07039	9.7
95.08586	12.3
102.92899	2.5
105.06998	7.4
107.08593	8.2
109.06521	26.3
109.10167	6.3
117.07029	3.6
119.08572	7.1
121.10116	6.4
123.08060	37.2
133.10168	3.5
135.08076	11.8
137.09624	2.7
139.40862	2.3
145.10080	3.4
159.11702	3.3
179.14308	100.0
193.15970	3.7
205.15987	3.0
331.26276	30.1
376.19769	3.2
423.31012	75.1
423.35876	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.5
57.03423	4.6
57.07052	3.6
67.05489	17.2
69.07059	19.4
70.82036	3.0
74.77601	4.1
79.05503	5.2
81.07040	27.7
83.08613	6.6
91.05502	9.0
93.07037	12.1
95.08626	16.9
95.68389	3.2
97.06481	3.1
105.07024	11.4
107.08583	10.0
109.06524	15.5
109.10136	8.9
119.08541	8.3
121.10143	12.4
123.08058	82.3
131.08607	5.0
133.10118	6.6
135.08054	13.7
135.11681	6.4
137.09651	5.4
149.09613	5.6
149.13240	5.6
159.11707	4.1
175.14650	3.3
177.12750	6.7
179.14241	17.6
276.29910	3.7
293.21204	5.1
303.26825	6.3
331.26334	33.7
349.27548	6.5
356.72836	4.0
386.46210	4.3
423.31030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76563	1.4
53.82008	1.5
55.05500	3.8
57.07054	7.1
60.23732	1.7
67.05493	11.3
69.07047	5.8
71.08608	5.1
73.14974	1.8
79.05462	4.2
81.07043	15.9
83.04990	1.8
83.08620	3.0
85.06525	3.3
86.25633	1.9
91.05459	4.3
93.07008	6.6
95.04971	1.8
95.08620	10.9
97.06506	2.3
97.10125	2.1
97.47431	1.8
99.08073	2.7
105.07012	7.3
107.08592	7.7
109.06497	21.6
109.10141	4.4
119.08545	4.0
121.10133	4.0
123.08058	36.8
131.08559	3.5
133.10136	4.2
135.08040	9.7
147.11710	4.0
149.09656	2.0
179.14297	100.0
180.09718	1.9
193.15793	4.1
205.15892	3.9
331.26294	28.1
334.88815	2.1
395.98077	2.2
423.31015	79.9
424.30847	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96094	8.8
53.58046	10.8
56.72222	9.9
56.82782	9.2
70.11515	10.6
82.92085	11.0
84.08149	10.0
92.32907	10.9
107.04978	19.7
161.40559	11.8
166.74937	12.0
234.09203	21.5
237.07872	41.2
252.10179	100.0
257.46854	14.1
307.25668	14.8
322.98981	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	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04095	2.6
53.56304	2.1
55.01854	3.5
55.08516	2.3
57.03420	3.0
61.02917	2.3
62.49878	2.9
62.67089	2.7
67.05483	4.5
67.45139	2.8
69.03413	4.1
70.06561	3.9
72.50367	2.4
81.03387	4.9
84.04530	2.8
84.08110	5.6
85.02879	17.7
95.04932	5.1
97.02877	7.1
104.56289	3.0
107.04944	51.6
109.02857	13.8
123.04420	86.6
123.05320	4.3
124.54315	2.9
130.04979	3.1
135.03368	5.1
135.04404	100.0
136.05157	5.5
137.05981	3.2
144.33661	3.0
145.04997	3.5
147.04575	3.6
153.07043	5.7
167.97456	3.3
179.87305	2.8
181.06441	13.9
185.05742	3.8
199.07530	13.6
209.05838	4.6
221.83279	3.2
227.07024	25.9
245.08078	80.3
268.87909	3.6
326.07449	3.7
429.44324	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	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16259	1.8
53.03933	2.6
57.17682	1.6
61.02908	3.2
63.19042	2.0
64.86893	2.0
69.03410	13.6
69.48991	1.9
69.80818	1.9
69.91296	1.9
71.04970	3.2
81.03394	12.5
85.02897	74.9
85.96522	2.0
91.71673	2.9
97.02875	19.5
99.04446	39.1
103.03932	92.5
103.04610	5.0
109.02851	13.0
115.57381	2.6
127.03904	100.0
137.12929	2.2
145.04955	50.9
163.05991	48.2
166.90912	2.4
177.42235	2.2
186.07716	3.0
187.06079	4.5
258.38147	2.7
289.09216	6.0
307.10205	7.3
424.19489	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	424.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00544	9.2
51.29882	9.4
63.20211	13.8
68.05006	13.8
70.06568	34.8
76.27586	10.4
86.94115	12.7
91.05467	31.2
93.07043	20.3
95.08620	13.0
95.11706	9.6
96.08147	12.3
100.07609	25.9
105.07039	50.5
107.08562	17.7
108.08120	13.2
108.70686	10.4
119.08566	38.3
120.63854	10.8
122.09635	14.3
128.07089	18.6
131.08549	19.3
133.10092	18.1
143.08568	22.8
145.10129	19.5
154.08635	33.9
162.26152	11.5
173.13312	19.3
183.11682	17.3
194.11714	13.5
332.22116	100.0
424.28372	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	424.284
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
56.39279	39.7
57.28204	34.0
63.16530	34.4
69.16373	34.5
81.07019	45.2
91.71626	64.5
95.04934	61.7
105.07032	67.5
111.61977	42.5
117.71331	50.4
119.85455	41.9
143.08617	49.5
145.10016	55.9
150.94887	48.3
174.78236	40.1
181.10446	49.0
187.03682	46.1
194.11798	59.9
225.16940	51.1
406.27307	61.8
424.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94346	1.7
60.10975	2.2
65.18385	1.9
67.14675	2.1
73.74352	1.9
75.58746	2.0
76.49831	1.9
76.57274	2.4
84.32360	1.9
84.52424	2.2
85.26408	1.9
93.96194	2.0
101.00909	8.9
106.39939	2.0
119.01930	18.6
124.02482	6.2
131.01944	3.7
142.03458	15.5
143.01883	29.8
145.03470	4.6
154.03508	5.2
155.01865	10.9
157.03465	4.0
161.02962	29.8
165.05141	11.5
167.01973	7.2
173.03003	10.3
179.02008	3.2
180.05113	2.5
184.04547	52.2
184.06032	4.4
185.02936	24.8
185.04324	2.7
194.06647	3.8
196.04564	17.0
197.03044	8.3
203.03961	13.4
208.04507	22.9
214.05592	3.1
215.04100	3.2
220.04622	7.9
222.98822	2.7
225.07394	2.5
226.05678	7.3
227.04114	9.1
236.94991	2.4
238.05708	6.9
244.06831	3.6
245.05031	100.0
257.05139	3.4
263.06094	20.0
268.06693	4.2
268.12881	2.4
275.06265	9.1
286.07721	23.1
305.07016	11.2
316.08929	4.3
335.08398	4.1
365.09253	3.5
426.37277	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45193	32.7
55.32287	29.7
55.70757	31.5
55.81551	30.6
58.76281	34.2
63.59037	30.4
64.63176	34.5
79.61333	44.4
84.26751	43.0
96.22952	37.7
103.56338	35.4
108.56799	40.1
138.69623	39.8
139.50543	40.1
142.46680	38.4
156.79247	37.0
159.11778	43.4
164.49963	38.3
182.66924	39.3
195.79155	44.2
204.48375	49.6
250.20544	41.3
352.72540	42.2
425.13513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03407	0.7
65.03907	0.9
69.13647	0.8
70.06576	0.8
72.04498	1.6
74.86325	0.8
75.55495	0.7
88.02186	1.2
91.05460	10.0
92.94714	0.8
95.04964	1.0
96.94629	0.7
102.03738	1.3
119.04929	24.5
121.86954	0.9
132.04774	1.5
140.81030	0.9
142.08633	1.2
147.04396	100.0
149.07420	8.1
151.68068	1.0
207.50458	1.0
218.08092	11.2
223.37660	0.9
261.12674	5.7
295.11044	10.6
407.16299	6.4
414.97205	1.0
428.87210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1745
Annotation	Cloprostenol
Peak:m/z	Relative Intensity
52.89479	1.3
55.01863	2.1
74.09686	1.0
91.05486	5.7
93.07048	3.1
95.04922	1.3
103.05475	2.8
105.07033	1.4
107.04945	3.8
119.04894	1.2
121.06500	20.5
121.07327	1.9
129.07033	1.1
131.90442	1.0
141.06973	1.4
148.51976	1.0
153.07007	4.4
155.08557	3.5
162.09091	1.2
165.06972	20.5
167.08542	3.9
168.05646	1.1
169.06573	1.9
177.07034	1.5
178.30432	1.1
181.06496	2.0
182.07225	1.8
183.08061	12.3
191.63216	1.0
193.06444	2.3
194.07228	2.3
195.08037	14.4
197.05901	4.7
199.07571	1.3
211.05823	1.3
211.07521	85.1
212.08298	100.0
213.09123	7.1
225.09122	1.4
239.10631	2.3
246.43042	1.1
299.10486	1.9
299.99438	1.2
313.12335	1.5
317.11630	5.0
326.43643	1.1
331.13306	3.3
425.17383	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	425.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.3
55.05497	4.5
55.43695	3.1
58.68365	3.2
64.05371	3.2
75.89372	3.4
84.42188	4.1
86.09696	7.8
87.82372	4.0
91.05453	8.1
93.07030	11.8
103.05487	6.7
104.10735	25.9
105.11098	3.7
106.81402	4.1
107.04950	10.3
111.03796	3.9
121.06486	40.3
124.99998	4.7
134.27066	4.8
155.08641	7.8
157.06490	6.2
165.06993	46.0
183.08067	20.5
193.06424	7.8
194.07265	7.9
195.07991	10.6
211.07542	100.0
212.08302	53.3
212.09843	5.1
213.09126	10.6
225.09233	5.8
230.93176	4.8
239.10771	6.7
252.15062	4.3
260.13318	4.4
311.25610	5.0
313.12250	4.9
317.11862	7.4
424.31863	5.1
425.17157	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	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	6.8
60.69215	3.4
64.98505	3.2
69.18373	3.8
70.06573	12.2
74.02748	2.9
74.06068	28.5
79.58800	3.2
83.93400	3.7
84.04497	6.1
85.06520	4.4
87.43070	3.9
93.63129	3.4
102.05634	3.2
110.07167	4.9
116.20181	3.9
120.06688	6.9
120.08098	100.0
122.37804	3.8
137.06013	4.0
177.10196	5.3
183.54359	3.9
185.09238	6.2
191.34045	3.8
202.76231	4.1
203.10387	6.6
205.09651	4.7
213.08727	4.3
221.11353	5.5
228.21082	3.8
249.12044	5.2
295.28064	4.5
306.14542	5.9
344.26932	4.8
375.05225	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	425.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01226	3.4
60.08124	3.1
80.09893	3.5
86.06040	6.0
91.05493	6.2
91.71017	4.2
94.55207	3.7
95.08648	3.4
95.58630	3.5
105.56628	4.4
107.04952	4.6
109.83878	3.6
121.06483	10.1
175.08556	4.0
198.06610	3.9
211.07405	7.7
213.09108	10.1
239.10675	4.8
406.18341	4.3
425.22897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83369	5.7
53.89107	6.0
55.05494	21.0
57.03407	5.9
57.07059	15.3
57.48528	5.8
63.79912	5.8
66.80397	6.3
67.05489	22.4
69.07056	30.5
71.08634	8.0
75.76344	6.3
79.05481	10.1
81.07045	40.3
83.08604	17.5
93.07040	23.6
95.08599	30.4
95.14973	7.1
97.06544	9.7
107.08590	26.4
109.06544	11.5
109.10168	21.8
115.12047	6.4
121.10117	17.1
123.08077	30.6
145.10069	9.1
167.14304	12.0
179.14352	29.0
277.21680	12.3
333.27859	81.2
351.28784	17.5
358.59073	8.6
366.54901	7.9
425.32498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
56.51288	0.6
57.03424	1.7
61.02913	2.2
69.03422	7.3
70.06570	2.5
70.67857	0.7
71.04985	1.5
72.08151	0.7
73.02892	1.1
79.05499	1.1
81.03391	3.5
81.07040	5.9
84.08105	0.8
85.02898	31.1
86.09686	0.7
91.03944	1.2
91.05476	9.6
97.02885	6.5
99.04459	1.5
99.61389	0.7
103.03929	1.4
107.04967	1.0
109.02872	2.6
109.06525	6.2
119.04937	6.1
123.04429	3.2
127.03914	3.9
137.05977	100.0
138.06279	1.2
145.04950	3.5
159.44347	0.7
178.08511	0.8
180.08636	2.9
191.80402	0.7
219.37242	0.8
229.49104	0.7
240.98682	0.8
247.07205	1.6
247.09656	25.9
264.12250	2.0
426.17920	0.8
436.92981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2119
Annotation	Isariotin B
Peak:m/z	Relative Intensity
52.86043	3.0
53.52517	3.0
55.01875	3.5
56.05014	10.2
67.05499	6.6
69.07022	5.3
78.68644	3.4
78.81546	3.2
79.05476	7.5
81.07040	4.9
83.04955	3.2
84.04493	100.0
91.05507	12.5
93.07043	9.9
95.04968	7.2
95.08584	3.5
97.02964	4.0
102.05539	48.8
103.05464	4.4
105.07047	11.0
107.08593	6.2
115.05505	4.5
117.07053	5.9
119.08533	6.6
129.07043	6.6
130.04984	32.0
131.08577	15.1
131.64517	3.2
135.04439	14.0
135.08005	5.1
145.06497	8.2
145.10149	4.3
147.08014	5.1
148.06042	36.6
149.06000	5.6
149.09644	8.6
151.07506	4.7
155.08611	8.2
159.08029	8.5
163.07556	10.8
169.10149	3.9
173.09596	6.0
175.07529	6.9
177.09152	10.5
183.11646	5.5
187.07501	4.6
193.08606	8.9
197.13268	6.4
201.12749	8.6
205.08688	4.2
215.14403	10.2
225.12560	4.2
243.13808	19.5
261.14801	27.8
279.15842	6.5
344.18677	9.2
360.40970	4.2
362.19641	12.4
390.19250	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	427.117
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79636	0.7
72.72517	0.8
74.39252	0.9
84.04509	2.9
89.03898	10.3
93.06995	1.2
97.10176	1.1
101.30841	0.8
117.03361	22.8
129.04422	1.1
135.04460	1.0
145.02829	39.1
149.05977	7.0
158.06018	3.8
177.05449	100.0
186.05476	16.7
188.03751	1.1
203.12773	2.6
221.34169	1.1
233.05841	1.6
251.06996	1.6
292.45203	1.1
349.58032	1.0
395.63055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.1
57.02873	2.7
57.07058	15.6
58.93899	3.3
67.05504	7.8
69.03460	3.1
69.07053	12.6
70.06577	9.3
71.08613	20.3
79.05477	4.2
81.07033	9.3
86.66014	3.6
91.05450	5.3
93.07029	8.6
95.08577	5.8
97.06520	4.9
97.10161	9.5
103.05450	3.4
106.33255	3.2
107.04894	3.6
115.05424	4.1
121.10145	16.0
131.04929	9.5
137.05957	8.6
139.11179	15.9
145.06499	3.8
148.07608	9.1
149.06007	8.6
158.06059	3.6
162.05489	35.8
164.07056	100.0
176.07111	12.0
178.08562	5.6
185.11690	6.9
185.87952	3.3
190.04953	14.3
193.91003	3.3
194.08093	77.1
203.12755	46.2
204.06572	15.2
234.07562	6.5
246.07547	5.0
278.10199	8.0
299.13010	4.5
345.13333	4.3
365.11212	27.7
391.12811	5.1
409.14120	10.2
427.15210	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05280	0.2
50.05599	0.2
51.13786	0.2
57.04536	0.6
57.07048	0.2
69.07064	0.2
71.08587	0.2
81.88883	0.2
94.04045	1.7
96.05582	0.3
97.10122	0.3
102.61391	0.2
106.65588	0.2
108.57465	0.2
112.05098	0.3
119.03588	0.2
123.06672	1.0
133.05067	0.4
139.11201	0.3
148.06198	0.3
150.07738	100.0
151.08054	0.6
178.94261	0.2
203.12781	0.9
208.13538	0.2
225.41454	0.2
282.12009	0.5
295.11465	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	427.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.8
57.05814	1.3
57.07077	5.3
58.87551	1.4
69.07079	5.7
70.06583	70.2
71.08642	5.3
72.08146	100.0
73.94946	1.3
79.52539	1.2
81.07080	4.6
83.04993	1.3
88.04013	6.4
91.11399	1.2
93.07059	2.4
95.08626	2.4
97.06519	1.8
97.10188	1.6
102.55876	1.3
107.04990	1.2
107.08561	1.7
116.06404	1.9
116.07085	8.5
121.10201	6.1
125.07127	11.2
136.06235	4.4
139.11238	6.3
167.08231	2.3
168.06430	1.4
169.13441	2.7
171.07687	3.5
185.09196	14.6
185.11826	2.3
194.74713	1.7
196.06030	9.9
203.12773	16.5
212.17148	1.5
213.08646	15.5
215.14043	4.4
223.14507	2.4
284.16141	1.9
311.41113	1.7
312.15515	21.1
427.22141	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	427.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54620	2.1
55.01855	5.8
55.05494	4.8
56.96551	8.5
57.07071	6.8
67.05489	9.4
69.07065	7.9
71.08623	9.8
79.05493	6.8
81.07051	7.8
83.04963	3.7
84.04496	59.9
91.05466	15.1
93.07040	14.8
95.08592	4.3
97.10168	4.1
102.05534	28.7
105.07030	24.2
107.04917	3.7
107.08573	5.6
117.07010	8.8
119.08573	42.1
121.06551	4.0
121.10137	9.4
129.07004	11.7
130.05000	29.8
131.08568	9.5
133.10159	12.5
139.11157	9.6
142.58723	3.2
143.08636	7.2
147.08055	15.8
147.11731	4.9
148.06056	30.9
149.09627	4.9
157.10161	7.2
159.08022	4.8
161.09602	29.8
163.11189	4.5
166.87440	2.9
176.62440	3.2
182.04865	3.2
185.09648	3.4
185.13307	7.3
189.09044	4.2
199.14827	5.4
203.12607	21.4
203.14470	15.2
209.13075	3.7
217.15839	6.0
220.42603	3.3
227.14317	7.7
245.15413	21.5
270.08017	4.6
282.08038	9.9
293.09705	4.3
300.09061	12.8
305.09537	14.4
306.09833	3.9
311.10751	4.0
323.10785	21.4
324.11200	3.4
324.16754	3.2
341.11630	6.9
346.12341	10.1
346.20047	4.9
364.13416	11.2
367.09473	6.9
374.19604	16.2
392.20651	100.0
408.12292	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	427.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31962	9.8
55.05527	11.8
57.07066	23.7
61.43677	10.6
69.07048	18.9
71.08627	13.1
76.71453	11.7
81.07050	23.8
91.71059	18.4
95.08585	18.5
95.35896	12.0
95.68011	12.2
203.12746	37.3
259.34329	13.0
301.42987	17.8
353.85251	14.5
373.45355	14.2
427.24402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20073	31.8
57.03439	30.7
57.07054	62.3
57.45300	29.4
60.44647	36.4
69.07062	75.3
71.08617	58.5
76.82112	39.5
81.07058	89.4
88.07640	31.3
88.09423	35.3
93.06996	40.1
95.08570	47.9
118.82534	45.6
203.12872	100.0
219.51015	40.2
236.89706	50.6
301.13983	51.8
427.24570	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	9.1
67.05492	3.0
69.07069	10.5
71.08635	6.4
81.05022	3.8
81.07056	6.1
88.62592	3.5
95.08612	5.9
109.10178	4.4
121.10185	5.4
121.77821	3.5
139.11221	8.5
167.10498	9.8
203.12842	13.2
224.03682	3.3
242.57890	4.3
272.35504	3.5
274.05936	4.0
301.14212	4.7
315.12067	7.8
427.24539	100.0
427.30020	5.9
429.29413	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	427.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88088	3.7
55.05498	7.3
56.62064	4.4
57.07060	16.2
58.34739	3.8
61.96448	4.5
62.63368	4.5
67.05509	5.4
69.07045	16.3
71.08612	16.2
79.05470	4.7
81.07039	6.3
83.36355	4.8
93.07053	4.8
95.08585	8.4
101.84329	4.4
115.09572	6.3
121.10145	20.9
130.12318	5.9
137.76787	5.0
139.11180	16.5
185.11601	8.9
185.84540	5.3
203.12790	36.4
308.24469	5.7
353.26654	5.0
367.24478	6.3
427.26730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06802	6.0
57.07067	100.0
69.07049	12.2
71.08604	3.7
73.37493	3.5
79.05462	5.0
81.07037	5.3
86.06064	25.5
87.04469	7.0
87.61954	3.3
89.06026	71.2
91.05477	8.5
91.07607	4.1
93.07029	20.0
95.04946	10.7
97.06515	4.2
97.10151	6.2
99.04967	3.2
103.05473	5.1
119.08553	4.3
121.06500	75.0
121.07314	5.6
121.10175	6.1
127.70277	3.8
130.08676	15.8
133.08577	44.8
135.08086	3.9
139.11179	8.6
147.08034	10.6
150.06717	4.8
161.04442	3.7
162.09219	4.8
165.09155	30.8
181.71259	4.1
203.12747	17.0
209.11806	13.1
224.33603	4.2
227.12762	4.3
229.87343	4.6
233.18959	17.9
277.21667	11.6
285.45551	3.9
315.17975	34.8
427.39133	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	427.3206
Annotation	CHEBI:70578
Peak:m/z	Relative Intensity
55.05499	14.0
57.07057	23.3
57.20180	7.5
68.45451	8.4
69.07066	25.3
71.08613	21.3
79.05479	9.1
81.07047	21.1
83.04932	10.0
83.08606	18.7
86.98505	10.4
89.72408	10.8
93.07034	19.5
95.08585	21.2
97.10152	22.1
99.21734	10.7
99.38357	9.9
107.08572	11.2
109.06512	12.4
121.10101	15.6
126.73203	11.2
135.08037	14.1
185.11595	11.7
198.23241	9.9
203.12813	39.6
222.25450	10.2
259.16943	18.5
273.14932	14.4
352.92725	10.5
427.32098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59969	11.1
51.84101	11.7
52.20557	13.9
55.05496	59.9
57.07073	35.1
60.27384	11.9
68.34498	11.8
69.07049	51.5
72.52859	13.8
81.07033	26.7
83.08611	100.0
97.10115	19.2
121.10128	20.8
138.38031	13.7
139.11220	17.9
151.31053	16.1
203.12837	17.3
208.62036	15.0
365.90012	18.0
427.35580	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72899	1.6
55.01857	1.8
55.05503	16.1
57.06851	1.4
57.07067	19.5
58.06580	1.7
60.07912	2.0
60.08162	30.2
64.58565	1.6
67.05484	8.0
69.06734	2.8
69.07063	31.9
71.08624	15.8
72.04504	3.8
72.08138	3.5
79.05471	4.2
81.06625	2.2
81.07039	15.1
83.04962	3.8
83.08612	19.8
85.10146	4.2
86.06068	3.4
86.09669	2.7
86.55289	1.6
87.04461	48.0
93.07043	11.5
95.08605	14.3
97.06516	5.6
97.10155	15.6
100.07590	4.7
105.06966	2.3
107.08585	7.9
109.10159	5.7
111.08057	2.8
111.11698	5.9
114.09148	4.5
121.06516	2.4
121.10115	12.8
125.09633	2.7
128.10744	4.3
135.11681	5.9
139.11177	7.9
146.11755	31.4
149.13210	2.8
151.14827	1.9
177.16341	2.4
177.61768	2.1
187.92795	1.9
203.12770	19.3
213.37634	2.0
232.02525	2.0
247.24107	3.2
282.27927	20.5
291.53854	2.0
427.38925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.0
57.07068	25.6
60.08158	30.3
67.03378	4.8
67.05499	10.3
67.85629	4.4
69.07063	35.2
71.08617	18.0
76.85904	5.1
79.05446	8.5
81.07039	17.6
83.08618	22.2
86.06057	13.1
87.04451	44.1
93.07043	9.4
95.08593	13.3
97.06522	9.9
97.10137	24.7
107.08638	9.0
109.10125	5.4
111.11737	7.4
116.50983	5.3
121.10130	13.2
135.11674	8.6
139.11232	13.6
146.11749	34.3
155.92593	5.3
178.10123	6.0
181.43680	5.1
184.07169	6.7
203.12714	33.4
203.50595	5.3
210.19052	5.3
240.26996	6.7
249.07204	5.8
282.27948	21.1
329.42807	5.6
427.38965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
56.93361	0.8
57.07062	2.4
64.37535	0.8
69.07047	1.3
70.06586	8.8
70.18081	0.9
71.08622	3.1
71.57281	1.0
72.08145	4.4
75.00060	1.0
76.92954	1.0
79.05488	4.5
81.07062	2.4
83.04971	1.0
84.08147	1.5
86.09717	1.4
92.79812	1.0
93.07021	1.4
95.04959	1.8
97.06520	1.0
106.06548	8.3
106.07207	1.3
107.04946	51.1
109.02880	3.1
116.07147	1.1
121.10142	3.0
134.06017	9.5
135.04408	25.4
136.06192	1.4
139.11185	3.4
148.07538	1.7
152.07059	100.0
153.07460	0.9
183.06450	1.8
203.12752	8.5
204.13120	2.0
241.08603	5.3
259.09695	2.1
277.10797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55987	4.7
55.01861	6.4
55.05487	7.1
57.07071	31.7
60.34845	4.6
67.05502	8.8
67.68878	5.2
69.07051	21.4
70.06576	25.2
71.08629	21.0
72.08155	8.2
78.46074	4.9
81.07043	19.4
83.04987	5.7
84.08115	8.5
86.09705	12.8
91.05473	88.5
93.07047	12.2
93.59090	6.0
95.04931	8.5
97.06553	9.3
99.04472	6.9
100.07631	9.0
107.04955	15.3
119.04901	13.3
121.10123	11.5
123.04389	12.0
129.07033	8.1
137.05980	17.6
139.11221	23.4
147.04440	21.0
150.07768	10.2
165.05484	8.0
167.05789	22.3
183.06549	14.1
203.12813	58.7
204.13112	14.3
213.05550	8.7
221.57013	6.4
226.06154	63.1
226.07938	6.0
237.09111	8.0
241.08588	100.0
259.09564	40.9
375.12128	37.2
384.19427	8.9
392.14859	15.1
393.13455	15.6
410.15887	18.1
428.16983	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97395	2.6
57.07061	7.7
62.02278	3.1
67.05502	7.9
69.07052	7.3
71.08607	7.4
76.70300	2.6
79.05492	4.1
81.07039	4.3
84.57885	3.0
89.58138	3.0
91.05480	23.1
93.07035	11.2
105.07014	7.1
107.04925	5.5
107.08601	7.9
114.45965	3.3
119.04981	17.8
119.08571	5.9
119.22228	3.5
121.06465	4.0
121.10107	11.6
123.04398	16.0
131.08575	8.5
135.52875	3.2
136.07581	100.0
139.11174	4.2
145.10081	5.1
145.12552	4.1
147.04428	9.0
149.09657	8.5
149.23621	3.3
165.05455	24.9
182.08086	24.9
198.16374	3.4
203.12805	20.8
221.81395	3.9
223.82372	3.5
303.25662	3.4
365.14804	4.0
382.23709	22.0
386.18393	4.0
389.52222	4.2
428.24231	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
56.96556	2.0
57.07064	1.6
58.16928	1.3
69.03402	6.0
70.06590	7.8
72.08152	2.5
73.02920	1.4
81.03401	2.5
84.04507	2.7
85.02902	14.3
86.03256	2.0
86.09679	4.3
87.04474	2.2
97.02876	6.6
98.97588	1.4
123.04428	2.5
127.03910	3.9
137.05968	7.7
138.06288	2.9
139.06395	1.5
140.00192	1.8
170.01202	2.0
196.91304	1.6
197.01170	2.1
202.16817	1.5
243.04372	2.3
251.87315	1.8
267.06253	3.1
326.07031	2.3
352.99387	2.0
429.11569	100.0
430.12375	2.3
449.10318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88984	1.5
70.06584	4.1
74.29655	1.8
86.09715	6.0
148.15584	1.9
148.64212	2.3
171.56859	2.1
186.25763	1.9
217.20496	2.5
218.14442	2.0
225.43329	2.2
227.24287	2.1
292.13263	2.6
367.17194	5.7
429.17279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33142	3.5
63.59996	3.4
63.65337	3.5
64.80747	4.1
70.05266	3.7
129.06062	4.4
132.23399	5.2
197.57745	4.3
429.31879	100.0
450.90884	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3364
Annotation	CHEBI:70533
Peak:m/z	Relative Intensity
51.67340	14.2
54.52321	14.5
55.05507	33.5
57.07070	40.6
64.50047	15.0
65.75921	14.3
67.83389	15.9
69.07056	35.7
71.08625	57.0
81.07058	44.0
83.08595	23.1
85.10152	22.2
91.05473	17.9
93.07030	38.0
95.08598	39.8
105.07018	24.6
107.08588	54.3
109.10175	26.9
121.06502	31.9
131.08626	23.9
145.10152	48.8
157.10167	24.7
159.08165	28.5
193.75156	19.3
201.12697	33.5
261.14954	43.7
285.18570	21.2
298.45041	19.6
397.68259	19.5
411.32840	40.8
429.32834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	100.0
64.50368	11.0
65.81940	11.8
67.05467	10.2
69.07054	11.4
71.08632	83.7
72.04502	30.0
78.03786	23.6
81.07059	14.9
82.33445	12.9
83.08677	14.2
85.07150	12.2
85.10177	46.5
85.46305	10.8
88.50035	13.2
95.08590	15.7
96.81172	11.7
97.10199	17.0
102.03745	34.4
104.24936	12.0
114.03783	20.9
115.59274	10.9
119.96604	12.6
132.04788	29.7
133.76212	11.6
149.07422	78.4
149.55803	14.1
233.86308	12.7
255.40320	14.0
352.32169	83.8
355.45474	13.7
429.35013	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	429.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.8
57.07056	3.5
60.04486	1.5
60.08159	20.8
67.05498	2.7
68.05011	1.0
69.07060	12.7
70.06585	89.1
71.04615	1.9
71.04985	32.8
71.08618	1.8
72.08146	2.4
74.02435	15.1
78.30336	1.1
79.05459	1.4
81.07039	2.6
83.08619	7.9
88.07621	7.6
91.71704	1.1
91.78684	1.1
93.07078	1.7
93.79959	1.1
95.08627	3.0
95.88831	1.0
97.10175	5.6
98.06052	3.0
107.08569	1.6
112.07594	9.3
114.05527	3.4
116.07089	62.6
121.10128	2.8
127.86167	1.1
135.11671	2.7
158.08133	15.3
304.58328	1.2
352.28436	4.7
370.29483	13.5
429.36844	100.0
430.37238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
57.07092	14.3
67.00023	11.6
71.08652	17.5
71.87505	13.7
76.93350	11.7
91.70997	32.4
95.87134	12.1
129.14262	13.3
134.41623	16.8
152.67857	13.8
163.11165	18.9
165.09105	100.0
185.20287	14.8
337.15482	16.4
429.31842	18.1
429.37329	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49594	0.4
53.94882	0.4
58.06586	0.9
60.08157	25.6
71.04983	35.9
118.55459	0.4
130.12274	100.0
131.12604	1.1
146.28374	0.4
188.39542	0.4
209.30560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2006
Annotation	7-Benzylidenenaltrexone
Peak:m/z	Relative Intensity
50.38275	1.3
52.39542	1.6
55.01867	2.5
57.07048	1.7
67.05472	2.4
69.07046	1.9
72.04506	2.7
74.57581	1.5
84.04508	2.1
86.06060	74.7
95.04952	1.7
98.06041	23.3
113.06058	1.5
115.08708	13.0
118.03259	6.5
124.07587	2.2
130.03227	1.8
139.02141	7.1
142.08665	6.9
149.00581	4.7
151.06305	4.2
155.01601	40.2
167.01625	28.7
167.05313	2.8
183.04741	2.2
184.04306	2.5
184.09761	2.1
194.06422	1.9
195.04739	35.5
195.06470	2.9
195.14511	1.6
196.04324	13.7
198.05815	2.0
212.07378	24.1
266.08444	5.5
283.11108	23.9
300.13739	100.0
301.14063	2.9
310.12158	2.7
365.46249	2.2
412.19153	12.5
430.20007	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	430.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44824	3.0
55.01857	7.2
59.20808	2.5
63.13602	3.1
65.47591	2.8
70.06582	8.4
73.37028	2.9
79.39801	3.1
86.06055	100.0
86.09682	3.3
98.06045	77.4
115.08688	84.8
115.09446	6.2
125.07119	6.7
149.07478	8.6
170.17593	3.9
191.97264	3.3
213.09390	3.6
227.13924	13.3
283.10959	6.7
300.13751	36.5
430.20068	17.8
443.31970	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	430.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	23.3
55.75343	16.5
56.17356	20.3
56.61438	19.2
66.35985	20.5
67.05499	42.6
69.07068	23.8
79.05490	57.0
80.75206	26.6
81.07040	82.6
86.09683	59.7
87.02982	22.4
91.05464	54.5
93.07029	36.2
95.08577	63.5
105.07034	32.2
119.08562	36.8
122.02722	83.9
123.11736	33.3
157.10129	25.6
189.12776	28.0
204.29657	28.0
205.19582	36.7
245.19032	50.8
247.20488	40.4
249.18597	34.2
255.06566	100.0
263.90674	30.0
273.18530	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.247
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37791	3.8
77.00584	8.4
79.47443	4.0
89.06022	9.3
95.01650	40.9
102.03786	4.6
110.00517	3.8
114.07388	7.4
118.03213	61.5
121.03158	4.4
129.33606	4.9
144.04776	6.1
145.06807	15.4
147.04721	19.6
165.05861	6.2
188.07494	5.8
191.07359	9.9
210.58263	5.6
233.12009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0973
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
57.18873	0.7
67.01852	1.1
81.07052	0.7
99.46350	0.8
103.05443	1.0
125.81699	0.7
129.03345	1.1
147.04320	0.8
153.01849	4.3
157.47359	0.8
159.07002	0.8
171.02904	1.0
222.96947	0.8
255.06491	100.0
256.06979	2.0
417.25275	0.9
431.09726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1314
Annotation	Ononin
Peak:m/z	Relative Intensity
56.21804	2.3
56.88347	1.9
60.74703	1.8
63.65311	2.0
67.02566	2.1
70.06566	9.7
72.08151	12.2
84.04484	5.0
84.08123	7.3
86.09700	22.0
101.31097	2.2
129.10185	4.4
188.37512	2.6
244.43915	2.7
431.13004	100.0
450.40811	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	431.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88383	3.7
53.88981	3.9
69.78727	4.3
70.06577	8.9
72.08150	9.0
86.09686	12.3
115.54694	4.6
139.36623	5.3
147.63762	5.8
285.12857	7.5
313.16211	24.5
431.01773	5.5
431.22504	100.0
434.41122	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2402
Annotation	Phe Lys His
Peak:m/z	Relative Intensity
73.84155	3.0
88.28785	2.9
91.71008	3.3
109.56012	2.9
109.97223	3.1
115.83250	2.9
133.06496	5.1
169.52654	3.4
431.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2403
Annotation	His Phe Lys
Peak:m/z	Relative Intensity
52.89037	1.8
54.47138	1.9
56.96553	2.4
75.85372	2.1
78.48276	2.3
80.84889	2.3
129.40344	2.4
141.28514	2.5
208.47063	3.1
253.99197	3.0
285.67102	2.7
322.05688	2.6
403.52078	3.5
431.24011	100.0
432.25192	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2405
Annotation	His Phe Lys
Peak:m/z	Relative Intensity
53.51010	3.2
55.46863	3.0
57.64362	3.0
76.83340	3.8
79.05482	3.4
83.14965	3.6
88.68565	3.3
144.91730	3.8
230.48434	4.2
431.23981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	30.8
72.08155	13.0
74.41818	3.6
75.43064	3.8
84.04507	9.4
86.09693	100.0
86.10189	5.7
92.45295	3.8
120.08126	6.7
130.51071	4.3
183.11491	5.0
201.12445	9.8
426.99884	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	431.3156
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
54.60035	3.1
55.05493	5.8
56.96558	3.9
61.73317	3.8
67.05499	8.2
69.07062	16.8
79.05460	5.5
81.07054	13.8
91.05452	6.1
93.07037	12.1
95.08589	20.8
97.06525	6.2
105.07005	8.7
107.08608	10.1
109.10149	5.7
111.08029	4.7
118.29015	4.1
119.04961	5.5
119.08553	7.4
121.10142	7.9
123.08102	4.8
133.06494	6.3
151.07513	21.9
169.08517	7.1
197.74388	4.2
207.10226	5.4
209.11586	6.0
245.52684	5.3
263.16425	18.8
319.02802	5.2
413.30469	7.6
431.31467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66031	11.4
55.69912	12.0
56.20221	11.8
56.96564	20.5
57.51799	10.9
58.24387	10.2
61.04997	11.1
61.56545	11.7
62.24115	11.6
63.73776	11.1
67.78729	10.4
69.07076	14.8
70.06595	37.1
72.08162	63.4
74.66958	12.1
84.08142	19.0
86.09700	100.0
91.39139	12.2
101.94606	11.9
118.47345	13.2
136.06174	22.6
138.73013	12.8
148.64313	14.0
249.05719	18.8
252.16225	15.3
414.09879	43.9
432.10803	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50393	4.9
56.96551	24.5
63.19120	5.4
75.88557	4.8
85.65370	5.6
113.61552	5.9
142.01793	8.4
160.02814	15.5
183.04407	11.0
234.54817	8.2
246.62575	7.5
252.06763	15.3
270.48935	7.1
275.08252	11.1
281.74042	9.4
302.14151	10.3
303.12717	21.9
320.15262	14.6
321.13712	74.5
343.16669	7.3
344.15329	100.0
370.16891	41.3
386.16428	20.7
388.17776	35.0
411.19165	32.2
414.15878	22.0
432.17380	89.4
455.18616	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	432.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03429	2.2
69.03418	4.0
73.02911	1.8
77.96468	0.9
85.02901	14.8
90.05547	100.0
91.05946	1.3
94.07108	1.1
97.02888	5.7
101.02363	1.8
102.24362	1.0
116.60400	1.0
127.03905	12.0
137.06015	5.6
145.04956	7.0
154.08626	1.2
163.06056	1.8
169.45215	1.3
237.68320	1.4
260.07785	1.1
334.89810	1.2
386.97516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72348	0.4
65.03932	1.1
67.51134	0.5
67.51550	0.4
70.06580	1.6
72.08138	1.3
74.65339	0.6
81.07030	0.6
84.04514	1.2
84.08140	1.4
86.09715	0.9
90.05565	2.9
91.05468	15.6
94.03421	0.6
109.06526	1.3
119.04932	8.6
127.03875	0.5
129.10239	0.9
136.74660	0.6
137.05977	100.0
138.06325	1.1
154.08626	33.6
160.07571	0.9
161.05931	2.0
182.08067	0.6
220.09644	1.2
237.12268	1.8
238.10640	3.7
289.13211	0.9
413.51883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1991
Annotation	3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine
Peak:m/z	Relative Intensity
50.33811	1.9
52.83834	2.0
110.91669	2.6
113.41166	2.5
120.92561	2.5
126.51889	2.6
128.11449	2.4
197.30222	2.9
285.14807	5.1
303.15707	7.0
313.85394	3.4
335.28848	2.9
364.33762	3.5
414.19022	6.2
432.19882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.199
Annotation	3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine
Peak:m/z	Relative Intensity
51.87313	5.4
58.55586	7.4
60.08400	8.2
64.31215	5.7
70.06574	9.8
86.80959	8.6
91.71461	24.4
130.12280	13.0
140.52036	8.3
164.07120	8.5
242.38031	8.0
290.13837	14.7
322.70364	8.6
334.53360	8.7
341.35681	10.3
414.18970	32.2
427.11496	9.7
432.19803	100.0
452.56870	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	432.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53979	13.0
54.47517	11.3
55.11595	13.8
59.18065	13.7
60.31367	13.4
70.22822	14.1
71.32008	12.8
88.37112	15.1
91.33551	14.2
105.07018	100.0
120.08252	14.3
121.06509	19.6
150.44695	15.3
161.77451	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	432.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78859	2.9
69.03418	7.7
72.63783	3.6
80.70374	3.0
83.04994	6.9
84.08157	3.7
85.49082	3.4
91.05471	7.5
105.06979	3.6
106.11462	3.4
107.08597	34.6
119.08576	100.0
135.08057	30.8
155.46503	3.5
179.17538	4.5
247.94235	4.0
349.17007	6.2
372.18320	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	432.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	7.5
71.05006	2.0
72.08150	2.0
78.42072	1.9
84.04503	2.7
86.09695	11.3
87.04441	6.1
89.06023	100.0
98.60229	1.8
113.38805	1.9
118.85272	1.7
118.99526	1.7
130.08633	22.7
131.07079	1.9
133.08603	68.0
177.11220	22.8
196.98593	1.9
201.12437	2.4
210.82349	2.1
221.13829	2.1
229.11644	1.9
233.10822	1.8
233.13258	1.9
415.25485	23.1
457.93759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56384	5.1
57.27463	6.2
67.61989	5.7
70.06577	8.6
72.08141	6.2
86.09692	16.0
101.90794	6.0
136.06200	15.6
158.56870	6.1
217.43004	7.7
247.90913	7.4
337.10818	7.5
337.34320	7.9
371.16718	12.7
433.16794	100.0
434.17139	8.6
450.92661	8.0
455.74438	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05489	14.3
57.03420	16.7
67.05500	98.3
69.07048	16.9
71.49387	10.3
75.47712	11.1
79.05468	27.6
81.07047	88.8
83.08623	12.7
84.08109	15.0
91.05489	27.3
91.71661	23.7
93.07046	59.7
95.08601	65.2
98.98454	100.0
105.07012	28.1
107.08595	43.2
109.10160	39.3
119.08600	32.1
121.10142	35.8
131.08566	21.4
133.10100	13.8
135.11699	22.3
145.10135	12.8
149.13280	19.7
155.01051	12.2
159.11777	12.5
173.02144	16.0
243.21181	25.3
261.22162	59.2
317.24725	15.6
335.25751	98.5
369.64862	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	433.241
Annotation	Buclizine
Peak:m/z	Relative Intensity
69.07000	1.2
69.95781	1.3
70.06576	4.5
72.08132	1.4
72.40388	1.7
80.67464	1.4
85.43252	1.7
93.47321	1.4
104.28368	1.6
106.27241	1.4
150.07217	1.8
162.40591	1.6
176.20399	1.8
244.76421	1.7
273.05246	1.7
374.85953	1.7
405.45288	1.7
433.24066	100.0
434.24426	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04160	2.0
58.38500	2.0
105.07002	2.5
148.27950	2.4
212.09267	2.9
241.33104	2.6
264.71350	2.6
275.83328	2.5
433.25519	100.0
434.25797	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.8
59.04987	52.6
64.13879	12.2
67.05499	16.9
72.37872	13.2
77.30990	13.6
81.07063	13.3
81.33642	14.8
85.06541	100.0
91.05458	42.6
93.07040	21.9
105.07040	31.8
107.08583	23.2
107.76694	14.5
109.53184	14.5
117.07007	27.2
119.08564	67.0
121.10136	22.7
123.08232	13.7
124.74998	14.5
125.83994	14.1
143.08551	24.5
145.10179	21.5
171.11790	21.1
185.13249	17.3
192.44826	15.8
202.42010	15.3
222.96053	17.4
276.27637	17.1
298.40051	16.5
302.72171	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	34.8
59.04988	82.8
62.88763	9.7
67.05470	17.8
70.47365	11.7
73.05055	12.5
79.05502	18.3
81.07046	25.9
85.06534	100.0
91.05448	57.0
93.07047	41.0
95.04962	11.4
95.08625	37.5
97.54565	10.8
105.07012	44.6
107.08624	30.8
109.06506	13.6
109.10150	20.4
117.07011	15.7
119.08548	72.2
121.10126	13.7
125.09628	26.7
129.06937	18.1
131.08603	36.8
133.10146	39.2
135.11703	18.6
137.09578	20.8
142.77228	15.3
142.78351	11.6
143.99710	12.5
145.10115	31.3
151.11168	28.2
155.08566	22.4
155.10883	12.3
157.10118	28.7
159.11699	19.4
163.11159	13.1
169.10039	15.7
171.11691	14.5
183.11671	19.1
183.72350	11.2
192.09415	13.2
196.09813	12.3
255.05110	13.4
283.75357	13.9
306.14209	12.5
307.07782	14.0
343.71686	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	434.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03107	1.3
55.05505	5.4
55.42880	1.3
56.05009	2.1
57.03415	5.8
57.07056	2.4
57.27532	1.2
58.99343	1.4
58.99579	13.4
61.01141	1.9
62.99060	2.3
67.05174	1.7
67.05497	19.8
69.07051	3.6
71.04958	1.9
71.08619	14.8
76.02219	83.4
76.03999	1.9
76.30628	1.2
77.00642	2.3
78.20588	1.6
79.05483	2.4
81.07049	3.4
83.06079	3.0
83.08638	2.4
84.04496	23.0
86.99081	1.9
87.02711	1.7
88.02193	2.8
89.00612	13.2
93.91705	1.7
97.10172	6.1
99.02637	1.4
99.08081	13.6
107.08583	4.4
109.10162	14.6
112.09066	1.4
112.11983	1.8
113.66760	1.5
116.01665	15.0
126.12772	3.6
127.11176	28.1
129.06589	5.3
130.05008	7.7
141.45242	1.4
142.03229	3.3
144.01132	5.6
159.08383	100.0
162.02199	22.7
167.08932	1.8
179.04846	28.5
184.11598	5.3
202.12585	16.0
233.05887	3.6
287.14191	56.8
288.12448	3.1
305.15280	5.7
359.16293	13.0
362.40967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
62.05587	1.1
67.05493	2.6
69.07048	2.8
70.06579	2.3
71.04977	1.6
73.39454	1.1
81.07046	2.4
86.09694	1.7
93.07027	1.6
95.08594	6.0
118.98429	1.1
121.06615	1.3
123.04440	2.1
130.12285	2.8
131.04915	2.2
137.06018	3.0
149.05923	7.3
152.10727	5.0
160.07610	1.3
161.05966	2.3
162.05528	3.5
163.07635	1.5
164.07072	11.1
170.11758	9.2
173.05968	4.0
175.07494	1.7
176.07098	3.4
177.07848	36.3
177.09271	2.5
178.08556	1.6
180.06580	2.7
192.06494	2.0
246.14969	1.9
274.14377	3.9
292.15399	100.0
355.67319	1.3
375.06888	1.5
434.25372	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	434.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.5
55.05499	5.7
58.06560	3.4
59.54671	4.0
67.05486	11.1
69.03442	4.3
69.07051	20.1
71.04977	5.6
79.05486	23.5
81.03412	15.2
81.07047	74.1
85.80521	4.6
88.71902	4.2
90.18275	4.0
91.05469	36.6
91.70970	4.6
93.07025	23.6
95.04966	25.2
95.05504	4.8
95.08585	9.0
97.06531	9.3
105.07009	9.5
107.04945	7.6
107.08611	12.2
117.07005	9.6
119.04951	9.4
119.08570	35.1
121.06512	7.8
129.07033	7.1
131.08598	8.2
133.06508	5.1
133.10129	5.0
135.08073	10.6
137.05975	47.8
137.09584	5.6
143.07053	10.4
143.08553	5.4
145.10092	8.8
147.04391	4.7
147.08066	24.8
147.85518	4.6
149.09610	7.2
157.10144	10.6
161.05986	6.1
165.09158	9.1
177.09137	4.7
181.10591	4.2
195.10202	12.6
199.14825	8.8
209.51756	4.8
245.15384	7.5
263.16403	100.0
291.02609	5.2
363.62451	5.6
417.22766	23.6
434.25406	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	434.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94429	3.4
55.01848	5.3
55.05502	11.2
64.42729	2.6
66.64404	3.3
67.05493	16.1
67.55956	3.1
69.03419	7.2
69.07066	26.8
70.06575	4.1
71.04982	7.9
74.74008	2.9
76.68199	2.9
79.05476	25.7
79.63529	3.1
81.03424	18.8
81.03868	3.0
81.06593	7.4
81.07047	67.0
81.07487	7.0
83.04969	6.2
83.08598	7.2
91.05477	30.7
93.07029	21.1
95.04951	25.5
95.08600	7.8
97.06506	9.9
103.05500	3.5
105.07022	15.2
107.04971	9.0
107.08609	8.5
109.06529	5.5
117.07051	10.3
119.08539	26.0
121.06506	12.0
125.06021	3.5
129.07034	7.9
129.70262	3.5
131.04945	3.6
131.08568	9.9
133.06494	3.7
135.04364	4.2
135.08093	13.2
137.05975	28.0
137.09613	6.4
138.85243	3.7
143.07045	9.4
143.08554	8.3
147.08063	18.3
149.06067	4.1
149.09671	6.4
157.10095	8.1
161.05991	5.0
165.09149	10.6
176.36165	3.8
176.37724	3.8
177.09125	5.1
195.10121	10.4
199.14836	15.1
221.11815	5.2
234.62524	3.9
245.15410	6.7
263.16418	100.0
263.19165	6.8
275.12772	5.7
399.21710	11.7
417.22495	20.1
434.25409	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	435.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	16.9
56.12297	14.4
60.01937	13.1
66.25887	12.6
69.40054	14.3
71.59222	12.4
74.44918	16.1
81.07029	20.9
81.60313	14.5
84.70017	14.5
93.07014	23.4
95.08585	28.0
102.04213	18.5
105.07095	28.6
109.06530	25.1
115.67013	17.0
121.10129	17.7
133.10106	15.8
133.97398	18.5
135.08078	15.9
141.92949	15.3
177.05550	18.9
186.87625	20.4
211.19455	19.2
264.73370	17.9
435.20190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10429	42.4
63.68166	43.7
70.84190	39.8
88.53667	46.2
91.71081	54.0
109.17465	46.4
123.40247	44.2
123.96264	52.1
125.46330	44.4
139.32243	49.8
166.94040	50.5
400.35190	55.5
435.21521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32672	36.8
56.96547	52.9
61.80714	38.0
65.10804	35.3
70.05949	33.9
75.92323	39.3
83.01678	41.7
93.06201	42.3
93.06924	54.3
105.07058	52.1
112.40421	43.7
435.21509	100.0
440.38770	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	435.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17051	2.1
58.82627	2.1
63.40650	2.6
69.07043	4.3
70.06575	5.5
76.99544	2.3
77.00034	2.5
77.03911	2.3
81.07034	7.3
81.52862	2.5
88.07619	77.0
91.05460	13.6
93.07043	15.1
95.04978	7.0
103.05460	7.7
104.17744	2.7
106.06546	4.6
107.04946	16.7
114.94020	2.3
117.07044	2.8
118.06542	12.2
119.04883	3.3
120.08067	4.3
121.06497	82.2
123.04453	5.1
130.06496	6.1
132.08099	7.4
136.36014	2.8
137.06006	6.2
144.08072	35.5
197.02528	2.8
198.76321	2.3
203.67442	2.4
214.12372	4.7
223.54744	3.0
226.08586	5.0
230.40289	3.5
238.12199	4.6
240.10223	5.2
254.11696	15.3
263.16525	3.3
264.16843	3.5
270.20230	2.9
348.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2354
Annotation	Arg Pro Tyr
Peak:m/z	Relative Intensity
51.48939	5.5
59.89697	4.3
64.21308	5.0
67.89118	5.5
71.55916	5.0
82.58250	5.7
170.72057	5.6
187.38931	5.7
237.19981	7.4
240.19948	5.9
255.17296	6.5
387.73383	6.4
435.23367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48939	5.5
59.89697	4.3
64.21308	5.0
67.89118	5.5
71.55916	5.0
82.58250	5.7
170.72057	5.6
187.38931	5.7
237.19981	7.4
240.19948	5.9
255.17296	6.5
387.73383	6.4
435.23367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39583	1.4
51.56805	1.6
58.51252	1.6
61.11558	1.8
63.19930	1.7
69.07078	2.2
69.75301	1.5
78.58150	1.6
89.05979	2.9
107.19805	2.0
115.10908	2.1
116.61025	2.3
121.60318	2.0
123.08077	4.6
128.49742	1.9
130.08615	2.0
149.02368	3.1
259.03271	2.4
274.09305	2.2
356.48685	2.1
364.73093	2.2
435.30786	100.0
450.69180	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	435.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13538	7.9
57.07072	68.8
57.13072	8.4
67.54193	7.7
70.83633	7.9
71.08606	43.2
85.10177	18.7
89.06021	100.0
95.99833	10.0
97.10150	9.7
106.27824	8.9
109.89349	7.8
112.38747	8.1
130.08635	30.4
133.08617	39.9
150.37689	8.7
216.05023	9.5
284.45746	12.4
308.87952	12.0
323.95642	10.9
353.34726	12.3
400.46585	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	436.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07890	1.8
54.62429	2.0
59.12259	1.8
64.16702	2.0
70.06584	2.9
84.08141	3.4
84.11272	2.1
86.09718	2.4
110.06083	3.3
120.08146	4.9
132.89462	2.3
134.06070	6.6
136.02963	2.4
140.80376	2.6
152.07114	4.5
156.93791	2.3
182.09740	5.0
184.09940	4.5
185.10875	2.7
199.12315	17.1
210.09344	2.9
211.08766	4.4
212.09523	8.4
213.10252	3.0
227.11778	100.0
241.13411	4.5
253.13503	8.4
255.11263	37.5
269.12827	30.3
280.95792	2.7
287.13855	38.1
297.12277	26.1
315.13367	90.1
353.59351	2.8
394.99838	2.9
423.43207	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2107
Annotation	Cryogenine
Peak:m/z	Relative Intensity
55.01866	9.6
55.05508	10.2
58.99576	10.6
62.99067	9.0
67.05492	7.4
69.07056	100.0
70.02937	3.9
74.00658	18.8
76.02217	5.4
76.04002	4.0
83.06075	6.4
84.04491	43.5
84.04944	4.6
85.04012	6.0
86.99075	3.6
87.02683	42.2
88.02209	10.6
91.71503	10.3
101.04242	6.4
111.11727	8.4
112.03974	10.3
116.01672	33.0
129.06625	16.3
130.05003	48.2
143.08908	16.5
144.01176	14.6
145.06049	5.3
159.08380	16.1
161.09969	19.7
162.02174	66.8
169.10458	10.4
174.22636	3.5
177.03262	6.4
186.13136	5.4
187.11446	18.4
202.77252	3.2
204.14154	6.8
223.83981	4.5
272.13071	25.9
289.15845	10.5
290.14194	40.0
307.16693	17.8
361.17908	21.9
369.59021	3.9
373.17938	4.0
436.20868	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01531	13.9
56.96562	100.0
59.12186	11.6
71.37665	11.2
123.08224	15.3
167.81277	14.9
191.07053	24.1
338.19794	16.8
364.18094	17.0
374.23572	26.9
392.24844	41.9
402.93094	17.6
436.23636	54.4
459.25443	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64181	1.4
51.69811	1.3
55.01855	2.2
55.05505	10.3
60.08131	3.1
67.05495	38.5
69.07056	6.5
71.07355	2.1
71.75595	2.1
73.02905	9.9
76.52615	1.5
77.55533	1.9
79.05484	18.2
80.66447	1.5
81.07047	21.4
83.04971	17.1
83.51887	1.9
86.09713	9.4
87.04447	3.7
91.05473	14.7
91.70960	1.8
93.07033	23.1
95.04957	6.7
95.08597	16.0
97.02860	2.9
99.04443	7.4
101.82041	2.1
103.76434	1.7
104.10723	4.3
105.07008	12.4
107.08599	11.9
108.57529	1.7
109.10157	6.8
111.04425	32.3
113.05981	4.1
117.07047	2.8
119.08590	7.4
121.10136	6.5
123.04441	2.5
124.99982	3.2
127.07555	8.6
128.11162	2.1
131.08585	4.9
133.10121	5.5
135.11664	2.1
141.05460	6.1
145.10083	2.9
155.07028	94.2
155.23042	1.8
173.13297	2.6
184.07368	10.7
185.13190	1.9
197.35405	1.8
200.45419	1.9
242.82339	2.4
359.25775	38.5
372.18558	3.9
377.26846	21.3
406.98471	2.8
436.34186	100.0
437.19324	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	436.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08198	6.3
53.48424	4.8
55.05497	9.0
57.54807	5.6
67.05489	19.4
69.07061	60.3
79.05479	13.1
81.07053	61.0
86.09708	26.9
88.03982	21.9
91.05489	13.6
91.46103	6.3
93.07026	34.1
95.08611	25.9
98.09696	9.2
105.06990	17.9
107.08582	19.0
109.10166	21.9
119.08572	11.5
121.10142	26.8
123.11732	11.6
131.12378	7.2
133.10181	8.0
145.10175	9.2
146.93602	7.3
161.13356	7.9
175.72180	7.4
244.27055	7.2
369.78442	8.4
390.33606	82.2
436.34262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55829	4.7
53.80386	5.2
55.05493	11.9
57.07079	4.9
64.84171	5.1
67.05484	11.1
67.30931	5.2
69.07050	29.9
76.56310	5.2
79.05500	8.6
81.07053	50.3
86.09694	20.3
88.03981	25.8
91.05471	10.0
93.07037	32.5
95.04945	6.2
95.08612	31.3
105.07015	21.1
107.08611	19.6
109.10132	14.6
119.08597	10.8
121.10144	26.8
123.11758	10.9
128.10728	7.1
128.48169	7.3
133.10121	9.4
159.11659	11.5
161.13239	11.8
207.31447	7.5
266.16949	6.5
273.56439	6.9
372.32828	7.8
390.33606	68.2
418.33066	7.1
436.34232	100.0
438.12775	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	436.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59310	1.5
57.59915	1.4
64.69006	1.8
65.03934	3.4
66.06276	1.6
91.05476	100.0
91.71390	6.6
91.74380	1.8
98.98482	2.9
106.06572	5.9
120.08076	3.5
147.52852	2.0
166.07790	4.1
181.10109	11.2
436.35742	35.3
437.36447	2.6
459.82950	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	437.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55365	4.1
58.59023	4.0
67.25219	4.2
70.41883	5.0
78.66018	4.2
86.29721	4.4
93.07032	10.8
95.04930	6.0
103.05457	8.1
107.04944	18.8
121.06490	21.6
122.30492	4.8
127.35001	4.9
139.46284	5.0
141.06979	13.2
152.06180	7.6
169.06532	9.2
181.06503	18.6
181.50223	5.4
197.05975	49.3
209.05910	8.5
211.07614	6.9
225.05458	47.7
227.06947	9.5
269.09799	8.1
284.08215	14.4
303.12100	8.4
315.09811	6.7
406.88232	5.0
419.12454	9.3
437.14081	6.0
437.19275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36212	3.6
58.80354	3.8
61.06620	4.2
65.03965	4.6
65.67848	4.1
70.06588	6.2
72.79417	4.1
79.05496	7.0
81.07064	22.1
84.04516	4.5
89.47377	4.9
91.05512	9.5
91.71645	10.5
105.07061	7.8
107.04993	4.3
109.06570	19.4
116.84071	4.4
135.04485	6.0
135.39386	5.0
137.05975	100.0
137.06912	7.1
150.06795	20.1
151.07539	45.9
165.09094	92.1
165.10286	6.6
199.09076	4.8
212.94031	5.4
245.32254	6.1
248.17059	5.6
275.12665	27.9
287.05521	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	437.1934
Annotation	Deisovalerylblastmycin
Peak:m/z	Relative Intensity
74.04448	3.7
85.31531	4.5
108.95055	5.4
128.03577	4.1
141.69545	3.8
142.74161	4.3
200.80203	4.1
219.08992	4.1
250.89682	5.7
436.26553	5.1
437.19293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86326	3.8
61.13922	4.5
65.62050	4.5
67.05492	7.7
69.32233	5.1
71.59270	4.8
79.34290	5.7
93.07043	7.8
95.08626	6.2
107.67824	7.3
111.04557	6.3
167.01727	5.5
210.06763	26.9
250.83481	6.0
286.22849	6.8
437.13669	25.2
437.19327	100.0
437.34619	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05055	6.2
54.44273	7.2
55.05497	11.2
60.08136	14.2
60.56116	6.7
67.05498	12.2
69.07070	10.3
70.06583	37.1
70.56351	7.0
71.04989	11.3
81.07022	14.8
95.08572	9.4
105.07020	7.1
107.07506	7.0
112.18984	7.9
116.07095	23.4
180.27007	8.7
181.42058	9.0
217.49532	11.5
378.30243	18.0
437.19418	100.0
437.37393	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	437.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50448	3.4
55.51582	3.7
64.94268	4.4
67.31239	4.1
67.84263	4.3
69.07072	4.1
79.48398	4.3
83.40052	3.7
83.90413	4.7
94.98437	4.3
201.22763	4.8
203.58406	4.6
245.91599	5.0
266.08804	4.5
302.74213	4.6
323.34210	5.4
437.19345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2512
Annotation	Tyr Val Arg
Peak:m/z	Relative Intensity
51.79990	6.7
55.32664	7.5
58.22152	6.8
58.66359	9.0
65.09468	7.4
75.27298	8.3
78.99541	7.5
91.70978	8.1
126.54870	8.5
128.05513	8.1
189.23238	10.0
206.68265	9.8
256.95416	9.6
304.49136	12.1
313.29333	10.4
419.23660	13.8
437.25024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05192	10.8
56.58913	10.7
81.07055	13.5
109.98875	16.1
114.35036	16.8
120.13869	14.2
158.24757	16.9
257.14194	15.4
437.28665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76500	4.3
55.01870	5.6
55.05500	21.1
57.07060	9.7
67.05499	76.6
69.07053	26.0
71.72009	5.7
79.05485	19.8
80.79644	5.3
81.07045	100.0
81.69120	5.0
82.42941	5.1
83.08616	15.3
86.81216	5.3
91.05464	22.7
93.07031	46.6
95.08597	75.1
97.06520	7.4
97.10149	14.3
105.07037	19.7
107.04929	7.6
107.08601	31.8
109.10150	26.6
111.08038	9.4
119.08573	22.3
121.10145	30.5
123.11732	7.9
128.66794	5.7
131.08531	13.7
133.10115	16.5
135.11679	16.4
145.10109	20.1
147.11713	7.7
159.11688	7.4
171.11687	6.9
324.64221	6.6
367.29974	12.8
384.32565	20.9
385.30862	39.5
402.33557	63.9
403.32013	13.8
419.36414	10.6
420.34201	13.5
437.37476	27.9
454.76563	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	438.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	7.7
69.43359	1.9
70.06585	10.9
80.62122	1.7
81.03413	4.3
85.02893	28.3
91.03941	2.6
91.05473	6.5
97.02905	5.3
107.04929	24.5
107.05463	2.1
109.02863	2.7
112.15548	2.2
113.07129	3.0
119.04932	52.0
119.08541	2.6
121.06495	10.5
127.03876	5.2
145.04919	6.0
147.04404	100.0
165.05516	7.6
176.34251	2.5
204.78931	2.1
212.76900	2.4
239.59453	2.2
241.08569	97.7
242.08865	2.8
249.88797	2.6
259.09647	17.2
319.05075	2.3
403.22263	7.6
419.16547	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	23.9
57.72071	15.0
58.99604	16.5
67.05505	63.4
68.18927	17.8
76.02223	30.0
79.05485	50.5
79.45026	15.6
81.07076	54.7
87.51215	19.6
91.05498	78.5
93.07045	57.7
95.04942	26.0
95.08595	24.2
97.06546	20.6
105.07062	74.9
107.08620	45.9
109.06524	27.3
109.13261	18.2
117.07011	37.1
119.08575	29.1
121.06570	22.4
122.02714	100.0
131.08542	48.2
133.10190	33.8
141.07074	18.7
145.10211	22.5
171.11778	36.7
183.11740	24.5
189.12904	19.4
215.14325	20.8
261.36609	22.6
299.20044	44.6
317.21289	53.8
391.98117	25.6
460.19495	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	438.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35910	21.5
67.05493	37.8
79.05482	55.8
91.05453	84.9
91.71001	23.8
93.07038	79.6
95.93022	22.0
105.07048	40.9
105.11983	26.9
121.10129	30.5
122.02721	41.2
131.08580	52.3
149.09654	25.5
161.87521	25.1
187.49324	25.6
188.26463	28.2
213.09145	100.0
215.14320	41.7
286.04813	35.8
299.19943	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	438.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83088	13.3
70.06586	80.9
105.07024	14.1
113.07137	41.2
119.08570	34.0
140.58664	14.1
147.08031	34.6
157.10056	15.3
161.09612	34.7
203.14270	26.0
217.15997	16.9
245.15446	19.7
312.60345	16.3
317.13089	15.9
392.67502	14.9
403.22223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75797	10.3
55.41974	11.6
69.93872	13.4
70.06573	29.1
81.48090	13.5
88.07605	33.3
102.09176	27.4
125.35695	14.3
149.02327	100.0
189.05922	17.7
193.04913	76.5
224.24379	16.5
228.23170	73.4
237.07585	92.2
245.64055	14.6
438.28693	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21814	1.8
58.23520	2.5
65.03934	2.7
68.80488	2.0
77.06853	2.1
89.59045	2.5
93.98009	2.3
102.63776	2.0
149.02328	67.1
149.03455	3.1
193.04955	100.0
232.26176	3.0
291.86603	2.7
312.45718	2.5
438.28427	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	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	13.2
57.03431	8.4
58.55941	7.6
60.04520	50.4
67.05495	100.0
69.07053	15.4
74.68192	8.2
79.05486	22.1
81.07040	93.6
81.91332	8.7
82.04538	9.6
88.03998	97.2
91.05466	28.3
93.07019	39.5
95.04935	13.9
95.08607	89.9
104.59942	7.3
105.07035	13.9
106.05014	86.7
107.08591	15.0
109.10144	38.2
115.03928	9.7
117.07068	8.4
121.10150	22.4
123.11709	14.1
131.08655	11.2
132.13660	8.2
133.10149	10.3
135.11711	15.5
147.11586	10.0
150.30531	7.7
151.91644	8.4
164.04405	7.8
378.44629	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	438.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31924	6.7
55.05505	13.7
57.03443	7.2
65.35004	7.6
66.48077	6.5
67.05504	39.4
69.07040	18.2
72.02834	7.8
73.02905	11.6
79.05499	13.8
81.07049	20.7
83.04970	15.2
91.05516	12.1
93.07031	20.5
95.08597	24.3
99.04482	8.4
105.06989	10.4
111.04421	29.6
127.07533	20.8
147.74127	7.9
155.07016	89.7
218.81766	9.6
361.27344	31.9
379.28302	18.7
438.35760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1535
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
51.81760	7.1
59.01207	8.7
65.50242	8.7
72.98438	8.8
81.07046	12.1
91.05479	40.5
101.72533	9.3
107.05019	13.3
142.07791	18.1
145.22728	9.8
146.60014	10.4
147.39438	9.4
195.08115	12.6
213.09102	100.0
218.87038	10.5
227.07100	17.6
241.75893	12.3
439.15582	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	439.1541
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
50.00749	1.0
50.36853	1.0
54.85814	1.2
65.03931	6.4
80.35195	1.2
91.05475	31.1
92.06271	3.1
95.04973	2.4
107.04935	7.2
109.06516	2.3
119.05005	1.6
123.04405	1.4
128.06201	1.7
129.06984	2.6
131.04979	1.6
141.06975	2.4
141.95560	1.5
142.07816	8.7
149.02408	1.6
152.06241	6.0
153.07005	2.6
157.10132	2.2
165.07001	2.6
165.50484	1.4
166.07750	1.7
167.08528	8.7
169.06468	2.6
170.07265	3.0
181.06505	3.8
185.09676	3.2
193.05013	4.5
195.08044	11.0
197.05984	2.0
198.06795	3.8
199.07556	12.3
213.05786	4.1
213.09091	100.0
224.93250	1.6
225.09212	1.8
226.06256	23.5
227.06990	16.6
229.23738	1.7
239.07063	3.0
253.08601	2.6
258.36481	1.6
282.18143	1.5
333.11295	2.7
417.90204	1.7
439.15363	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1541
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
50.20755	2.0
54.42548	2.1
56.36938	2.0
59.46613	1.8
62.81351	2.1
65.03953	7.0
68.46035	2.2
70.29420	2.1
73.74600	2.5
74.93028	2.1
77.57697	2.1
91.05470	27.8
91.71601	2.8
92.06303	3.5
107.04977	8.8
129.07004	2.7
131.04956	2.4
137.23466	2.5
142.07829	9.4
152.06306	3.6
153.07028	4.0
157.10204	5.0
165.07050	5.1
167.08653	6.6
170.07329	4.6
185.09596	2.6
195.08147	8.9
199.07654	8.2
200.20909	2.5
213.05971	3.7
213.09088	100.0
219.22121	2.8
226.06216	20.9
227.06993	19.2
253.08678	3.2
326.34198	3.2
439.15454	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	439.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61981	11.5
53.89555	10.9
54.18118	11.8
90.48334	14.2
91.05488	35.7
107.04972	36.0
121.06502	29.8
130.13817	13.7
131.04919	16.6
141.06978	16.3
152.06219	15.6
156.09633	17.3
166.57542	17.5
195.08025	20.7
197.06023	26.6
199.07555	18.6
210.06812	48.5
211.07443	14.1
213.05672	19.4
213.09169	90.5
226.06242	49.9
227.07098	41.7
240.28206	17.3
244.43677	15.5
281.15515	19.5
320.60376	21.1
428.12262	20.1
439.15158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1539
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
73.88401	14.2
81.07040	17.8
84.36481	15.6
91.05474	49.2
103.78542	13.9
107.04948	58.3
119.98991	15.7
121.02925	17.1
121.06481	39.0
123.04369	19.2
131.04903	19.6
143.08585	17.4
155.08508	22.2
165.07027	25.1
167.08470	17.5
181.06535	28.4
183.08046	18.5
197.06024	56.7
209.05766	18.6
210.06776	61.3
210.91965	18.3
211.07523	52.3
225.05510	26.6
225.09068	34.1
226.06253	42.8
227.07008	46.2
241.08487	27.2
253.08475	16.2
318.67151	18.7
439.15332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1903
Annotation	Riccardin A
Peak:m/z	Relative Intensity
52.31998	2.9
63.88526	3.1
75.46111	3.3
79.05469	5.8
84.13050	4.1
91.05476	23.1
93.07037	10.4
95.04947	11.0
98.93650	3.7
103.05469	12.3
105.07027	40.3
107.04954	14.0
107.30344	3.8
119.04957	3.7
120.05769	5.5
121.06509	76.4
123.04341	4.4
123.70076	4.1
128.60045	4.4
134.07277	19.2
135.08044	100.0
153.06958	9.7
165.07014	12.2
167.08635	6.9
176.06290	4.6
181.06494	9.1
182.07339	5.2
183.08034	6.3
186.34270	4.4
195.08092	6.6
197.06003	6.8
199.07542	4.7
210.06731	8.5
211.07455	22.2
212.08020	8.3
213.09048	19.9
224.08441	9.1
225.09155	26.9
227.10645	52.3
237.09186	5.8
239.10652	35.8
253.12231	5.6
331.13123	13.7
346.15613	5.6
439.18869	20.5
439.24234	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97668	0.7
60.23651	0.6
60.99792	0.8
70.06583	10.1
72.08146	100.0
72.23188	1.0
84.08129	1.1
102.05535	1.8
110.09682	6.3
112.05083	21.3
112.07590	2.0
127.12320	1.4
130.04955	1.9
134.82954	0.8
137.05898	0.9
140.07030	0.9
158.08134	13.9
173.09195	1.6
173.36090	1.1
175.10774	2.6
227.13934	5.1
244.16547	60.8
277.09067	1.0
278.35535	1.0
345.66666	1.5
439.14261	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56104	1.8
55.05513	1.9
57.07069	100.0
57.07351	4.8
67.05521	2.1
71.18155	2.2
71.46476	2.1
73.66734	2.2
81.95881	2.1
85.06519	2.6
89.06008	4.2
91.70913	2.8
92.13154	2.2
95.08604	6.8
107.08505	2.4
107.54623	2.4
109.10143	8.5
111.08100	3.0
111.08996	2.0
111.55927	2.2
121.10138	3.2
125.09631	2.4
133.08571	3.7
139.07542	3.2
145.14622	2.8
195.13707	4.8
213.12640	4.7
221.26392	2.5
239.14830	4.6
269.19040	4.1
282.16840	2.8
297.18518	23.7
327.19589	4.2
353.24731	42.7
383.25974	3.0
439.31982	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86612	1.5
55.05508	13.6
57.07051	6.5
57.51014	1.3
60.07906	1.6
60.08158	22.5
65.86889	1.7
67.05491	2.5
69.07058	18.7
70.06584	77.3
71.04671	2.0
71.04984	24.6
71.08589	4.0
72.08117	2.5
74.02440	12.0
81.07056	3.0
83.08607	14.0
88.07604	4.6
88.51190	2.1
89.81792	1.6
91.71032	2.2
95.08588	3.6
97.10168	9.9
98.06063	2.1
101.59895	1.6
107.08557	1.7
111.11685	3.0
116.07095	49.0
139.65559	1.7
160.67279	1.7
188.32028	2.0
217.20854	1.8
380.31512	23.1
439.24637	4.8
439.38916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04932	5.7
58.27002	5.5
58.99569	13.6
60.17811	5.3
60.32225	4.9
61.01101	8.0
61.62174	5.6
70.06573	29.0
76.02207	17.8
76.03645	6.5
81.03379	5.8
86.09683	12.6
98.06118	8.9
99.08085	16.4
116.80013	6.7
146.02690	12.0
172.07562	10.3
201.81764	6.9
213.10228	13.4
214.08427	9.7
241.09746	50.1
243.11295	22.3
255.11218	13.4
258.12381	16.9
259.10886	36.2
283.10788	16.9
285.12411	17.6
301.11807	57.6
302.10361	9.3
317.13727	18.2
319.12668	11.1
362.11572	14.1
404.12561	17.7
422.13809	100.0
423.12405	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	440.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	58.7
72.08098	15.8
73.73840	13.3
76.02204	34.2
78.16042	12.5
81.07034	17.3
82.76262	13.2
84.04476	25.2
86.09702	22.8
97.15697	14.9
99.65380	14.9
100.02213	30.8
111.66817	17.3
117.11901	13.2
117.16964	14.1
123.72971	13.8
142.82327	16.7
241.09711	54.4
243.11424	17.9
243.89868	17.8
258.12299	20.7
259.10657	30.4
285.12286	25.9
301.11755	46.1
317.13712	33.2
402.03558	17.2
404.12885	28.4
422.13742	100.0
440.18939	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	440.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82890	19.3
68.01924	20.6
70.06573	85.9
71.29958	19.9
83.30325	20.7
84.04492	50.2
84.08133	35.8
86.09715	34.2
92.90125	24.7
99.08069	58.5
103.94917	22.1
105.73993	25.3
140.07234	28.1
163.84094	29.3
230.71915	25.0
241.09703	44.1
243.11406	49.9
260.06094	24.9
264.10175	26.8
277.64001	27.9
284.22543	26.7
301.11707	65.9
317.13474	34.4
422.13806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75684	2.5
52.98466	2.1
57.03434	2.9
58.06599	2.2
61.02918	3.6
69.03413	11.2
70.06577	6.1
70.98145	2.2
71.04985	39.4
81.03403	13.5
84.04480	2.8
85.02900	65.7
86.09699	2.5
87.04447	2.6
88.07623	3.2
90.26137	3.2
91.71681	3.2
93.19209	3.0
97.02885	29.8
99.04446	66.9
99.05049	5.2
99.50633	2.5
103.03931	72.0
109.02856	21.3
117.05479	44.4
125.12892	2.8
127.03911	100.0
139.65295	3.1
145.04944	55.8
163.06010	44.8
187.05959	4.9
218.15076	3.0
260.09128	5.7
266.31549	3.1
271.08191	12.5
289.09164	8.6
296.20410	3.1
307.10217	12.6
365.07587	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	440.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06377	1.9
60.52690	2.1
61.02925	2.3
62.50771	1.9
69.03436	8.1
70.06606	5.2
72.08163	2.5
79.53722	2.5
81.03424	4.6
81.07062	10.6
81.11977	2.2
84.08153	3.3
85.02900	39.2
86.09728	5.1
91.05466	21.1
91.71064	2.7
95.05015	4.6
97.02905	7.9
109.02843	3.1
109.06518	13.4
119.04897	12.2
127.03952	4.7
133.86324	2.6
137.05974	100.0
145.05008	7.3
151.07526	89.0
215.80981	2.3
261.11169	43.5
331.79398	2.4
429.16730	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	440.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45990	2.1
53.03934	3.2
61.02879	3.7
67.05891	2.2
69.03411	12.3
71.04975	7.8
73.02908	3.6
81.03411	14.0
85.02427	5.3
85.02897	69.8
93.99562	2.6
97.02882	43.6
99.04445	50.0
103.03931	77.3
109.02865	21.0
127.03909	100.0
133.38399	3.1
145.04944	57.5
163.06006	36.0
187.06062	4.9
271.08145	12.6
289.09134	6.6
307.10226	5.8
330.29922	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	440.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58561	1.0
56.51624	0.7
58.96053	0.6
68.05032	0.8
70.06583	1.0
74.06076	0.9
84.04497	1.0
84.08134	5.0
85.34386	0.7
88.23637	0.7
91.05462	1.6
91.93644	0.7
93.07039	3.1
95.50836	0.7
102.05521	10.8
103.05456	1.4
104.41698	0.7
107.04963	2.8
110.09680	8.8
113.48238	0.8
117.05761	2.2
119.04938	0.8
119.07313	1.4
120.08095	1.8
121.06492	16.0
130.04988	6.5
132.08087	8.3
133.08911	1.2
146.09589	1.8
147.10475	1.1
148.11179	5.6
156.06522	1.2
158.08113	35.7
159.10408	6.5
160.11214	2.3
161.11972	13.6
162.12817	1.3
174.12772	10.9
185.20863	0.8
186.20448	0.8
194.85834	0.8
226.12242	5.1
227.13892	17.1
266.15363	11.0
268.16919	100.0
269.17233	2.2
295.09464	0.8
440.25330	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	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	6.9
57.07056	17.1
60.78662	4.6
62.06080	37.3
67.05469	5.1
68.99017	5.4
71.08619	19.8
76.97719	5.4
79.21866	6.4
80.04183	5.9
80.75676	5.6
81.07030	7.4
82.39550	5.6
85.10171	8.8
90.05531	5.2
92.19706	4.8
95.08591	9.9
123.04434	13.7
130.83911	5.8
218.74753	5.9
221.56596	6.6
268.26291	9.8
299.25708	100.0
312.62720	7.4
330.58832	7.3
330.89105	6.4
338.55157	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95066	21.3
68.64313	29.1
70.06579	65.1
76.22849	25.9
105.07065	48.3
119.08565	46.0
128.07112	38.0
136.96837	31.7
154.08641	64.9
197.15402	34.7
233.15427	65.0
397.41324	33.0
434.87350	37.6
440.28067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48296	11.0
61.21916	10.6
62.34992	11.4
64.77978	12.5
72.04512	100.0
85.41887	13.0
89.06003	15.3
89.71974	11.5
106.82630	12.0
124.41763	13.8
201.63538	14.1
222.04652	16.1
422.43475	40.3
440.44421	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	441.1696
Annotation	Neomarchantin B
Peak:m/z	Relative Intensity
91.05474	29.7
91.71651	22.8
91.85293	13.6
101.50274	15.9
107.04955	59.7
121.06519	61.6
123.04427	17.8
135.04424	32.1
136.05202	26.5
168.98819	14.9
183.08095	25.4
197.05922	16.1
206.07158	20.7
209.41158	15.8
211.07521	49.9
213.09146	36.6
221.09637	18.7
229.08557	91.4
239.10631	79.6
263.63345	19.5
319.13260	17.1
338.48032	16.9
387.06152	15.9
441.11621	18.7
441.16837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1695
Annotation	Candesartan
Peak:m/z	Relative Intensity
59.97582	4.1
66.01738	4.4
91.05476	11.6
93.07034	17.9
95.04947	8.8
103.05478	9.4
104.03274	4.8
107.04931	16.1
121.06498	100.0
123.04456	6.8
138.05313	5.9
211.07559	7.0
225.09236	6.3
227.07083	8.3
229.08621	9.3
278.19818	6.7
329.11554	12.9
347.12662	19.0
423.96164	5.3
441.16498	9.5
451.99875	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1697
Annotation	Candesartan
Peak:m/z	Relative Intensity
55.90351	8.4
70.42075	10.3
79.29812	8.3
91.05477	39.0
95.04967	11.8
103.05389	10.0
103.08691	9.5
105.07008	15.0
107.04932	69.3
117.07059	13.4
118.84625	9.9
121.06517	32.1
123.04398	14.1
135.04456	22.2
137.05994	28.7
140.49231	9.7
145.23228	9.4
165.06917	16.2
167.53313	10.2
170.88776	10.2
181.06514	15.7
183.08038	27.7
197.05832	16.1
209.06226	14.6
211.07565	44.5
212.08203	23.5
213.05446	9.9
213.09094	17.4
215.07060	16.0
223.07486	19.0
224.08299	29.3
225.09142	24.1
227.07008	28.4
229.08582	12.4
239.10680	32.2
241.08682	19.8
323.67883	12.3
341.55600	11.5
347.12906	15.0
372.02274	14.9
441.16760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.1
61.96903	2.9
62.98431	2.7
79.05463	3.2
88.68423	2.8
91.05482	15.1
103.05441	4.1
105.07070	6.3
105.27269	3.0
107.04956	18.0
110.49035	3.0
115.05455	3.5
116.06258	3.5
117.07022	3.6
119.04943	7.0
120.05728	6.3
121.06494	10.6
129.07013	3.5
131.04938	8.0
133.73183	3.5
145.06480	7.1
152.06223	4.0
153.06961	4.3
155.08618	4.8
159.07979	7.9
165.07002	11.6
167.08472	4.0
169.06384	3.9
171.08099	5.6
173.09590	4.0
181.06451	10.4
182.07307	7.5
183.08054	13.5
192.20520	3.2
197.05965	28.6
199.07631	11.8
207.08012	3.3
209.05861	5.7
211.07544	41.8
212.08086	4.1
213.09096	17.0
225.09090	26.6
227.06975	14.4
227.10757	9.4
237.09001	4.5
239.10817	16.7
241.12354	9.3
343.75128	3.2
354.11572	5.0
370.68933	3.7
395.16678	7.9
397.15582	3.5
423.16055	17.2
441.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82638	13.1
56.72318	16.3
56.84444	15.7
61.73298	15.2
65.55450	16.2
73.15552	15.6
91.05463	34.2
95.04945	20.4
95.08602	24.0
95.09246	17.3
96.65245	18.7
98.97565	21.2
105.03421	17.6
107.04966	70.0
121.06509	30.9
127.69152	20.9
157.40715	22.6
171.75804	22.5
199.07494	21.3
211.07552	85.2
227.06947	44.7
228.07697	21.9
229.08691	26.9
441.16928	100.0
459.00772	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	441.1697
Annotation	Candesartan
Peak:m/z	Relative Intensity
62.20623	26.8
81.07053	32.9
86.48698	29.0
91.05502	29.6
93.06985	28.6
94.82315	30.4
99.12496	38.9
119.08511	33.3
132.50029	29.9
154.43745	34.1
167.47076	37.3
208.64319	43.1
225.09114	65.4
225.73575	32.3
256.88461	31.9
410.14703	34.4
441.16861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04544	0.8
62.90432	0.9
63.95565	0.9
68.92912	0.7
70.06570	4.0
72.08155	1.1
84.08147	1.0
85.02876	1.0
94.04024	2.0
122.06023	1.1
123.06675	1.4
133.98692	0.8
150.07738	100.0
153.92166	0.9
212.52177	0.8
221.05193	0.9
253.22116	0.9
282.12000	2.7
283.74460	0.9
309.13010	11.4
332.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44074	7.7
64.68752	9.0
68.74991	11.3
69.00368	8.7
69.03423	34.6
69.28556	7.8
70.06599	17.4
79.05453	12.6
81.03371	18.7
81.07059	13.6
82.57029	9.0
85.02878	31.7
85.14482	10.3
91.05461	18.6
93.07037	81.3
97.02892	18.6
98.19478	11.5
99.04440	18.9
103.03912	20.1
105.07027	100.0
107.08595	44.8
108.79966	10.5
119.08595	19.7
127.03900	33.5
127.86658	11.3
133.10150	41.7
135.11700	63.1
143.08490	12.5
154.99918	11.5
157.04904	14.2
163.11151	26.0
165.12692	14.9
188.07013	11.6
198.21739	11.8
209.21304	10.5
261.14822	22.8
365.45654	12.7
423.20068	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	441.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48236	7.9
55.01859	10.0
56.77653	7.9
69.03416	48.9
70.06577	20.9
79.05496	22.5
81.03408	10.6
82.04098	8.7
83.04983	13.0
85.02894	35.5
86.09686	26.0
91.05460	25.6
91.70997	18.6
93.07034	100.0
96.18474	8.0
97.02881	12.2
99.04472	15.7
103.03966	24.2
105.07018	100.0
107.08600	43.2
109.02877	10.5
127.03941	18.1
133.10092	44.3
135.11679	67.7
157.05017	16.5
157.10136	13.9
160.37079	11.8
163.11282	15.2
165.12817	12.5
183.11749	9.5
261.14676	24.4
279.16129	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73804	7.8
57.07067	9.4
69.03410	41.0
70.06570	11.7
73.19753	8.7
79.05494	26.5
80.91819	9.8
81.03401	19.0
85.02898	34.5
86.09681	19.2
91.05465	27.4
93.07038	100.0
94.25565	9.7
95.04987	16.4
97.02857	19.2
99.47461	9.6
103.03934	20.8
105.07007	96.1
107.08580	42.8
115.03911	11.1
115.81491	9.1
119.08565	11.4
120.08080	14.8
120.34630	10.3
127.03924	24.1
133.10155	58.7
135.11656	74.6
145.10103	13.8
163.11191	25.0
165.12717	12.8
189.12799	11.2
216.67485	10.8
243.13892	12.3
261.14789	31.9
279.15872	13.2
321.17090	14.8
322.30252	11.4
370.85825	11.2
377.61002	12.3
441.24869	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	441.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64093	1.8
55.21375	2.0
55.45102	1.7
69.07056	8.4
70.06583	76.8
84.08162	2.1
86.09698	100.0
88.03993	4.3
107.05000	3.1
116.07075	10.9
125.07130	8.8
132.26114	2.5
146.63507	2.0
167.08205	3.3
171.07631	2.7
183.06509	5.4
185.09241	11.3
196.06010	11.0
213.08694	11.0
213.12459	3.5
215.20078	2.2
225.10269	5.1
229.15457	2.8
286.27582	2.4
326.17081	13.2
377.15094	9.1
395.16095	3.8
441.16553	13.1
441.22665	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	6.2
63.56376	2.1
64.27113	2.1
70.06583	100.0
72.01364	2.5
72.08147	60.4
83.32254	2.5
84.04495	11.6
86.09698	2.7
102.05499	2.9
116.07081	40.1
127.92202	2.5
169.13438	3.0
181.09776	6.2
199.10719	4.0
209.09256	4.3
213.12360	6.7
215.13939	8.3
227.10361	4.1
326.17133	4.4
358.85120	3.0
424.29160	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	441.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23418	1.1
57.07059	3.1
60.53012	1.1
63.97797	1.3
69.06731	1.4
69.07068	6.1
71.08621	1.6
76.13119	1.4
79.05484	4.0
91.05466	4.8
93.64143	1.2
103.05471	3.7
105.07021	25.3
106.07847	2.2
107.08578	3.7
112.11401	1.5
133.06496	20.2
134.07283	12.7
135.08051	100.0
151.07550	6.0
165.03709	17.4
167.05266	3.6
179.05264	4.8
183.57632	1.7
277.16180	12.5
295.17245	40.0
374.31268	1.8
378.47922	1.7
441.36133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00639	8.4
55.05090	8.0
55.05515	34.8
67.05499	9.5
70.06595	20.0
71.08643	38.3
75.31776	9.7
77.31871	11.5
83.08617	26.1
85.06555	12.8
88.11257	24.7
100.07637	31.4
100.11242	68.5
100.51430	10.8
111.04504	31.1
118.29629	10.5
128.07098	22.6
140.07047	14.0
159.57578	12.0
159.87839	10.5
170.15398	100.0
182.15524	39.7
186.86333	12.7
198.14867	53.9
210.14885	69.5
244.20258	23.5
249.83011	12.4
297.25565	12.3
311.55139	12.3
314.27914	14.3
354.23849	12.0
423.32928	13.7
424.31531	41.5
441.34201	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67569	2.3
65.19844	2.1
69.03425	4.1
70.06602	6.4
71.42173	2.6
79.73167	2.3
85.02934	8.7
86.55345	2.4
92.05039	2.5
104.72453	2.3
106.06604	4.0
107.07322	5.3
109.02948	3.2
213.12360	3.3
233.97768	46.7
261.97339	14.9
279.98270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56346	1.9
60.04518	2.9
69.07040	3.0
70.06585	19.8
70.07807	1.9
72.08135	2.4
72.95721	1.9
73.43046	1.7
75.51016	1.9
80.54398	2.2
84.08120	5.1
86.09694	10.1
90.19543	2.1
91.71778	1.8
115.17442	2.0
122.06023	4.7
136.07610	3.7
138.09216	4.1
161.07114	8.0
164.07054	4.5
171.13618	2.2
185.10596	2.8
186.05399	2.8
233.12860	3.5
235.45259	2.3
241.09660	4.8
257.13046	2.3
273.12332	22.9
287.13739	5.4
324.11307	6.7
325.09653	3.0
340.10715	2.8
342.12482	5.3
347.33975	2.4
352.10864	15.0
358.11743	7.2
364.71289	3.0
368.10287	7.9
380.10266	80.6
386.11185	5.0
388.91840	2.5
398.11246	2.6
414.10992	3.0
424.18561	26.9
442.10272	100.0
442.19437	15.4
443.10553	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	442.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46928	1.4
57.37160	1.8
70.06580	19.7
71.06915	1.8
72.08151	6.0
79.79959	1.7
85.46389	1.6
86.09705	14.9
100.11258	3.4
104.10780	2.0
116.07070	2.5
137.92300	1.7
138.35051	2.2
142.12231	1.9
160.09703	1.7
163.04555	2.1
175.02371	2.0
183.14958	3.5
184.07362	2.8
213.15996	2.4
229.15524	3.1
240.54347	2.0
252.07529	2.1
260.08533	2.0
266.12885	2.9
278.09180	2.7
278.12799	3.6
294.12271	10.5
295.13217	6.4
306.12436	4.2
308.10202	7.7
309.10983	2.8
322.11902	7.3
323.12613	2.6
326.51050	2.1
336.09879	9.7
340.09128	3.4
341.09967	3.0
350.11185	14.3
368.12369	100.0
369.12918	4.4
378.10745	14.9
410.13437	50.5
442.16202	8.0
464.95087	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72943	0.3
55.01865	0.4
70.06578	1.0
71.61971	0.4
72.08144	0.9
77.03932	0.5
84.04488	0.6
85.02872	0.4
86.09685	1.0
91.05485	2.6
93.07030	5.6
95.04971	2.2
100.38736	0.5
103.05447	3.4
105.04506	0.6
121.06496	100.0
130.04988	0.9
132.10249	0.6
137.05945	0.6
138.09132	26.9
156.07454	0.5
166.08546	0.8
185.86710	0.5
193.03166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05467	2.7
68.08272	2.2
70.06585	13.7
72.08146	5.3
79.77644	2.3
83.17826	2.1
85.02895	3.1
85.06464	2.8
86.09713	4.9
91.05427	2.5
91.71593	4.7
94.06557	2.8
95.04942	5.2
100.35342	2.4
107.04940	7.3
108.08144	2.9
115.75070	2.7
122.06030	4.1
124.07559	4.0
134.06009	6.9
161.07095	15.4
172.03952	6.9
201.10252	3.9
204.06555	3.6
213.10292	7.2
214.10854	4.6
222.80219	3.0
235.21814	2.8
241.09644	4.5
273.12305	100.0
287.13702	6.6
290.83344	2.7
328.46597	3.3
396.18921	7.1
424.18713	56.8
442.19809	47.4
463.12338	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	442.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26397	8.4
53.64926	8.6
59.63481	8.2
60.59069	9.3
75.06396	9.2
87.04479	16.1
90.53607	10.0
95.55134	11.1
99.85306	11.2
108.46319	10.4
145.15622	10.8
148.26164	11.1
160.98495	10.3
170.02132	100.0
309.30164	12.5
424.70776	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	442.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11369	4.8
55.47528	4.1
57.07067	33.1
59.96639	5.4
78.85994	6.1
87.04462	42.4
89.06040	18.8
91.05470	6.3
93.07038	19.2
95.04917	9.5
104.07091	18.9
108.05621	5.7
121.06509	59.6
124.16239	5.8
130.08737	6.5
165.09126	24.9
227.12764	100.0
248.37389	5.8
305.42770	6.4
442.31516	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	442.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07758	3.2
55.94376	3.7
64.47874	4.7
68.33929	4.5
71.68134	3.6
75.33385	4.2
81.07030	9.0
91.05488	13.2
93.07047	26.1
95.04960	8.0
103.05483	8.1
105.58606	4.7
117.28284	4.5
121.06501	100.0
121.10128	5.0
133.10257	5.4
172.57272	5.6
176.37402	5.0
205.82307	5.5
442.33051	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	443.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63890	0.9
60.04512	0.9
61.01144	7.7
62.10545	0.7
67.05457	0.8
69.11670	0.8
70.06570	3.5
72.04514	8.1
72.08147	1.5
73.29395	0.7
78.03785	15.5
78.70292	0.9
84.04490	1.7
84.08134	1.5
86.09695	3.7
86.30555	0.8
88.02197	2.7
95.04958	9.8
96.12305	0.8
99.05556	2.0
102.03758	23.2
105.62591	0.7
109.36102	0.8
120.04768	1.9
120.08112	0.9
121.06487	1.5
123.04425	48.0
130.05032	1.9
130.73277	0.7
131.06383	13.4
131.39662	0.8
132.04791	11.4
142.08629	1.9
149.07434	100.0
156.40851	0.9
164.07083	1.3
165.05450	8.6
184.09590	1.1
203.36494	1.0
217.78751	0.9
261.12674	13.2
313.12183	9.3
425.17334	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	443.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89288	15.1
61.64532	15.1
67.87522	15.3
76.73496	16.0
89.87062	19.0
135.81175	17.1
190.82672	18.4
208.64021	19.3
243.78925	20.5
254.37761	20.6
443.33237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3131
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
66.17193	2.5
68.25672	3.1
113.99319	3.2
123.04201	5.4
135.72835	3.4
144.67560	3.1
192.14259	3.4
423.24869	3.7
443.31577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71016	3.5
55.05497	8.3
57.62018	3.4
66.32838	3.9
67.05476	15.7
69.07053	14.7
71.08660	6.7
81.07049	20.9
83.08595	8.8
91.71661	6.2
93.07053	4.9
95.08596	100.0
95.09157	7.8
97.10200	11.8
107.08558	9.4
109.06523	19.4
109.10143	18.2
123.11686	11.4
131.08585	7.0
133.10162	4.9
137.13266	12.8
145.10091	4.9
145.15651	5.3
181.45367	5.2
292.61765	5.5
317.24716	59.2
426.29544	6.4
443.33167	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12314	0.6
60.08156	23.4
69.07044	0.8
71.04984	31.7
73.81300	0.7
86.09681	0.7
91.71694	0.9
120.08144	0.8
121.06490	1.4
130.12274	100.0
145.17096	0.9
156.71753	0.8
188.14267	1.0
196.88110	0.8
272.24438	0.8
282.13745	1.1
282.18527	9.2
283.18768	0.9
383.26801	0.9
435.87131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65479	0.8
58.06602	1.3
60.08155	20.8
71.04984	35.7
71.90702	1.0
71.95542	0.9
96.56037	1.1
122.32669	1.1
130.12271	100.0
192.91226	1.2
202.70511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76615	4.0
59.04987	9.9
65.67857	4.9
68.68446	3.9
69.50830	3.9
70.06580	13.0
71.08659	5.6
72.08151	13.3
81.07051	5.7
84.04509	4.5
84.08122	8.1
86.09705	14.2
87.04471	23.4
89.06015	17.8
103.03947	100.0
107.04976	4.3
113.06040	6.1
133.08618	12.7
147.06520	6.0
149.07426	5.7
191.09259	4.9
203.12807	11.0
274.30182	5.0
323.33591	5.1
395.63165	6.0
442.38126	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	444.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	100.0
69.07056	8.5
70.06582	14.3
88.07624	7.4
89.06023	57.2
91.05470	9.6
93.07050	26.1
95.04967	10.8
104.21870	7.4
120.31495	6.8
121.06513	69.3
130.08659	22.5
133.08565	34.4
165.09131	21.2
179.39531	6.9
184.30537	7.5
203.12770	12.8
209.11754	13.0
233.18890	10.8
277.21664	10.4
286.79376	8.0
315.18008	77.5
382.36740	11.5
427.30386	25.5
444.40408	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	445.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84044	1.5
58.95770	1.9
67.84440	1.8
68.44012	1.8
94.15228	1.8
108.51472	1.9
109.94531	2.1
159.52051	2.0
175.48547	2.1
179.04088	1.9
207.60953	2.0
210.84180	2.0
250.28601	2.1
301.08859	3.7
379.59299	2.2
383.13058	15.6
385.11090	6.0
445.13123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64777	27.3
80.88194	24.7
108.48748	25.1
146.11812	51.8
180.90001	29.6
182.96063	29.5
262.09576	33.9
301.64890	41.4
445.14307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.147
Annotation	Canagliflozin
Peak:m/z	Relative Intensity
56.74455	1.5
57.71127	1.5
70.06581	7.6
72.08144	7.1
77.17216	1.5
84.04513	4.4
84.08135	4.8
85.02901	2.0
86.09696	13.4
86.80150	1.6
87.04683	2.0
89.18810	1.8
91.71649	2.0
93.76191	1.7
110.77303	1.6
120.08134	3.4
120.22966	1.6
137.05966	2.5
139.56285	1.8
148.92509	2.0
166.32025	2.1
203.12811	3.0
209.51547	1.9
255.33122	2.4
445.14636	100.0
446.15411	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33466	2.8
68.60560	2.7
69.07076	3.8
69.46542	2.9
70.06601	7.6
72.08152	5.0
74.55500	3.6
78.33368	3.2
86.09689	18.1
91.62112	2.9
91.71016	8.7
93.13893	3.3
99.87664	3.3
115.08526	3.5
136.53073	3.6
203.12808	5.0
301.12442	8.2
359.25400	3.8
383.16830	16.4
385.14926	8.7
387.96390	4.1
445.16772	100.0
445.22952	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39415	2.3
70.06567	5.1
71.08625	4.0
72.08150	4.3
81.07001	2.5
81.99812	2.4
84.08110	3.5
86.09675	5.3
91.80702	2.4
125.55515	2.6
126.42336	2.7
130.04961	2.9
180.06726	2.6
275.60019	2.9
301.12503	7.7
357.44202	2.9
383.16739	13.6
385.14941	6.2
445.16745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46404	3.5
66.04057	3.7
69.07042	10.5
70.06570	26.1
70.34296	3.2
72.08146	38.5
79.27466	3.8
79.52888	4.3
84.04505	5.6
84.08134	9.3
86.09694	100.0
108.28545	3.9
120.08109	4.9
121.10080	4.8
128.93666	4.3
133.66116	4.3
142.00040	4.7
143.11790	6.9
162.07663	5.6
203.12727	10.8
231.16997	7.9
275.15967	6.6
284.21481	4.8
328.18246	8.3
365.90167	5.1
383.16779	9.4
445.16760	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12062	2.8
56.96559	100.0
57.51101	2.7
69.07062	5.2
71.95272	3.5
83.18727	3.4
91.05472	7.8
97.99212	9.0
98.97589	12.0
116.98611	8.2
117.07062	3.7
137.76935	3.5
139.01790	6.9
140.00201	6.2
158.01221	6.7
169.01619	4.9
181.02823	9.4
187.02733	8.4
203.12738	5.9
213.84601	4.3
215.04904	4.7
253.09038	16.4
277.21600	3.2
294.11578	5.3
370.58768	3.8
385.14682	4.7
405.58414	3.8
408.16348	16.6
427.15518	7.8
445.16849	42.7
449.18530	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	445.1758
Annotation	Petromurin C
Peak:m/z	Relative Intensity
52.16311	1.8
69.82378	1.6
71.41267	1.8
77.77107	1.8
79.05470	1.7
83.27857	1.5
84.82589	1.8
88.27483	2.1
91.05476	4.2
106.06563	3.6
107.04974	10.0
115.05429	4.0
117.07016	3.6
118.06545	54.8
130.06522	34.3
132.08083	16.2
142.06534	4.7
143.07329	7.0
144.08084	20.9
146.06006	100.0
170.06003	10.3
173.16045	2.1
183.40529	2.1
188.07065	97.9
203.12859	3.4
222.09027	2.6
236.10770	6.1
241.40578	2.1
250.08604	7.2
257.10654	5.6
258.11462	7.3
259.12143	2.3
272.10657	8.1
274.44318	2.4
316.75919	2.2
365.16382	22.7
427.16418	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	445.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41787	7.1
56.96537	28.1
57.07059	13.8
57.96125	9.4
67.05538	8.6
90.31480	11.6
92.58397	10.2
98.97578	22.1
101.93730	9.3
116.98602	26.4
128.98595	14.4
134.99713	9.6
140.00156	23.3
158.01186	12.4
170.01245	11.3
181.02902	28.2
193.02901	9.8
214.36523	10.0
316.24844	10.5
350.02631	9.8
386.17639	12.0
445.18954	100.0
468.59662	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04963	2.8
54.75060	2.7
55.05493	13.2
57.07081	5.0
66.81140	2.8
67.05490	4.6
69.07063	25.3
71.08604	3.6
79.05480	2.9
81.07048	9.8
83.08611	11.0
90.36949	3.0
91.05405	2.9
91.71657	4.4
95.08565	8.4
97.10158	5.3
107.08620	5.0
109.10140	8.0
119.08590	4.2
121.10149	4.2
134.34546	3.4
137.09621	7.8
149.09596	9.5
159.11751	3.7
163.11189	10.2
165.09103	100.0
177.09114	7.0
191.10709	4.5
203.10706	4.3
205.12219	8.6
246.63863	3.8
303.44180	3.5
389.22455	4.0
445.37103	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	445.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05993	0.4
58.06566	0.6
60.07868	1.1
60.08155	21.3
71.04980	31.8
74.62693	0.6
97.67378	0.5
117.19562	0.6
130.12271	100.0
136.94797	0.6
166.04962	0.6
233.95123	0.6
293.90872	0.7
440.52493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70870	6.9
81.03406	12.0
83.04961	14.8
91.05494	12.8
107.04953	100.0
121.06488	31.7
133.04926	13.2
146.06030	16.3
172.03972	9.5
184.07518	11.1
186.05495	30.6
210.05501	10.0
222.09135	13.5
228.06461	11.6
241.68077	10.6
249.07948	13.8
250.08659	35.8
271.05930	44.7
278.08124	33.5
280.09421	11.2
296.09094	12.8
298.10666	12.6
304.09772	13.8
322.10791	18.7
334.10837	15.4
378.09589	18.0
382.12683	56.5
410.12399	32.2
432.50452	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01863	2.5
56.60054	1.2
57.03421	2.7
58.74071	1.1
61.02911	3.7
62.25064	1.1
69.03418	15.8
71.04977	5.8
72.47948	1.5
73.02908	6.0
77.05845	1.1
81.03415	17.1
83.04977	1.2
85.02895	77.9
86.09707	2.0
87.04465	2.2
97.02248	2.0
97.02882	45.6
99.04445	53.2
103.03935	94.0
109.02867	25.4
109.03601	1.5
112.07608	1.5
113.31654	1.2
119.08587	2.5
119.50373	1.7
123.08105	6.4
127.03909	100.0
135.08040	2.0
136.58949	1.5
140.77713	1.3
142.07654	1.4
143.08597	1.8
145.04950	65.8
147.08038	2.2
157.31256	1.4
159.08043	4.8
161.09587	1.9
162.07726	1.4
163.06006	26.7
165.09138	1.8
168.06522	2.0
169.04991	2.8
173.09595	1.7
180.08578	1.5
185.09676	2.0
186.07635	3.9
187.06082	1.9
189.09090	7.4
205.07011	2.2
213.09126	4.7
231.10114	10.5
247.08147	9.8
271.05670	10.9
271.08255	5.9
289.09238	3.0
334.77411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67730	7.1
56.96536	8.0
57.07055	18.9
58.06585	60.5
59.07353	16.4
60.08150	16.5
66.46879	8.0
87.11523	8.8
93.78941	7.8
95.08587	9.9
119.19120	7.9
122.66954	8.8
140.00174	11.7
144.10170	17.2
145.98390	8.4
222.16241	10.1
236.14928	100.0
269.88449	10.3
271.05933	25.7
313.93054	9.8
376.14594	9.5
428.33578	33.1
446.34634	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42980	0.6
62.48886	0.7
77.82827	0.7
81.53175	0.6
91.05466	1.8
119.04964	0.7
137.05952	4.1
147.04373	1.1
149.04720	1.1
156.23398	0.8
164.07056	100.0
165.07405	0.9
169.45015	0.7
178.08621	3.2
200.61453	0.7
271.06006	1.8
428.34775	1.1
441.68811	0.7
446.36224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0918
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.78160	0.5
67.01849	0.9
68.99774	0.6
82.73418	0.5
113.09235	0.5
115.97711	0.6
119.04910	1.9
145.02782	0.6
153.01831	5.4
163.03894	0.9
171.02849	1.0
236.28610	0.5
271.05988	100.0
272.06271	2.0
273.56158	0.5
398.04434	0.5
404.92694	0.6
436.09427	0.7
447.09036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0923
Annotation	Baicalin
Peak:m/z	Relative Intensity
53.41791	0.3
67.01866	0.7
68.99792	0.4
70.06585	1.8
71.43241	0.4
72.08127	0.5
74.06084	0.5
79.66216	0.3
85.02853	0.4
86.09702	1.0
86.92574	0.3
91.05457	0.9
95.36923	0.4
103.03913	0.6
118.53622	0.3
119.04945	2.0
120.08038	0.4
121.02872	0.7
124.50880	0.3
129.01865	0.4
130.44151	0.4
145.02876	0.6
153.01825	4.8
163.03790	0.5
165.29744	0.4
171.02812	0.8
189.23869	0.3
233.14806	0.5
271.05991	100.0
272.06293	0.8
319.56995	0.4
447.09219	2.2
447.18286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51438	17.3
56.96576	16.0
60.04486	19.3
63.36238	17.1
69.03423	21.4
70.06583	100.0
72.08140	71.6
74.06072	28.3
76.41969	18.7
84.04494	22.6
84.08144	27.0
85.02905	27.5
86.09688	99.4
97.02888	23.9
98.97563	22.2
103.90503	17.5
108.16884	19.1
120.08131	60.2
120.31485	17.9
123.04408	59.1
130.14235	17.9
140.00204	18.9
174.28448	21.4
174.33752	22.3
271.06091	46.0
305.90030	33.6
382.57901	23.9
447.10165	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74677	2.9
56.05013	3.9
56.96558	26.6
60.07094	2.7
62.78991	3.2
63.38208	2.7
63.48214	2.8
70.06583	67.0
71.06899	5.5
72.08147	48.3
74.06080	8.2
79.18892	3.0
84.04500	3.5
84.67093	4.3
85.06563	4.6
86.09698	70.4
96.92714	3.3
98.97581	27.1
109.79429	4.0
110.97575	5.2
116.98613	13.1
128.10760	4.3
128.98636	11.8
134.99644	4.6
137.05820	4.6
140.00206	18.2
140.98575	3.7
141.02171	7.1
146.99654	6.3
148.06071	4.8
152.00212	10.0
154.01698	4.7
158.01244	7.9
159.03302	13.3
159.11272	7.9
168.03157	4.0
170.99754	5.6
173.12860	8.7
177.00677	5.3
177.04355	14.9
181.02797	4.9
182.01248	4.8
182.04878	16.2
187.10864	5.2
187.14368	8.4
193.03015	5.8
200.05962	10.6
201.04356	14.1
201.12338	8.8
207.97343	4.1
212.02344	4.9
219.01811	14.7
223.07532	8.3
224.05899	4.7
237.02759	22.9
242.03397	29.5
243.05304	6.4
247.12885	8.9
260.04358	24.2
261.14459	5.0
283.06018	23.2
303.07471	100.0
303.10974	5.1
321.08545	48.6
344.10129	67.6
345.08511	82.7
363.09537	22.4
386.11203	8.3
387.09366	21.2
447.06583	5.5
447.12592	95.8
447.18668	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	51.2
57.76118	4.9
58.99765	6.1
71.14383	4.9
83.13181	6.1
84.04513	6.0
86.09742	8.8
97.99200	6.2
127.40894	5.6
139.01822	9.6
148.52966	5.8
174.02339	15.1
192.03297	28.6
203.07983	5.9
206.04979	6.7
215.04904	55.5
217.06599	21.0
229.06445	9.1
233.06078	14.3
235.07622	9.0
243.04506	8.0
256.07742	13.6
258.09232	22.7
261.05347	29.3
284.07001	100.0
302.08130	16.2
316.06046	8.3
325.09805	27.8
334.40036	6.7
350.22003	7.0
352.16574	7.7
402.11368	16.8
430.10550	9.4
447.13876	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16372	1.5
61.48804	1.7
63.16053	1.5
64.54024	1.5
67.82481	1.7
79.69440	1.9
80.81109	1.7
103.51139	1.9
109.82262	1.8
129.03107	36.7
170.05772	5.2
194.08072	2.2
233.05669	2.3
234.06473	87.6
236.08054	11.2
243.64871	2.0
252.07704	3.3
262.08167	2.1
271.05923	3.9
275.09100	41.1
278.37119	2.0
291.89377	2.1
322.00061	2.2
395.34204	2.5
447.15625	100.0
448.16238	3.7
468.87564	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	12.0
56.96556	30.2
57.16360	10.8
57.35449	10.7
67.05487	14.3
83.09540	13.7
90.66883	10.6
90.91299	12.5
93.07085	12.6
94.22846	10.2
96.92540	11.3
98.97588	36.4
105.07014	18.8
109.98022	12.9
116.98605	30.6
134.99689	27.8
140.00175	45.8
142.76379	12.1
153.01843	14.0
158.01279	36.0
181.02853	70.2
271.06027	38.0
272.77759	13.7
396.59341	14.1
429.19604	100.0
447.20966	16.2
455.43683	13.6
470.22394	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	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00736	2.1
51.17735	2.3
52.79268	2.7
53.91781	2.8
55.05466	3.1
56.05011	3.3
57.07067	100.0
58.99563	9.2
59.04998	4.0
67.05487	9.8
68.61763	2.5
76.00696	3.0
76.02215	20.1
79.05488	3.9
81.07030	4.6
83.08633	3.8
84.04491	77.2
85.27084	3.0
86.99035	5.6
93.07034	6.6
95.08588	41.6
99.08096	7.2
105.00076	8.0
107.07195	3.0
114.97495	2.9
122.02721	60.4
123.08046	37.6
127.05774	9.2
130.04988	12.7
137.13242	3.8
141.09099	43.3
142.03154	15.5
155.05219	9.4
155.14320	7.3
173.06360	6.6
182.11760	5.5
186.02371	3.5
188.03802	6.1
197.15324	63.2
197.16949	4.9
211.11464	15.3
234.04207	3.6
244.09947	6.9
249.05495	5.3
251.06882	23.6
269.13474	4.0
271.05972	87.5
272.06323	4.8
300.16257	53.7
300.19366	5.5
340.88495	3.1
348.24100	3.8
429.20499	10.9
447.21707	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	447.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95993	0.6
54.20912	0.6
56.77698	0.7
79.05487	2.7
84.04430	0.8
85.02885	1.2
86.82990	0.7
91.05473	1.9
93.07037	2.3
95.04958	2.0
103.05472	3.0
104.37742	0.8
105.07027	100.0
106.07381	0.8
107.04964	4.2
109.58379	0.7
116.46300	0.8
121.06502	13.9
122.09663	22.0
122.10552	1.1
130.05020	1.7
130.06520	2.1
132.08031	0.8
143.07326	1.0
144.08102	1.6
146.05960	1.0
146.09666	3.8
156.08173	1.2
158.09702	2.8
160.07645	1.8
162.09161	1.8
168.08148	1.2
172.07610	1.0
173.08363	1.3
174.09184	0.9
186.09163	5.5
224.10646	0.8
232.09712	2.8
234.11241	50.0
244.97485	0.8
271.06027	4.5
280.13284	21.4
315.33801	0.8
326.13818	8.5
341.45456	0.8
390.52988	0.9
396.93091	0.9
401.22159	2.2
447.22775	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	447.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53207	2.1
55.05503	6.0
56.05017	3.8
67.27263	2.6
70.06573	11.5
72.08145	65.5
74.06069	14.0
84.04491	6.6
84.08146	3.9
86.09693	100.0
88.03970	2.9
93.53558	2.8
101.07122	5.9
105.68542	3.1
128.10707	9.3
129.90590	2.9
173.12834	10.1
183.11316	5.1
183.89146	3.2
187.14410	16.4
197.12788	3.1
201.12354	9.0
215.13950	4.3
228.97998	3.5
247.12880	25.5
296.19754	9.4
438.65646	3.1
462.28976	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3467
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
57.07056	16.1
71.08619	8.2
74.88972	5.5
76.26700	4.5
78.82539	4.7
80.48978	5.3
91.71646	12.0
99.00806	9.6
101.62901	5.3
102.58887	5.5
108.02947	5.0
125.06064	6.2
125.07117	5.8
153.05536	7.8
181.04898	11.1
191.56747	6.0
195.06554	35.6
209.08086	19.6
222.07675	7.0
223.09717	17.2
224.58301	6.8
228.52150	5.6
237.11308	12.9
251.12804	8.3
253.41762	6.3
271.06039	14.6
318.95941	5.7
383.71735	6.5
409.39899	6.4
447.34692	100.0
461.82593	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.1
57.06802	3.1
57.07068	44.3
59.64840	1.5
69.07052	5.4
70.90073	1.8
71.08248	2.6
71.08620	33.9
72.11065	2.1
73.06543	3.2
75.82928	1.7
82.98999	2.1
83.08611	6.4
85.10172	18.5
87.04467	2.5
89.06022	100.0
97.10159	5.5
107.07077	5.2
111.11701	2.3
130.08635	18.5
133.08609	33.1
151.09608	4.4
177.11285	3.1
195.12277	19.5
233.88521	2.5
354.81506	2.1
447.40628	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	448.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.3
56.96554	44.0
70.06594	16.5
75.71722	12.1
77.84865	13.1
80.66437	20.7
81.07062	19.2
82.70264	14.2
84.04499	15.2
89.15173	13.3
91.05479	15.5
93.07017	17.4
104.03447	16.0
137.00883	17.3
146.04449	16.6
271.05966	35.5
272.06104	100.0
319.12173	30.6
337.13367	22.6
342.13492	30.3
360.14758	61.6
386.16507	50.5
402.15714	24.7
427.19141	40.0
430.15488	19.8
448.16528	47.9
471.17987	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	448.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	78.9
76.68528	13.3
84.04467	17.5
84.71288	14.2
85.55911	12.6
105.62759	15.1
105.76001	15.9
107.02904	14.9
145.61542	15.3
152.93132	15.7
155.05443	15.1
157.60699	15.7
158.01332	16.2
181.02818	25.2
199.28018	16.7
210.52271	18.2
271.06009	25.2
272.06473	43.1
309.42661	18.3
311.13998	19.6
316.64172	17.0
319.12170	55.4
337.13342	21.7
342.13867	57.2
346.22501	17.1
359.16068	25.5
360.14731	100.0
383.16376	21.2
386.16388	55.2
402.15500	30.5
404.17099	21.3
409.18527	20.2
427.18887	55.5
430.15176	42.7
448.16214	99.8
471.18015	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	72.3
69.03415	2.7
85.02890	6.9
88.03981	15.0
97.02885	2.6
106.05021	100.0
112.42120	1.1
127.03929	5.2
143.18506	1.1
145.04948	3.5
163.59685	1.2
189.29836	1.0
243.45808	1.1
461.26776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81499	1.6
53.93564	1.3
56.05011	2.5
63.56851	1.7
70.06580	5.3
73.48516	2.0
101.92924	1.7
104.05026	2.2
105.03361	4.8
105.54337	1.8
111.05543	9.2
113.07121	2.4
120.04456	19.4
124.07751	1.7
126.06635	14.3
127.07342	2.0
132.04439	32.4
134.06010	12.8
146.02264	1.9
151.06158	14.1
168.08784	3.9
185.07024	2.3
188.60500	2.1
202.09744	19.6
216.11374	6.3
219.95012	2.2
230.09149	13.7
232.10817	7.0
242.09219	4.6
251.84795	2.3
257.10330	6.5
259.11874	100.0
284.11420	5.6
287.69989	2.2
301.14078	7.3
302.12448	38.3
319.14963	3.4
406.17197	15.1
430.18414	2.7
448.19379	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	448.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39248	8.7
54.25497	6.8
54.50633	7.3
55.93005	8.6
62.24556	10.1
62.72081	8.5
70.06573	37.5
72.08148	10.3
75.21416	8.0
75.50277	7.7
78.12943	8.0
82.20967	9.4
84.08154	15.8
86.09701	34.6
91.05469	16.2
91.70994	14.6
100.85310	8.8
114.37341	9.1
120.38210	10.0
124.84695	10.2
143.15822	11.2
193.59018	9.2
222.12123	10.6
240.24860	12.0
250.13786	9.8
350.00241	10.2
370.83099	10.9
448.19315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07898	4.9
70.06567	12.1
85.46907	4.8
86.09684	8.2
89.99258	6.4
91.71649	6.1
116.45710	5.7
137.25421	6.7
294.56689	6.5
301.14008	9.7
319.15097	10.2
329.61020	7.0
385.08899	6.9
448.19385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33092	2.9
57.07061	11.3
58.06569	3.4
66.90257	3.5
66.90668	3.1
67.10581	2.8
69.32316	3.8
70.06584	26.9
71.08615	6.8
77.49972	3.8
78.34686	3.3
78.72903	3.2
80.18944	3.6
86.06112	3.2
88.07623	36.9
92.97769	3.3
102.09174	23.5
104.02590	8.4
104.71612	3.5
107.99670	3.7
132.02077	15.1
136.01559	9.0
144.06841	3.8
147.04424	37.7
148.05151	5.6
175.03885	52.9
176.04555	3.8
180.04112	10.4
191.06940	5.0
219.06506	100.0
256.26312	63.6
276.46115	4.1
365.26859	4.3
393.90939	5.6
448.30554	99.4
449.30505	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	448.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87732	9.2
51.51363	10.2
55.05495	20.1
57.03431	38.6
62.90769	11.4
67.05503	22.5
69.07056	38.9
81.07030	45.3
83.08589	25.4
85.19174	10.2
87.68086	11.0
91.99405	13.5
93.07082	15.6
93.12460	12.0
95.08609	39.8
97.10177	30.5
109.10104	12.7
114.99383	10.7
117.05489	100.0
121.10163	18.6
135.11746	16.8
142.06551	13.2
152.90834	12.3
156.35365	11.7
159.06549	33.0
167.09528	11.7
177.05449	25.9
205.51248	14.1
222.06174	13.1
237.22137	32.0
310.46671	12.7
311.25906	34.5
353.26880	66.7
371.27881	15.7
377.75018	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	449.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74835	5.6
57.07072	39.3
65.03928	11.3
66.19274	6.0
80.41956	6.3
83.04972	100.0
91.05507	8.9
98.98412	9.1
110.99222	6.3
135.70406	6.8
143.30127	6.7
147.11693	12.6
151.01506	9.3
163.01596	7.2
175.01691	8.4
179.04935	6.9
260.99591	10.2
298.48434	7.6
337.02237	56.6
337.97638	8.5
393.08569	64.4
447.81488	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	449.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50799	3.0
55.05495	7.1
57.07067	38.4
65.03918	9.5
81.03405	3.8
83.04969	100.0
85.02851	3.1
91.05465	11.5
98.98418	5.9
118.34886	3.3
128.68953	3.5
131.48216	3.4
141.06969	6.1
147.11665	6.9
151.01543	5.7
155.94994	3.5
163.01541	4.1
175.01535	11.7
236.14085	4.4
337.02325	57.0
378.05002	9.8
393.08600	74.6
399.04959	4.0
434.11212	12.0
449.14789	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66299	1.0
64.74567	1.0
70.22349	1.1
96.53574	1.1
111.04190	2.9
127.03659	3.8
162.31833	1.3
164.77019	1.1
171.06233	1.5
179.32921	1.3
190.59552	1.4
199.09467	1.9
215.09097	1.5
286.42566	1.4
290.09390	1.5
292.49609	1.2
337.16165	2.1
449.28711	100.0
450.28976	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	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25232	2.2
55.91072	2.5
69.07033	2.9
79.38728	2.3
85.01276	2.5
85.06506	2.5
89.03899	6.1
94.85305	2.4
99.50101	2.3
101.49550	2.7
117.03368	18.6
127.06982	2.6
135.04446	4.0
145.02869	25.6
149.06033	7.9
157.43831	2.8
158.06004	4.3
158.13942	2.7
163.03877	3.8
177.05458	100.0
182.24686	2.4
186.05452	16.4
195.06516	15.6
310.91376	3.1
334.20908	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	450.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.9
57.03435	0.8
65.03918	1.5
69.03430	4.0
70.06592	1.8
71.04985	1.1
74.15477	0.9
81.03430	4.8
85.01112	1.6
85.02899	15.3
97.02885	5.1
99.02665	1.8
99.04458	9.8
103.03944	9.2
109.02879	5.4
113.02978	2.8
126.03742	14.9
127.02985	1.0
127.03907	15.0
144.04782	100.0
145.04930	4.1
186.05867	1.5
450.14261	15.7
468.44507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33972	7.2
57.07040	13.9
58.06567	10.4
59.77888	8.5
65.83765	7.9
70.06580	34.2
86.48751	9.1
91.71636	9.8
94.87634	9.1
109.35894	9.4
116.23499	10.9
122.53719	9.8
300.28931	32.3
344.31552	24.7
418.27835	13.7
427.16013	12.6
450.37863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05412	1.6
56.96560	2.2
65.17498	1.5
68.55676	1.6
79.31879	1.5
91.70972	1.9
116.03492	1.6
238.98271	1.8
309.00470	10.1
327.01730	8.4
345.02792	52.5
350.03256	30.5
363.03802	11.0
368.04404	73.0
369.04800	3.0
386.05341	7.9
391.05997	100.0
392.06223	7.7
409.07016	3.8
410.05356	15.0
428.06732	3.2
451.07849	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1573
Annotation	AN-7
Peak:m/z	Relative Intensity
53.37247	2.3
69.94707	2.5
70.59728	2.2
88.27897	2.2
88.96003	2.3
100.71780	2.8
109.50666	2.1
126.11131	2.7
135.54666	2.2
145.93550	2.4
161.81494	2.4
185.04153	2.5
224.38750	2.2
226.66388	2.7
389.15759	5.8
451.15732	100.0
457.63315	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49710	4.3
57.07047	5.7
60.04485	4.7
67.05489	21.4
69.03445	12.7
69.07056	15.2
81.03421	13.4
81.07027	6.6
81.47684	5.6
84.04488	6.0
85.02896	73.4
86.09713	12.3
91.05441	6.5
91.70986	10.3
91.71607	20.4
97.02895	24.0
99.04438	51.2
103.03938	94.6
107.36796	5.6
109.02914	9.4
109.10140	82.0
127.03908	100.0
127.10359	6.9
127.11155	32.7
140.10696	9.2
145.04947	41.1
145.12254	14.3
163.05998	45.8
165.01711	6.5
168.10178	6.1
181.83067	7.4
209.16389	7.8
304.14334	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	451.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	42.4
64.77756	1.7
71.95281	2.0
72.96053	1.7
77.14338	1.7
81.07058	2.2
97.96810	2.4
97.99189	4.0
115.34583	1.6
116.00258	3.3
119.67274	1.7
127.74500	2.0
128.98636	4.0
139.01872	2.4
146.99651	4.6
152.00244	2.5
193.02841	2.6
212.63663	2.2
317.17841	74.4
335.18817	21.9
358.20483	100.0
359.20984	5.4
391.21552	18.8
394.87625	2.1
399.22968	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	451.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70059	3.2
56.96562	49.1
73.02677	3.3
73.89094	3.7
75.15711	3.4
91.05461	3.8
91.71705	7.2
92.77589	3.0
110.97579	3.3
111.72784	3.8
144.56212	3.3
147.71532	3.5
150.65277	3.6
151.07558	3.7
152.00183	4.0
164.21568	3.1
173.19519	3.2
178.37589	3.9
180.43633	4.9
184.88388	3.5
317.17816	58.9
335.18887	20.0
358.20502	100.0
391.21521	16.1
399.23111	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	452.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05441	2.8
51.40602	2.7
58.51645	2.9
61.36389	2.9
70.06568	12.4
71.56635	2.8
72.08144	17.3
72.85711	3.8
82.20994	2.9
84.04454	5.1
84.08170	3.1
85.02901	7.3
86.09681	9.6
92.93955	3.0
99.04449	4.3
103.03920	4.6
111.08070	10.7
121.02757	3.9
123.25349	3.9
129.10237	4.6
132.08138	4.2
143.21620	3.5
196.09874	7.4
197.10765	16.2
210.07861	6.3
211.08630	14.0
211.12263	6.0
212.09457	12.6
215.68362	3.9
223.08673	4.4
224.09473	12.3
225.10205	46.3
239.11743	11.8
251.08189	5.4
251.11711	9.1
253.09755	18.5
267.11258	58.0
283.10907	6.0
284.11490	4.3
285.12354	39.4
295.10773	44.7
313.11783	100.0
469.41742	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91531	13.8
55.05488	21.2
59.68303	18.4
60.64556	17.4
62.06071	27.2
68.28870	18.4
68.43614	19.1
72.95988	19.1
80.29060	16.9
81.07039	21.4
83.08572	18.9
97.11891	20.0
98.98424	21.2
104.10749	31.6
108.88323	19.0
113.84015	20.6
118.42146	19.3
151.93417	21.5
169.52101	25.0
228.87862	20.8
256.82965	21.8
311.25732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62857	10.8
55.05510	17.9
57.07062	11.3
67.05494	80.6
69.07037	12.3
71.08642	10.2
79.05491	48.5
81.07050	56.9
83.84027	10.7
89.06035	62.3
91.05463	100.0
93.07045	64.0
93.58282	10.9
95.04948	14.6
95.08596	50.8
95.57893	12.2
99.04440	35.0
105.07021	40.4
107.08576	20.3
108.48316	13.1
109.10152	19.9
117.06999	65.5
119.08609	35.8
121.10135	27.0
129.07030	34.1
130.08687	14.7
131.08560	72.1
131.99373	14.4
133.08620	45.3
133.10199	19.5
135.11707	12.5
145.10139	22.1
154.32024	12.4
157.10103	15.3
159.11708	15.3
173.13295	15.2
174.77545	12.2
183.11667	18.6
187.14929	14.9
201.16444	39.1
267.21213	25.4
296.85184	13.8
329.24756	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	453.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
91.57945	6.5
100.11279	8.3
144.51311	6.6
150.65575	6.2
277.57224	9.5
453.16629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76023	42.1
58.16986	47.9
80.08930	56.8
81.07036	65.1
91.71063	65.3
99.19753	52.2
100.11256	100.0
100.34054	51.7
105.52476	64.6
120.98885	52.6
128.89449	71.5
142.49463	57.2
151.40878	57.9
255.11646	82.2
270.01862	69.2
384.99805	74.0
453.16916	70.2
453.35165	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	12.5
72.08151	8.1
75.41692	6.8
81.23293	7.0
85.02904	12.6
88.78699	7.5
97.66175	6.8
100.20602	7.5
103.33533	7.9
107.07325	16.0
108.08127	18.5
110.88850	7.4
131.93475	7.2
136.07526	10.5
154.08488	16.8
228.10251	8.0
245.12794	53.2
246.11267	8.3
291.13303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20649	1.8
53.03932	2.7
55.05494	2.0
56.97593	1.6
61.02911	3.0
62.37226	1.8
69.03437	12.0
69.07047	9.1
69.13103	1.9
70.06590	2.6
71.04986	3.1
73.96758	2.0
77.08471	1.7
78.55626	1.7
81.03399	16.3
85.02895	81.5
86.09707	2.5
95.92007	1.9
97.02888	18.7
99.04445	44.7
100.11244	6.1
103.03934	98.5
109.02873	16.6
127.03906	100.0
136.40366	2.0
145.04958	45.5
163.06015	35.8
169.75992	2.2
177.66048	1.9
186.07591	3.2
187.05994	6.7
205.07118	2.5
271.08054	2.5
289.09091	2.7
307.10220	5.0
446.64114	2.3
453.34250	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	453.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42936	2.4
57.07064	4.5
67.05476	3.4
69.89556	2.7
71.08611	3.3
81.07052	4.6
83.36232	2.9
83.41438	2.9
84.90608	2.9
95.08604	9.7
100.11245	5.1
105.84079	3.1
125.64609	3.2
141.80417	3.7
228.52693	4.3
299.21887	3.7
323.07062	4.4
337.23596	7.5
339.65375	3.9
393.26154	15.6
431.05508	4.1
453.28278	100.0
453.34195	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05505	11.8
55.49100	0.4
57.07059	1.0
58.06562	0.4
60.74019	0.4
62.38585	0.4
67.05499	0.9
69.07043	1.0
70.06578	1.0
72.71648	0.4
79.37764	0.5
81.07063	0.9
82.06575	4.8
83.04968	1.7
83.08607	16.5
84.08121	0.9
85.06538	1.0
86.90096	0.4
92.44083	0.5
97.27763	0.4
98.09676	2.8
100.07607	5.4
100.11246	100.0
101.11600	0.7
107.08662	0.4
110.06037	2.7
111.04427	9.8
111.21450	0.3
112.07597	2.2
112.11260	1.1
117.13889	2.4
126.09161	1.5
127.08647	2.7
128.07060	5.9
129.05354	0.4
139.08659	4.2
140.07086	3.0
147.11716	0.5
149.13306	0.4
163.64847	0.5
164.14346	0.6
166.15904	0.6
182.15396	25.3
192.13849	1.4
209.16461	23.6
210.14874	24.0
226.19127	6.8
227.17545	1.9
228.15967	1.9
308.27039	1.2
310.11270	0.4
326.27951	3.0
335.24414	0.8
336.22717	3.2
356.32285	1.2
413.64529	0.5
435.33252	18.3
453.34314	79.3
454.34650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.8
57.07064	11.9
60.08147	22.8
67.05492	22.6
69.07064	11.3
70.06580	12.8
80.90349	11.0
81.07038	49.5
83.08566	12.0
95.08616	19.0
100.11250	18.2
136.03531	12.1
210.18489	100.0
227.21240	31.1
395.37714	12.8
453.36697	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01854	0.8
63.07205	0.6
65.03915	2.8
67.05484	1.0
70.02937	1.8
70.06568	0.7
70.32716	0.6
74.40940	0.6
77.03914	0.6
79.05486	1.8
80.04990	0.7
80.68223	0.9
89.41499	0.6
91.05471	19.8
91.24077	0.6
93.03362	1.1
93.07034	3.2
94.06569	0.7
95.04960	3.8
103.05482	3.7
105.03378	4.8
105.04478	1.6
105.07059	1.4
107.04946	26.7
108.04457	0.8
109.02795	0.7
110.06038	1.6
115.05449	1.9
117.07045	0.9
118.04186	0.8
118.06464	0.8
119.04954	4.4
120.04451	1.2
120.05717	2.6
121.06496	12.6
122.06021	1.9
123.04433	0.8
124.04001	1.2
128.06232	1.7
129.06992	3.0
131.04916	2.9
133.06487	1.1
135.04388	0.9
136.03915	5.9
137.05931	0.7
139.05399	1.4
141.06972	3.1
142.07762	2.0
144.05743	1.1
144.08061	0.9
145.06448	1.6
148.03920	2.6
149.04704	2.3
152.06239	4.0
153.06958	3.6
154.06528	2.1
154.07693	1.6
155.04973	1.1
155.07210	0.7
155.08569	1.2
156.08049	1.8
157.06441	2.2
157.08853	1.0
157.10095	0.9
165.06953	5.7
165.09128	0.7
167.07291	1.5
167.08582	2.7
168.05739	0.9
168.08018	4.6
169.06586	3.4
169.08833	3.7
169.29936	0.7
170.07196	1.3
170.09654	1.4
171.08064	2.3
172.07576	0.9
179.07210	1.1
180.05713	2.8
180.08061	6.9
181.06456	4.5
182.07292	1.2
183.08037	3.2
184.07556	3.1
185.08325	2.2
194.07314	1.5
195.06544	0.8
195.08134	5.0
196.05173	0.8
196.05501	0.9
196.07536	13.5
197.06079	3.8
197.08234	5.0
198.06854	1.6
198.09155	3.2
199.07545	15.8
200.07028	0.9
208.07553	1.6
209.06076	0.9
209.08313	1.1
210.06987	1.2
210.09174	1.1
211.05765	1.4
211.07571	17.7
212.06987	5.3
212.08421	4.6
213.09192	25.2
214.08678	0.9
224.07060	4.9
225.07841	9.8
226.08525	4.0
228.06517	2.8
238.08777	1.0
239.10643	1.4
240.06549	3.4
241.07304	32.6
242.08058	6.1
254.08115	7.0
255.08911	3.5
268.09796	1.5
306.11288	0.9
317.11353	1.1
318.11276	2.4
319.13251	13.2
320.12949	1.1
330.11432	0.9
347.11575	1.2
348.12238	2.9
398.17432	1.8
404.41669	0.8
408.15967	6.2
426.17050	10.8
436.15451	12.3
437.14169	1.4
454.16434	100.0
455.16849	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	454.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42777	5.2
55.16661	4.5
65.53364	6.6
65.57927	5.4
73.96162	5.4
76.02675	5.4
84.91724	5.4
91.05447	19.2
100.11273	7.3
107.04952	18.4
112.58554	6.3
126.68202	6.2
171.71098	7.3
180.08186	7.3
181.06538	9.3
196.07607	11.1
211.07570	13.6
213.09119	26.3
221.54019	6.9
221.57272	7.1
225.07733	7.7
237.07646	8.3
241.07349	25.8
254.08409	7.2
263.36349	7.5
403.56729	8.4
454.16541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.0
55.05492	8.8
56.08021	2.3
61.01132	5.3
62.29179	2.8
63.06340	2.4
66.59125	2.9
68.14771	2.2
70.06583	7.8
76.02209	11.5
78.03777	5.2
81.09848	2.7
83.08595	9.4
84.04472	4.4
88.02234	2.7
100.11247	100.0
101.11597	12.4
102.03751	12.0
109.00506	2.8
113.31094	2.9
114.03719	20.3
126.05536	4.2
130.03220	6.0
132.04739	2.9
136.07530	3.1
142.08582	5.0
149.07449	16.1
158.02751	5.1
209.16475	9.9
227.17537	59.9
228.17799	15.1
324.10437	48.7
436.15659	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	454.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.2
56.66829	7.5
69.48947	6.5
70.71973	7.1
82.06583	11.8
83.08593	9.0
84.04511	10.6
85.02896	10.0
91.71619	12.3
100.11247	41.4
104.43263	8.9
119.04939	51.2
123.04433	35.3
147.04402	60.9
154.01346	8.7
210.14990	12.6
210.65846	8.9
213.93858	9.7
216.46773	9.5
257.08051	100.0
275.09012	14.0
317.02618	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	454.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42160	0.3
53.03933	0.7
55.01860	0.5
57.03437	1.3
61.02915	1.4
61.30409	0.2
62.29122	0.2
65.03928	0.8
67.33888	0.2
69.03081	0.4
69.03419	5.2
70.06577	0.4
71.04973	0.8
73.01206	0.2
73.02882	0.8
75.89112	0.3
78.04776	0.3
79.05487	3.2
79.67105	0.2
80.16693	0.3
81.03410	2.6
81.07047	16.5
83.08618	0.3
85.02897	18.4
86.09708	0.3
90.61950	0.2
91.03931	0.6
91.05475	5.5
94.04212	0.6
94.33659	0.3
95.04967	0.7
97.02877	5.3
98.06033	0.3
99.04427	1.0
100.11260	0.7
103.05464	1.4
105.07018	5.7
107.04959	2.7
107.08565	0.3
109.02858	2.3
109.06511	17.3
118.04160	1.2
119.04968	1.9
120.05711	0.9
121.06474	1.1
122.07295	0.5
123.04509	0.3
123.08082	0.2
124.05206	0.5
126.05476	0.3
127.03896	2.8
131.04909	0.5
133.06491	3.8
134.07280	2.9
135.04436	2.3
135.08038	2.0
136.05223	0.6
137.05969	100.0
138.06322	1.2
139.07539	0.6
145.04971	2.2
146.07260	0.3
150.06750	21.3
151.06223	0.4
151.07535	30.1
165.09097	97.5
166.09441	1.1
178.08629	1.5
180.08698	0.5
203.07045	0.3
270.35071	0.3
275.12750	60.5
276.13086	1.3
287.79016	0.3
292.15445	1.7
319.76480	0.3
453.34372	0.4
454.34366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.05504	1.8
61.02910	2.1
69.03428	13.6
70.06558	1.8
71.04980	5.1
73.02920	2.2
81.03429	13.7
85.02897	75.5
97.02886	27.8
99.04449	42.7
99.38740	1.9
103.03938	100.0
109.02869	16.4
113.09639	10.6
122.94739	1.7
127.02960	4.4
127.03913	89.1
131.10683	8.6
136.99194	1.9
145.04948	57.8
163.06007	53.9
168.06706	2.0
186.07669	3.6
187.06017	3.8
205.07077	2.7
271.08136	6.6
289.09155	6.5
307.10168	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	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
58.07661	2.2
60.56908	2.3
61.02917	2.5
62.50855	2.0
69.03418	14.6
69.30247	3.0
71.04976	5.1
71.61176	2.5
72.70934	2.2
81.03426	15.2
82.69707	2.2
84.18858	2.4
85.02897	80.8
94.35977	2.2
97.02885	18.2
99.04445	48.6
103.03939	91.4
109.02866	14.5
113.79360	2.8
123.82742	2.9
127.03911	100.0
129.57372	2.5
145.04961	48.0
163.05997	39.9
187.06004	4.6
271.08121	8.4
307.10126	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	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.07025	1.4
55.05492	2.6
57.03415	5.2
57.06798	2.3
57.07066	32.9
62.05787	2.2
62.06080	34.7
64.00477	1.7
67.05484	5.6
69.07058	4.5
71.08615	24.4
74.07749	1.6
74.42877	1.7
81.07047	5.2
83.08591	4.0
85.10167	11.2
89.21642	1.7
95.08594	12.9
97.10133	2.5
98.98460	6.7
109.10146	7.6
123.11745	2.9
155.01033	7.1
155.10527	1.8
216.06198	3.9
239.65114	2.0
247.65448	1.9
282.27859	7.8
313.27304	100.0
393.24008	5.5
436.27835	2.3
454.28961	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09507	4.6
53.24641	4.2
53.30393	4.2
57.07067	44.0
71.08605	25.5
73.06523	5.6
81.07032	6.1
85.10164	20.1
88.74427	4.7
89.06020	100.0
130.08646	26.4
133.08572	41.9
177.11229	9.9
283.17499	9.5
437.34674	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	455.1491
Annotation	Pallidol
Peak:m/z	Relative Intensity
73.46816	27.3
74.12451	29.9
91.05463	55.8
91.50284	29.7
107.04961	58.6
109.02864	49.2
113.10131	29.8
123.04418	87.9
139.95979	29.6
149.48000	32.5
150.01579	30.0
153.17395	31.4
169.06496	64.6
195.08067	38.6
197.06001	74.1
211.07542	61.2
213.09192	96.8
215.07016	81.0
241.08615	100.0
279.57779	30.3
361.04678	42.1
427.15308	63.8
455.14249	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	455.1487
Annotation	Marchantin G
Peak:m/z	Relative Intensity
53.03450	14.5
62.07961	13.5
67.05484	14.5
74.07169	16.2
74.84994	12.5
79.89835	13.5
91.05456	25.1
99.66029	14.4
107.04939	24.9
193.28732	17.7
198.26135	15.3
211.07494	29.7
213.05382	16.8
221.95583	21.9
226.06204	82.5
227.06956	41.9
229.08614	60.5
281.45917	15.6
455.14740	100.0
455.38226	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	455.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53217	3.9
62.57235	3.4
66.18764	4.0
72.62144	3.8
91.05477	5.6
99.61817	4.7
107.04967	13.5
138.02708	5.0
150.47707	4.0
153.21141	4.8
181.06467	12.6
198.68642	4.1
213.05402	6.1
213.09167	10.2
227.06949	12.9
241.04962	5.4
242.05704	8.3
255.06485	100.0
344.40582	4.6
424.48233	4.5
444.99908	4.8
455.14865	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92837	0.9
55.05501	1.9
65.96145	1.0
71.10860	1.0
76.93279	1.1
84.11073	1.3
85.04938	0.9
89.03905	7.6
94.22953	1.1
100.11254	3.1
102.03754	1.1
103.15443	1.1
117.03366	16.2
117.41878	1.2
128.33900	1.1
134.03600	1.9
135.04388	2.5
145.02837	30.5
149.05995	6.1
149.07469	2.8
158.06021	4.9
163.15939	1.3
177.05457	100.0
186.05481	21.4
248.09151	6.4
261.12573	5.8
325.12131	10.3
437.17346	5.9
455.32803	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	455.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87380	15.8
70.06582	17.5
71.64381	15.2
89.06976	18.1
91.05462	55.7
93.07040	23.7
95.04916	22.2
105.07047	47.4
107.04948	59.6
117.07066	19.1
117.78082	16.4
121.06508	64.7
135.08040	87.4
137.05942	28.4
141.29492	17.2
153.06944	25.7
181.06546	29.3
209.06071	23.9
211.07701	42.1
225.09120	25.2
227.06989	100.0
228.07945	24.9
229.08684	38.8
237.09012	25.0
238.09869	30.6
241.08549	28.4
253.12170	25.5
264.77472	19.9
333.11340	22.8
400.94131	21.7
454.21768	23.9
455.18616	59.7
455.31860	20.7
455.38022	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	455.1851
Annotation	Marchantin M
Peak:m/z	Relative Intensity
50.46988	3.8
57.15448	4.9
60.08146	9.2
63.83372	4.8
64.57847	4.4
65.03897	11.5
67.05484	4.8
70.06563	9.8
70.86616	4.2
72.36118	4.3
77.03938	5.4
77.86161	4.2
79.05488	8.5
81.07021	9.5
91.05471	100.0
91.06030	5.9
91.71087	7.5
93.07038	12.7
94.04134	6.5
95.04975	28.3
95.08582	6.2
98.17545	5.1
103.05468	21.9
105.07023	20.7
107.04944	68.1
109.02892	10.9
109.14242	5.7
114.05502	9.1
115.05463	6.3
117.07001	9.4
119.04933	33.6
120.05714	37.1
121.06497	86.7
121.29626	4.6
129.06976	5.5
131.04881	13.1
133.06485	17.2
137.05963	94.1
137.06949	7.6
145.06473	7.6
149.06030	5.8
150.06792	5.5
151.07521	34.8
152.06215	8.4
152.98155	6.0
153.06990	6.1
165.06979	26.7
167.08553	15.0
168.05666	13.5
169.06494	6.2
181.06436	25.4
182.07253	9.7
183.08073	18.5
194.07187	13.0
195.08072	25.8
196.05226	18.9
197.06029	17.8
197.09607	6.7
198.06764	8.8
199.07506	36.9
208.08926	6.8
209.05997	8.7
209.09680	17.1
210.06691	15.8
211.07507	85.0
212.04698	11.1
212.08333	22.9
213.09097	61.1
214.06213	6.6
214.09361	7.3
217.12065	6.4
223.07513	18.1
224.08252	15.7
225.05536	9.0
225.09082	64.8
226.06151	9.8
226.09811	38.9
227.06992	30.8
228.07593	8.1
229.08665	7.6
237.09163	9.2
239.07031	14.2
239.10744	10.2
240.07773	11.3
241.08609	23.3
242.09367	12.9
243.10136	17.2
253.08549	11.8
254.09381	26.3
255.10138	20.3
260.86221	6.1
269.11774	23.0
307.06329	5.7
317.11551	8.4
319.13251	46.3
331.13092	8.5
349.14288	7.4
361.14362	12.6
362.14981	25.8
405.10751	5.9
423.15750	14.7
437.45013	6.8
455.18381	99.4
455.38342	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	455.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
53.94544	2.3
55.05485	7.3
57.07053	6.0
57.80410	2.2
63.66302	2.5
64.69576	2.6
67.05489	12.8
69.03413	8.2
69.07057	23.2
71.04984	5.9
79.05501	8.2
81.03417	8.5
81.07040	45.8
83.08614	8.9
85.02892	11.3
85.32022	2.7
91.05463	12.3
93.07028	53.2
95.04945	4.4
95.08587	19.4
97.06538	4.4
99.04445	32.2
103.03920	9.1
105.06998	14.8
107.08583	100.0
109.02890	7.6
109.10146	17.4
111.08085	3.4
117.08638	2.7
119.08557	6.5
121.09269	4.1
121.10134	82.2
122.10334	3.0
123.08035	4.6
123.11697	97.1
123.12590	5.8
125.09473	2.8
127.03905	77.2
128.99182	3.1
134.34341	2.9
145.04933	4.7
147.11659	15.7
149.13232	55.6
159.11684	3.4
167.14297	21.5
257.15298	5.7
271.08066	3.8
275.16504	4.7
281.18271	3.6
291.51550	3.5
318.87241	3.1
335.18594	7.6
338.74585	3.3
455.22696	8.2
456.81384	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	456.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51292	11.3
58.99569	13.9
70.06576	44.8
71.55724	12.8
72.08139	14.8
75.60801	12.5
76.02224	20.8
127.03868	16.7
136.07591	22.0
192.52893	18.4
229.09741	47.8
241.09654	22.0
241.80379	18.7
243.11304	23.8
255.11343	24.8
257.09171	38.0
271.10831	20.9
301.11777	29.7
317.11539	20.7
420.12054	100.0
421.10770	21.4
438.13205	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79273	4.4
51.87246	5.0
52.86453	4.4
53.30857	6.2
65.03931	5.9
69.95300	5.1
81.07055	8.3
83.19857	6.0
91.05504	27.2
96.26868	6.4
98.27046	5.6
107.04981	22.9
118.56946	6.2
123.04442	8.5
123.52903	6.1
140.65166	5.9
144.45015	6.2
148.90643	6.3
159.43065	6.3
169.37822	6.7
181.06442	6.2
186.84291	6.8
199.07535	8.0
213.09129	86.9
226.06253	48.6
227.07170	20.8
283.04782	7.2
419.93820	7.5
439.15286	100.0
455.38434	8.1
456.39056	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	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.3
57.07064	30.3
67.75449	2.6
69.07050	7.3
70.06581	22.6
70.21648	2.6
71.08618	14.6
80.32338	2.4
81.07055	4.7
83.08630	4.4
83.60538	2.6
85.10163	7.8
88.07620	31.0
91.03310	2.9
95.08600	7.2
102.09183	17.8
163.81673	3.6
200.20076	60.2
218.21138	6.3
219.30756	3.3
283.26282	66.1
341.65857	3.8
456.44064	100.0
457.34860	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	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60488	1.9
51.20931	2.3
51.49174	2.5
55.05518	2.6
57.06835	2.6
57.07065	26.2
57.95109	2.1
58.06599	2.7
58.82333	1.9
66.91324	1.9
67.05486	4.1
69.07061	5.0
69.77787	2.0
70.06591	23.1
71.08614	14.6
71.89053	2.1
73.02905	2.7
75.34374	2.0
81.07034	2.9
83.71554	2.3
85.10164	4.2
88.07621	28.0
95.08601	3.8
97.10136	2.2
102.09179	18.8
103.27448	2.4
200.20093	63.2
208.53569	3.1
213.56624	2.4
218.21278	3.3
283.26285	70.3
406.15573	3.0
456.44052	100.0
457.25589	8.7
457.34924	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	457.1116
Annotation	FMN
Peak:m/z	Relative Intensity
53.03931	8.6
55.05509	2.3
57.03442	15.8
59.04987	5.3
62.18594	2.6
66.82355	2.3
68.93114	2.8
69.03419	33.8
69.19886	2.8
69.83635	2.6
70.06576	11.4
71.04975	19.2
72.08150	3.3
73.02911	6.2
79.05446	3.0
81.03406	42.7
84.08134	6.4
84.52650	2.5
86.09702	3.1
87.04486	4.1
95.72787	2.8
98.98454	24.8
99.04459	21.3
107.04936	9.7
112.57184	2.7
117.05508	13.2
129.10251	5.3
140.01006	4.4
142.25345	3.6
144.51422	3.2
145.07536	5.7
147.09155	4.5
159.09161	6.8
170.07150	3.7
172.08702	47.7
173.07109	6.6
175.08658	8.1
184.08656	3.4
186.10410	3.4
191.65755	2.9
198.06651	16.3
198.10243	5.3
200.08258	3.7
214.09698	3.2
216.07649	29.4
218.09248	5.0
219.07625	3.2
224.11807	3.9
243.08752	68.6
244.07201	4.0
251.09515	4.6
295.67529	3.5
323.11636	5.2
341.12402	9.9
359.13443	51.0
377.14352	5.5
396.09711	11.1
414.10553	16.4
421.09290	7.5
439.10147	100.0
440.10153	4.3
457.11111	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	457.1643
Annotation	Gnetin F
Peak:m/z	Relative Intensity
62.74663	4.1
67.05492	3.9
70.67648	4.0
74.46693	4.3
79.05470	14.1
91.05460	59.5
93.07032	8.3
95.04941	15.5
97.02910	6.4
97.61206	5.0
103.05473	9.6
105.06985	9.7
107.04939	88.9
109.02908	10.2
111.08341	4.4
117.07008	16.4
119.04945	15.5
121.02868	5.3
121.06526	34.7
123.04404	32.1
125.02382	7.7
128.06194	7.0
133.02837	5.8
133.06471	12.4
135.04442	15.6
136.05177	21.1
137.05945	39.1
141.06966	11.3
152.06175	4.4
153.06963	8.9
155.08583	5.1
162.89612	4.6
165.07037	13.5
167.08600	6.4
168.05698	13.6
169.06516	15.6
181.06575	18.6
182.07285	6.5
183.08038	27.4
195.08147	15.9
196.05167	8.9
197.06030	16.0
199.07629	9.0
209.06009	8.3
209.09544	8.0
211.07591	27.9
212.08308	8.0
213.05424	33.1
213.09036	8.0
215.06975	38.8
222.10953	5.3
223.07617	8.0
225.09241	7.9
226.06120	26.6
227.07040	44.2
227.10703	8.5
228.07800	10.6
229.08597	56.5
239.07146	35.8
240.07767	38.3
241.08553	49.2
255.10077	52.5
266.59955	5.4
335.12735	10.0
345.11166	7.2
349.10999	6.5
351.12439	9.3
457.16379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2348
Annotation	CHEBI:78175
Peak:m/z	Relative Intensity
51.34674	5.7
55.01857	10.8
55.05498	14.3
57.03421	15.8
67.05493	49.1
69.07047	10.6
76.40823	5.9
79.05489	31.7
81.07050	50.2
91.05463	66.3
93.07037	43.3
93.71432	6.3
95.04978	7.0
95.08595	30.0
97.06502	6.9
98.98461	100.0
103.05497	6.4
105.07030	49.7
107.04896	6.1
107.08601	28.2
109.10137	12.3
115.36126	6.6
117.06995	37.5
119.08576	33.8
121.06609	7.8
121.10160	17.4
129.05446	7.3
129.06992	17.6
131.08565	55.4
133.10153	31.9
135.11691	23.7
140.01089	10.2
141.06949	10.5
143.08609	10.6
145.10115	40.0
147.11703	14.7
155.08516	11.9
157.10153	13.3
159.11693	23.5
161.13289	11.9
169.10100	16.1
171.11658	13.7
173.02156	21.5
173.13295	19.7
175.14816	17.9
183.11670	12.5
185.13260	17.6
187.14835	21.7
189.16258	7.3
197.13287	7.9
199.14922	10.6
201.16376	38.2
202.23950	6.4
211.14931	8.3
241.19456	11.3
243.21104	15.5
254.96222	6.4
267.20984	49.9
285.22104	80.5
359.25620	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	23.7
58.84678	9.1
64.98749	11.1
67.60857	11.2
70.06571	22.6
71.08616	21.8
79.05476	13.9
88.07623	21.1
93.04526	13.2
105.07026	51.6
106.07792	14.1
113.90344	11.1
133.06468	39.6
134.07300	27.4
135.08031	100.0
138.31340	12.4
148.95891	13.3
151.07562	33.9
165.03673	59.5
200.20116	31.1
201.20473	14.1
277.16223	24.2
283.26178	24.0
295.17310	88.9
456.43982	29.0
457.34769	43.5
457.44302	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	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60054	3.3
57.07063	9.0
69.07053	14.5
70.14270	4.5
73.83488	4.9
79.05494	11.9
87.02702	4.9
91.05491	4.4
103.05455	5.9
105.07023	55.8
106.07790	10.4
106.62965	4.2
108.98436	4.5
116.83826	4.4
133.06462	41.4
134.07281	30.2
135.08052	96.9
151.07507	24.6
165.03668	45.1
167.05266	7.2
179.05261	9.4
194.28204	4.5
277.16092	25.0
295.17233	100.0
341.72186	6.0
367.81055	5.3
466.89804	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78996	1.8
57.07055	2.2
84.19737	1.9
84.60864	2.1
85.95087	1.9
88.70679	2.0
91.04646	2.4
103.76517	2.1
188.66039	2.2
395.09476	2.7
449.71021	2.8
457.29184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37747	1.9
60.24797	2.4
69.03423	5.3
69.66237	1.9
70.06572	5.9
73.02910	2.8
80.70853	2.1
81.03385	3.4
82.21127	2.0
85.02893	14.7
92.21694	2.5
97.02885	2.6
103.05416	2.8
120.08092	13.9
127.03852	2.5
129.18182	2.4
136.07578	4.6
148.05116	2.8
164.07054	94.0
166.08661	6.6
177.07806	17.1
177.76593	2.6
190.08641	8.4
199.35760	2.5
218.08177	11.8
222.32422	3.0
232.09718	4.2
236.09163	100.0
248.84982	3.0
250.10674	5.1
278.10202	25.3
296.11273	96.4
398.14545	5.1
458.16507	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03305	5.6
68.68111	5.3
69.07063	11.9
72.08147	14.8
73.61475	6.0
75.88754	5.8
81.07047	13.0
91.05473	65.0
93.07023	9.2
105.06934	6.6
109.10188	8.3
119.04938	29.3
121.10148	8.7
128.12656	7.0
137.05988	100.0
141.11818	5.7
160.07556	6.7
184.62578	7.1
208.38651	7.5
225.94258	8.2
248.69714	7.4
250.64978	6.7
305.21072	7.8
458.32651	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76357	12.6
58.21396	12.2
65.83424	12.7
79.48785	14.2
93.06998	17.8
94.03014	17.2
145.24390	17.5
146.04897	17.9
164.07109	60.9
218.84839	20.2
311.06818	18.9
396.79550	19.4
440.31180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20593	12.8
57.07061	42.0
65.68653	10.9
70.41192	11.5
71.08619	50.1
71.83943	13.7
78.40912	13.7
85.10188	30.4
87.51061	15.8
89.06029	88.2
93.07049	37.3
111.66219	14.2
119.95885	15.3
121.06516	72.0
130.08618	28.9
133.08612	51.6
156.92105	16.6
165.09099	35.0
258.57303	14.9
315.17923	100.0
369.74991	17.8
441.32101	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78233	15.8
56.96549	34.0
58.97379	13.6
61.78000	15.1
63.71947	15.4
81.76485	15.0
105.85696	19.3
154.32422	15.8
208.34599	17.8
209.01192	50.1
232.02827	45.6
253.16518	20.0
255.04396	23.1
288.09613	20.1
289.07715	20.2
294.07678	22.0
297.04352	32.4
312.09036	30.1
315.05392	49.7
320.05914	60.9
333.06531	30.1
335.10394	18.8
338.06982	100.0
356.08041	40.4
361.08466	57.2
371.08191	27.7
379.09775	44.8
459.09683	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	459.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75763	1.1
70.06579	8.2
72.08136	3.0
84.04510	1.5
84.08143	2.9
86.09686	4.1
101.41867	1.3
119.15313	1.4
120.06535	2.0
130.05031	1.6
134.04633	15.5
140.02768	1.7
152.05719	2.3
165.02242	10.1
182.04951	82.4
196.94356	1.6
208.02867	100.0
327.08646	43.9
330.26361	1.6
384.55225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	7.2
56.96553	20.3
57.07069	7.4
75.05283	7.3
87.52030	7.8
98.01273	8.3
100.68276	7.8
121.11396	7.7
154.03398	7.4
193.47322	8.9
217.43495	10.0
301.14069	100.0
317.11514	10.2
342.16650	9.2
348.75104	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	459.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57368	3.4
55.01870	19.4
55.02079	3.5
63.86489	3.2
64.25830	3.3
75.49507	3.3
83.06087	21.0
84.04492	41.7
107.06062	5.0
112.03944	22.2
123.58239	4.6
129.06601	17.6
130.04997	93.4
130.05904	7.5
138.06320	5.0
139.02144	5.8
147.02650	19.2
149.00604	4.9
153.06615	8.9
155.01601	35.2
167.01645	24.0
169.03107	11.6
175.02086	23.1
181.06158	10.4
184.04337	9.0
193.03166	71.2
199.07243	8.1
210.05789	6.1
249.57816	4.6
296.06006	13.1
313.08438	15.8
330.11166	100.0
384.12277	10.3
441.14380	18.2
459.15540	12.0
479.33368	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07762	1.1
70.06575	2.1
73.87730	1.3
94.55486	1.4
95.77094	1.4
108.15745	1.7
132.05122	1.6
144.25278	1.6
157.49545	1.9
180.11996	1.7
368.62750	1.7
442.98856	2.0
459.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35144	2.3
65.74722	1.9
67.05482	3.7
70.06565	7.8
70.12695	1.7
72.08134	5.5
79.79121	2.0
81.07043	22.2
83.00083	2.1
84.04481	2.9
86.09681	6.3
93.07011	3.7
95.08607	10.8
127.03873	2.4
137.13208	5.9
167.76956	2.3
195.64270	2.5
231.48466	2.6
253.65382	2.3
315.14212	8.0
337.82364	3.0
338.67059	2.3
381.78311	2.4
397.18213	16.0
399.16180	8.7
459.18289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09175	9.2
52.35308	11.8
89.36941	12.3
89.63960	13.7
92.89301	11.9
129.00555	15.2
129.21510	12.9
217.57686	14.1
364.57993	17.0
459.21951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.7
57.07050	15.5
66.22372	7.2
67.05482	9.0
69.07053	100.0
76.29994	6.2
81.07025	37.0
83.08607	22.8
93.07046	42.0
95.08590	19.6
105.07024	9.5
107.08569	27.0
109.06511	13.1
109.10155	8.9
119.08610	8.5
121.10125	11.9
123.11762	10.7
127.07508	9.5
127.48257	7.9
135.11783	8.5
136.52211	8.4
147.11690	16.7
149.13232	52.6
169.51965	9.1
173.09598	11.9
178.09247	7.6
185.13231	10.3
201.19995	9.2
219.21092	9.3
315.23123	78.9
322.06723	9.2
453.34357	8.4
459.30789	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	60.1
82.17561	32.3
124.03998	42.4
141.35699	30.7
141.54114	33.1
161.35378	33.5
265.54926	30.6
300.09152	40.7
305.09515	47.8
423.13306	35.4
441.14871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80178	0.3
67.96655	0.3
69.03418	0.9
70.06571	0.6
72.08114	0.5
73.20223	0.4
80.05011	0.4
81.03380	0.5
83.28500	0.3
85.02878	1.1
86.09669	0.6
97.02838	0.4
99.04436	0.8
103.03912	0.4
108.08104	17.4
127.03896	0.4
130.27226	0.4
136.07570	20.5
137.08374	0.5
154.08614	100.0
155.08940	0.8
195.86510	0.4
228.83739	0.4
247.41025	0.4
256.26770	0.3
277.64609	0.3
307.99973	0.3
345.48883	0.4
393.21393	0.4
449.42010	0.4
460.18112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78909	0.8
56.90917	0.8
57.07640	1.1
64.58173	1.0
70.06578	4.8
72.08128	2.0
81.03400	1.0
81.07043	1.5
84.04503	1.4
86.09699	7.8
87.05595	1.1
92.05261	1.3
93.05786	1.1
94.06561	1.2
103.03938	1.0
108.08109	12.9
109.06543	1.1
113.52468	1.3
127.03962	1.4
134.27711	1.1
136.07567	39.9
145.05000	1.2
149.84921	1.2
154.08615	100.0
166.08513	1.2
208.08154	1.1
224.96866	1.2
431.80200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70388	0.6
55.01870	0.7
55.05294	0.6
55.05500	7.3
60.51514	0.6
68.30598	0.6
72.08141	100.0
84.04492	1.7
85.02903	2.1
90.21175	0.7
97.02900	0.9
114.98920	0.6
116.07114	1.4
118.08640	62.2
127.03922	1.2
130.05000	2.3
137.06013	3.3
145.05005	1.0
145.06050	1.2
155.01588	0.9
193.03154	2.1
194.03517	2.2
291.51532	0.9
312.83139	0.9
330.11194	1.4
331.11484	2.8
376.84494	0.8
412.81555	1.0
442.14658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93490	17.5
57.95741	19.4
82.60516	20.7
85.73692	23.0
97.18459	27.3
119.08574	100.0
135.08008	31.3
386.31723	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	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64634	5.5
55.05498	9.6
57.07062	21.3
69.07060	61.0
71.08638	5.7
72.42502	6.1
73.06551	17.7
84.27306	7.2
85.10156	8.5
89.06016	79.6
91.05482	13.3
91.71586	9.4
93.07042	36.6
95.04975	9.9
103.05464	8.6
105.07004	9.9
111.11747	34.3
117.84862	6.6
119.04939	6.3
121.06495	100.0
129.12750	22.8
130.08612	15.1
133.06512	36.5
133.08588	67.0
137.97853	6.6
165.09126	24.4
175.11200	33.6
177.11354	12.9
209.11784	11.8
228.53154	7.5
231.17490	13.7
248.37067	8.7
275.20087	30.0
277.72357	9.8
290.64569	8.6
315.17984	35.2
342.65292	8.0
425.29034	14.3
443.30206	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	460.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	6.3
58.06592	20.1
65.54208	2.3
69.07066	3.7
71.08627	2.7
79.05498	3.1
81.07073	2.6
84.08132	100.0
84.61499	2.3
85.10167	2.5
95.08626	4.3
102.05534	32.4
102.06079	3.1
105.07077	9.2
130.08627	31.0
133.06499	5.2
135.08118	8.7
136.08432	3.0
137.08742	3.2
176.12837	14.3
187.56683	2.8
210.39821	2.6
222.13319	17.5
224.07762	3.1
297.17413	2.8
298.17474	6.2
460.36285	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.03414	6.0
57.07076	13.8
58.06592	61.4
59.07154	1.4
59.07376	16.5
59.22535	1.7
60.08159	16.0
62.52582	1.6
66.66733	1.6
67.05492	3.8
69.07044	3.7
71.08614	7.0
73.02840	2.7
74.48214	1.9
75.04451	4.5
81.07032	4.2
85.02888	2.0
85.10185	3.5
87.04459	5.7
95.08568	5.6
109.10141	2.4
117.40505	2.2
124.37859	1.8
125.53525	1.8
131.07054	3.2
132.90765	2.0
135.92975	2.3
144.10194	12.4
236.14899	100.0
263.89264	2.5
299.25629	2.6
421.13361	2.2
442.35233	21.0
460.36295	90.0
461.36993	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77353	1.6
56.96569	2.0
67.41071	2.2
68.99780	8.0
70.06575	5.2
72.08150	3.0
75.80564	1.9
84.04502	2.0
84.08134	2.4
86.09695	4.9
91.05479	3.2
119.04932	17.7
121.02874	8.3
134.91852	1.9
139.00272	36.6
141.23584	2.0
157.01305	4.3
185.00768	2.5
231.78108	2.1
257.04422	46.4
285.03909	100.0
286.04385	3.6
301.63058	2.0
308.17526	2.5
339.44193	2.2
372.78906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1066
Annotation	Tenuecyclamide A
Peak:m/z	Relative Intensity
53.48898	3.6
56.23067	4.0
56.96549	4.2
68.29948	3.9
69.43295	3.9
70.06572	12.4
72.08128	12.6
84.08120	5.7
85.54022	4.3
86.09698	9.0
96.79147	4.3
100.19456	4.0
104.16869	4.2
108.80985	4.4
181.11180	5.8
196.02762	9.9
204.62521	5.9
237.02917	6.6
317.05423	14.4
335.06552	12.6
350.85388	5.6
356.74237	5.9
358.08057	21.6
461.10413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79900	29.2
59.61517	27.6
67.05515	32.4
70.06585	100.0
70.94357	30.3
72.08136	42.5
84.04496	34.5
84.08120	62.1
86.09700	98.3
91.51487	33.1
127.03890	44.8
136.07690	43.6
156.10202	88.8
158.47020	34.9
172.60037	34.1
173.36433	37.5
248.77382	44.1
461.19418	50.8
474.22626	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	461.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38443	3.0
61.02967	3.1
109.65811	4.1
165.10384	3.7
174.27071	3.5
203.63794	3.5
207.05051	4.6
227.31094	3.7
230.06555	6.6
263.05618	13.6
281.06573	84.0
299.07657	46.4
304.08148	100.0
305.08456	9.8
317.08743	19.4
322.09235	41.1
323.07553	18.4
340.10263	12.0
341.08655	66.7
345.10739	20.0
353.08740	14.2
359.09598	13.2
364.10245	94.9
371.09872	7.6
376.10406	14.2
382.11349	51.8
394.11240	11.7
401.10422	5.2
443.11911	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	461.1358
Annotation	Apremilast
Peak:m/z	Relative Intensity
52.23051	7.7
58.26066	7.1
62.28798	7.2
75.80664	7.4
84.08115	13.9
88.69601	8.9
90.68763	8.7
210.83885	11.4
255.05537	9.9
461.13663	100.0
461.20270	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	461.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.23820	5.0
57.03440	5.0
69.03417	11.3
70.06578	22.0
72.08148	13.9
81.03425	13.9
81.07047	19.9
85.02897	65.2
86.09686	58.9
86.52188	6.1
97.02892	20.2
99.04459	39.9
103.03945	60.2
109.02863	31.4
109.06507	22.2
114.56249	5.9
120.44019	6.0
127.03905	100.0
127.04799	9.3
137.05965	36.1
145.04962	30.0
147.16896	6.9
155.07037	83.0
163.06050	20.9
199.95181	6.6
206.76027	6.9
254.63678	7.2
290.47006	7.2
421.72617	7.3
461.15897	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	461.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76318	3.7
57.06802	5.3
57.07068	94.6
67.87840	4.5
69.07039	4.6
71.08617	5.6
79.00486	4.7
81.54094	4.4
89.06023	100.0
90.76936	4.3
91.05389	5.6
91.61214	4.5
93.07053	6.8
105.07014	5.8
107.08593	6.1
116.17613	4.5
130.08661	18.1
133.08606	52.2
133.10138	5.8
141.04741	6.9
143.02647	6.4
147.11707	5.7
155.02568	24.0
169.04193	8.1
175.11365	5.0
177.11229	10.4
183.05714	7.2
184.02901	6.9
199.05254	6.8
202.94315	5.7
257.40939	5.2
260.48624	5.6
267.15070	89.7
311.17648	16.2
349.14120	7.0
355.19946	7.8
461.27213	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	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53789	6.2
52.00129	6.3
53.58426	7.0
55.05497	23.0
57.07063	13.9
63.82318	7.2
67.05490	100.0
69.07064	7.9
69.73617	6.9
79.05492	27.1
81.07047	45.1
83.08577	7.3
91.05470	22.4
91.87677	8.6
93.07046	35.4
95.08617	23.2
105.07007	20.8
107.08598	18.3
109.10164	45.2
117.07011	11.3
118.23080	8.4
119.08614	35.4
121.10144	22.9
131.08577	11.0
133.10133	23.0
145.10115	14.7
147.11667	11.7
205.26855	8.3
267.15274	8.7
461.32669	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	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17197	1.9
55.05496	8.4
57.07060	6.1
59.85860	1.7
60.71429	1.7
63.46672	2.0
67.05495	11.3
69.07063	10.4
71.08620	4.1
73.48734	1.9
78.70786	2.4
81.07051	14.5
83.08603	8.2
85.10200	2.3
93.07035	7.4
95.08602	100.0
97.10172	13.4
105.07034	2.8
107.08590	5.1
109.10153	15.3
111.11738	3.4
115.98821	2.6
116.16779	2.1
117.07011	2.6
119.08560	4.4
123.11714	7.5
125.13290	2.2
127.07577	7.2
131.08588	6.1
133.10115	4.3
137.13258	5.0
145.10144	5.6
151.14851	5.7
159.11676	3.9
173.09642	3.8
187.14859	3.2
191.10710	8.6
221.22702	3.6
240.94003	2.2
317.24738	60.3
335.26001	5.1
387.52209	2.7
414.46390	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	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	6.5
57.07063	6.5
67.05484	10.0
69.07043	8.7
81.07047	18.0
83.08591	6.5
93.07027	7.5
95.08598	100.0
97.10164	12.6
107.08566	5.2
109.10168	17.9
111.11679	3.5
123.11691	10.0
131.08577	4.8
137.13252	8.0
145.10100	8.1
184.64883	4.1
191.10652	6.0
200.72415	3.8
236.09795	3.8
237.74088	3.4
261.81244	3.4
315.28928	4.0
317.24689	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.2
57.07060	3.5
60.08157	26.7
67.05494	49.6
67.28468	2.5
69.07055	14.2
70.06586	30.3
71.04970	13.3
79.05502	20.3
81.07047	40.8
83.08624	3.1
91.05467	20.4
93.07041	30.5
95.04922	5.8
95.08595	30.6
105.07033	12.2
107.08592	12.6
109.10172	9.9
116.07100	10.6
118.58401	3.4
119.08555	10.7
121.10138	9.5
133.10143	3.6
134.66714	3.5
135.11751	3.4
138.21005	3.3
139.65791	3.7
141.99870	3.2
152.33449	3.2
402.30048	24.2
461.37375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94495	2.7
51.28632	2.6
54.26181	2.8
68.68166	3.1
69.03413	4.8
69.18792	3.3
73.02905	3.3
85.02888	5.5
86.06064	12.7
97.02925	4.5
98.06044	3.6
103.87813	3.7
107.67071	3.7
127.13687	3.6
134.06061	5.5
148.03984	5.0
162.05499	13.2
164.07010	3.6
180.06668	3.9
194.04504	15.8
194.08192	19.8
198.07590	8.4
208.06042	10.7
222.07622	6.8
224.05617	4.6
236.05545	6.7
250.07124	12.4
282.09714	100.0
300.10602	17.2
332.12692	9.7
430.53561	4.2
444.14536	5.8
460.92566	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	462.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
61.02914	5.0
62.67479	1.8
66.88372	1.7
69.03435	9.7
69.07049	10.9
70.06570	2.1
71.04986	5.4
72.08160	3.0
76.02225	12.6
81.03414	15.6
84.04507	6.2
85.02898	83.7
86.09688	4.6
91.71681	1.9
97.02885	28.3
98.72678	1.8
99.04449	49.1
103.03940	89.1
109.02876	18.5
112.33167	2.1
116.01733	3.9
120.08102	3.4
121.06461	10.4
127.03915	100.0
145.04955	54.6
153.01814	3.3
156.98228	2.1
162.02171	7.4
163.06018	51.0
179.04872	7.3
180.08803	2.4
186.07642	5.3
187.06062	4.3
187.07628	2.4
233.05992	3.4
271.08151	6.4
287.05487	49.7
289.09189	4.9
307.10281	7.1
308.09109	5.9
403.05148	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	462.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.6
55.05516	15.0
57.31273	3.8
67.05514	21.3
69.07077	19.5
79.05463	23.1
80.55753	4.2
81.03425	14.1
81.07047	71.5
83.04973	7.3
83.08630	10.6
83.15260	4.1
91.05503	21.3
93.07072	15.4
95.04957	33.4
95.08610	10.3
97.10176	4.8
97.17130	4.8
103.12627	5.4
105.07066	16.8
106.80007	4.2
107.04934	7.2
107.08622	13.7
109.06553	7.7
117.07053	16.5
119.04913	4.9
119.08591	31.0
121.06496	5.5
121.10184	8.1
125.02312	4.7
125.09684	6.7
131.08589	7.7
135.08070	11.2
137.05978	39.0
145.10120	10.3
147.08133	14.9
149.09668	9.0
161.05972	5.3
163.11224	7.2
201.25346	5.2
227.98253	5.4
230.58749	5.4
249.14848	7.7
269.06754	4.8
273.18573	14.5
287.05740	7.4
289.65500	5.7
291.19498	100.0
303.16144	10.5
305.54932	5.4
402.14594	6.2
427.24716	6.1
445.25647	8.7
462.28384	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.75350	1.2
59.79496	1.3
60.08147	4.7
67.05495	2.4
70.06566	1.7
70.35966	1.7
71.04971	5.3
71.27101	1.3
76.29828	1.5
76.32783	1.5
81.07069	3.7
84.04485	3.6
89.04900	1.4
91.05452	2.6
95.08639	2.0
97.39348	1.6
110.33517	1.5
113.83865	1.6
122.13788	1.6
123.04456	1.6
128.28252	1.4
130.12274	19.0
131.12613	2.3
137.05995	2.3
139.02594	1.8
149.05949	3.5
160.07610	2.4
161.06012	1.6
162.05557	2.4
163.07567	1.5
164.07011	12.4
175.07581	2.0
175.38159	2.0
176.07135	1.7
177.07854	26.4
180.13835	5.2
186.18546	1.6
198.14917	5.7
271.94138	1.8
274.17874	6.3
287.05386	13.7
302.17490	8.8
320.18536	100.0
321.19220	2.5
334.63428	1.9
462.28491	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90045	0.5
65.71326	0.6
67.01852	1.4
68.33865	0.5
70.06576	1.6
76.02205	0.9
78.13222	0.5
84.04491	1.1
84.08128	1.0
85.02865	0.6
86.09686	1.5
88.68575	0.6
99.15003	0.6
116.87315	0.6
120.08069	1.2
135.04393	2.4
153.01802	5.3
157.08649	1.5
161.02359	0.8
166.93607	0.6
171.02881	1.2
185.91069	0.6
259.89816	0.7
287.05484	100.0
288.05856	1.0
375.22012	0.6
423.10172	0.7
445.15909	1.0
463.08649	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0866
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
60.79817	0.7
67.01877	0.8
71.90470	0.7
75.43760	0.8
91.19743	0.8
91.71087	2.5
91.71696	1.6
94.89079	0.8
103.71024	1.1
107.76456	0.7
118.76863	0.8
135.04417	2.0
137.02382	1.1
153.01823	4.5
161.02353	0.9
193.50395	1.1
208.01801	0.9
287.05475	100.0
288.05856	2.1
424.18304	1.0
463.08661	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	463.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34961	0.6
70.54485	0.6
84.43211	0.8
91.05517	1.0
119.04930	3.4
121.02816	1.7
145.02800	1.0
169.01346	2.7
169.85181	0.8
173.60208	1.0
174.33342	0.9
287.05460	100.0
288.05853	1.7
299.62451	0.9
463.08740	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	463.0869
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
51.27235	0.5
61.51336	0.6
67.01839	0.7
73.70349	0.6
75.32819	0.6
78.74104	0.6
83.96716	0.6
93.39938	0.6
135.04407	1.5
143.86909	0.6
150.87914	0.7
153.01816	4.5
185.83676	0.7
287.05472	100.0
288.05814	1.0
356.73788	0.7
463.08435	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87865	0.1
68.39323	0.1
68.99786	0.3
70.06578	0.2
71.91209	0.2
76.17056	0.2
76.17486	0.2
84.04486	0.2
85.02895	0.2
86.09679	0.1
91.05471	0.8
95.01290	0.3
99.70935	0.2
109.03951	0.2
109.09798	0.2
110.42538	0.2
110.86813	0.1
113.02332	0.2
113.11720	0.2
119.04933	3.3
121.02873	1.6
123.00764	1.4
126.05411	0.2
126.93800	0.1
131.12239	0.1
135.76376	0.2
141.01801	0.4
145.02827	0.5
157.06454	0.2
169.01314	3.9
187.02267	0.2
189.05515	0.2
213.05370	0.3
217.04900	0.2
231.06648	0.2
241.04897	0.6
245.04482	0.3
248.93802	0.2
269.04449	0.3
286.04138	0.2
287.05466	100.0
288.05704	1.0
293.59442	0.2
302.38672	0.2
311.78610	0.2
463.08685	2.6
474.19720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
62.86916	0.5
67.01842	1.5
68.99797	0.6
70.06553	2.1
72.08165	3.1
75.54066	0.5
84.08145	1.1
87.45238	0.6
100.11234	2.0
109.57054	0.6
110.01373	0.5
111.82858	0.6
129.10243	1.0
134.62645	0.6
135.04422	2.9
137.02275	0.8
153.01828	5.1
171.02934	1.3
226.25700	0.7
287.05475	100.0
291.78607	0.6
383.27243	0.7
394.29938	0.6
406.65567	0.6
438.01324	0.6
462.36148	0.9
463.08652	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	463.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72851	7.5
73.35037	9.2
79.41209	7.0
105.07005	8.1
115.16097	9.1
126.71717	8.6
250.11826	11.2
405.55219	11.5
463.13278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71754	1.0
55.76130	1.0
58.87802	1.1
72.08114	1.3
82.10258	1.2
84.04520	1.5
86.09719	1.4
94.58926	1.4
104.21772	1.3
104.94881	1.2
121.81262	1.4
133.49681	1.3
136.06180	100.0
178.08621	2.1
204.98817	1.4
268.10355	23.6
329.87729	1.3
337.54477	1.6
383.53101	1.3
470.62177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
54.50824	2.0
57.03436	1.9
61.02890	2.9
67.60873	2.2
69.03426	15.0
69.07040	3.8
70.06608	2.7
73.02901	2.8
75.20609	2.4
81.03412	14.3
81.08032	2.3
85.02895	87.2
97.02897	23.2
99.03851	4.4
99.04449	51.7
103.03936	100.0
109.02876	17.7
115.92149	2.5
117.01077	2.5
127.03912	96.4
139.11105	3.4
145.04956	58.8
163.06013	48.1
186.07445	4.1
187.06024	4.0
271.08264	3.8
287.05457	31.3
334.08847	2.6
449.14349	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	463.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83165	16.7
56.96557	87.6
57.44650	18.7
71.03748	14.5
85.03397	17.1
125.50179	20.6
131.00166	41.2
149.01213	35.5
154.01785	48.9
172.02802	54.8
185.33263	18.5
195.04469	57.9
209.08142	19.4
278.32782	19.4
284.15216	21.2
317.17914	20.4
319.19418	37.6
358.20563	28.7
371.18979	48.5
374.34531	19.2
382.18637	21.1
389.19849	30.1
403.21655	100.0
403.26321	24.7
412.21445	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	463.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22877	16.4
81.82066	22.3
82.55443	20.2
84.85741	22.6
91.05490	19.9
98.40298	26.6
99.23610	19.0
116.74161	21.8
169.23872	28.6
203.69540	25.0
401.84271	30.7
430.65540	27.4
463.26627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36155	1.5
59.10929	1.6
61.91765	2.0
62.16869	1.6
65.19516	2.1
66.01095	1.9
68.27411	2.2
84.08133	50.4
86.09692	29.2
91.71274	4.4
103.05466	4.7
115.34944	2.2
120.08096	100.0
122.09665	2.5
128.10719	9.2
129.10245	15.7
144.10178	27.1
153.01773	6.5
161.12839	20.8
201.71608	2.4
276.17041	3.2
282.15903	2.4
287.05466	93.2
288.05875	6.1
308.19669	13.3
326.12567	2.8
432.40933	2.8
445.16766	3.6
463.08624	13.1
463.29089	32.7
466.67999	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40692	8.8
51.12440	8.3
91.71580	20.9
129.74553	13.8
149.45084	13.0
154.15863	13.9
163.22226	13.4
287.05499	26.2
362.13516	17.4
445.29492	58.2
463.30038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15390	4.9
57.41414	5.6
58.81938	5.2
78.54478	6.2
95.62776	6.1
153.67268	7.3
232.03619	7.2
445.28979	41.7
463.30270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
55.05503	8.3
56.69355	6.0
57.07073	34.4
58.69302	6.6
64.85453	6.4
67.05501	10.3
69.07066	24.3
71.08645	25.7
73.05357	6.1
76.27788	8.0
76.95485	8.3
78.56641	7.6
81.07055	22.8
83.08627	16.5
85.10191	15.1
86.41162	7.4
95.08626	22.1
97.10188	12.2
101.63004	7.3
109.06535	9.6
118.88715	7.2
123.08115	10.5
125.06032	14.1
127.07556	39.6
139.07541	100.0
139.08519	8.0
170.39125	8.4
319.29825	11.4
445.36871	33.6
463.37885	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	463.3781
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
55.05502	10.8
57.07065	39.8
69.07059	27.5
71.08624	30.4
73.35587	6.1
81.07047	22.4
82.41940	7.1
83.08608	23.9
85.10180	13.8
93.07018	8.4
95.08617	17.5
107.08601	8.2
109.10137	13.6
111.11744	7.8
119.08601	8.6
123.08113	13.2
125.06050	20.9
127.07565	43.6
139.07555	100.0
151.07573	9.3
177.09140	11.3
182.02664	8.6
437.97260	9.6
445.36850	29.8
463.37958	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	6.1
91.05597	6.4
96.98847	8.4
98.95511	6.6
106.59863	6.7
109.11829	6.5
112.18275	7.5
158.32301	6.9
211.16153	7.0
232.57777	9.1
277.11859	7.1
301.96347	12.1
464.01773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11924	1.5
51.60579	1.6
58.99583	2.3
62.09814	1.8
65.04282	1.7
69.17730	1.7
69.37584	1.5
70.06578	5.9
72.08152	3.0
76.02216	6.1
76.69229	1.9
83.04977	1.6
84.04481	2.6
84.08136	3.8
86.09690	5.5
110.99506	2.0
115.05450	36.6
117.07005	7.0
120.08089	3.1
122.02728	12.8
132.05717	3.6
137.05937	10.3
143.04887	5.2
144.05695	10.8
145.06566	2.4
147.07967	2.4
159.04396	11.7
160.03831	2.8
160.05188	55.0
175.07532	100.0
175.20331	2.2
183.24210	2.3
184.07590	4.7
191.07100	3.7
201.05385	29.7
219.06514	34.9
271.09668	3.2
287.05453	7.7
288.05856	19.4
325.10544	3.9
333.65924	2.2
351.74808	2.2
399.42108	2.4
413.46976	2.4
446.15076	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	464.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53284	1.7
56.94657	2.0
65.03945	1.9
67.99792	2.3
70.02959	1.9
70.06596	6.3
71.86237	1.9
72.08154	3.4
76.02228	5.1
86.09715	3.6
97.61803	2.2
104.30840	1.8
105.07036	2.3
108.78078	1.9
110.06058	2.2
115.05449	35.1
117.07040	8.5
120.08148	4.5
122.02731	13.7
124.60896	2.3
129.07059	2.6
131.04980	3.5
132.05801	4.4
137.05971	22.0
137.06949	2.3
141.09166	2.9
143.04962	4.1
144.05777	7.4
153.01826	3.2
158.30385	2.7
158.46416	2.5
159.04431	14.0
160.05179	58.9
175.07527	100.0
184.07677	5.8
191.06989	3.0
201.05316	27.3
219.06509	37.5
219.08426	2.7
271.09769	5.1
287.05502	12.8
288.05743	20.7
317.51138	2.8
432.93008	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	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46802	1.9
55.05495	3.3
57.03422	10.7
64.74472	2.0
69.03390	2.3
71.04984	86.6
75.04463	7.5
80.77040	2.2
83.04966	9.3
85.02896	100.0
86.06040	3.3
87.04429	2.4
91.71705	2.4
93.10646	2.5
97.02887	5.2
111.04468	6.4
111.09785	2.2
119.12760	2.7
121.02858	4.7
129.05475	34.7
134.07236	3.3
139.03932	5.6
147.06487	13.5
156.01642	2.6
164.09190	8.5
168.84680	2.9
317.83118	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	49.2
70.15471	10.9
71.08625	34.1
74.87334	13.5
85.10242	13.1
89.06032	100.0
102.91230	13.0
123.37495	13.6
126.94382	14.0
130.08719	28.6
133.08662	26.4
141.13992	14.7
146.80051	15.6
179.53194	13.7
195.12378	21.1
239.48465	13.5
447.40274	36.1
484.23044	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58096	1.2
57.34817	1.2
67.40353	1.0
70.06584	1.9
72.08152	1.4
82.35846	1.2
86.09699	100.0
86.98178	1.3
88.03977	2.9
99.05576	3.1
107.31513	1.2
109.61584	1.4
114.05554	2.9
117.95535	1.4
118.69929	1.4
120.08102	19.7
132.10265	1.6
141.06601	2.6
159.07649	17.3
166.08670	3.4
187.07159	15.9
219.78851	1.3
271.06049	4.9
272.15955	1.5
279.17014	6.1
300.15543	4.1
493.77710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59432	9.2
55.01853	14.0
55.05494	32.2
57.03437	19.8
57.07064	18.0
64.08506	12.4
67.05489	15.1
68.61014	10.3
69.07071	57.1
70.18211	10.3
71.05622	9.6
71.08606	18.3
79.05479	12.6
81.07034	21.7
83.08598	31.0
97.10167	23.9
98.97893	15.1
98.98440	70.6
121.10143	16.3
135.31067	11.4
155.01010	63.0
311.25815	100.0
351.12836	15.5
370.91428	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	465.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73388	6.8
76.20327	8.7
89.28422	7.4
92.04179	7.8
100.62598	6.4
120.49696	7.5
181.14799	8.8
183.96701	8.0
185.20876	7.9
187.70279	9.6
304.81476	8.5
345.70010	9.0
465.29843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94798	2.1
70.39078	2.6
70.60365	2.9
86.84821	2.7
91.05469	12.5
93.05760	2.7
93.07030	12.0
95.04960	6.4
102.42213	2.6
103.05453	6.3
106.06543	4.0
107.04952	20.4
107.07361	3.0
117.07003	4.6
118.06532	14.3
121.06500	87.1
123.04381	4.5
130.06526	4.9
132.08087	4.8
133.08813	3.4
137.05959	7.3
144.08092	33.7
174.64850	3.0
194.30492	3.0
228.10123	3.6
238.12210	7.8
240.10486	3.3
254.11899	12.8
348.15933	100.0
367.56308	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	466.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	38.0
59.32154	30.7
62.06065	40.0
66.92378	33.1
74.68904	34.3
78.59610	33.3
79.31882	36.1
95.08579	47.7
110.90713	37.7
121.87189	39.8
138.34505	38.3
147.81261	49.8
151.07402	42.9
176.93655	46.6
309.17267	42.9
325.27377	100.0
412.49237	51.5
455.64185	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	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	10.9
58.06591	3.9
65.03925	4.2
70.06200	1.8
70.06582	34.0
70.97301	1.6
71.08624	5.7
74.06085	1.7
88.07625	36.0
102.09177	23.1
107.35922	1.5
109.98209	1.5
111.80745	1.5
121.02845	2.3
139.03937	3.0
149.02338	83.2
149.03362	4.0
193.04951	75.7
237.07559	81.0
256.26331	60.2
256.29074	2.4
300.29117	2.6
466.31631	100.0
484.46927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.8
57.07070	100.0
59.04986	59.7
64.29202	11.2
66.36549	10.9
70.08012	12.0
71.08624	99.1
85.10171	97.3
89.06033	26.0
98.33280	12.0
108.95571	11.7
109.01707	11.3
117.09162	16.8
130.08621	14.3
131.10670	19.0
257.24777	26.8
388.51242	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	467.1526
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
50.02084	1.6
51.79453	1.7
54.56434	1.7
60.64868	1.7
70.06576	6.4
72.08149	2.5
77.85067	1.9
81.07058	1.9
84.04548	2.4
84.08103	2.1
86.09715	2.8
91.70951	2.5
96.08123	2.9
97.06538	4.0
205.33470	2.6
263.13565	2.4
294.12491	2.3
399.10831	2.7
405.15121	6.6
407.13217	4.3
449.31168	2.8
467.15244	100.0
468.15359	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	467.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77042	4.1
53.74978	4.0
53.76398	4.6
66.53750	4.4
70.75159	5.9
75.60878	5.6
93.07028	8.9
105.07093	6.6
106.06605	5.2
107.04990	14.3
113.54339	5.5
117.05788	11.4
119.07346	14.2
120.08105	9.4
121.06499	66.4
132.08093	51.4
160.11272	16.3
192.46776	6.2
226.12257	100.0
254.15419	58.5
298.97351	6.2
320.54800	6.7
379.67084	6.6
467.26505	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
54.72764	1.1
57.03402	1.4
61.02900	2.4
61.88134	1.2
69.03418	13.4
71.04980	9.7
73.02886	3.3
81.03410	15.4
85.02893	90.8
88.49800	1.3
90.82223	1.4
91.71560	4.4
96.66604	1.4
97.02886	27.8
99.04448	40.8
103.03932	97.4
109.02861	12.7
109.10088	1.8
127.03905	100.0
127.11182	5.4
145.04945	55.1
145.12218	20.6
162.67206	1.6
163.06001	62.0
167.10704	1.7
180.08740	1.8
181.44832	1.3
186.07637	5.1
187.05995	4.3
205.07091	5.3
224.87521	1.4
226.82658	1.4
253.06995	1.8
271.08124	2.1
289.09180	5.6
307.10138	13.5
332.37625	1.9
446.12119	1.7
478.43356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71355	4.5
67.05452	5.6
67.81155	4.9
69.03414	8.6
69.07050	5.7
70.06583	11.8
71.04969	8.7
81.03413	12.4
81.07033	7.0
85.02893	71.8
88.04047	5.3
90.51567	4.8
91.05499	5.5
93.07029	6.5
93.51068	5.0
97.02885	23.9
97.06506	5.5
99.04453	40.2
103.03935	100.0
109.02902	15.5
109.06476	7.3
109.10163	38.8
110.03210	5.5
121.06513	11.3
127.03900	77.1
127.11176	48.3
145.04955	41.8
145.12236	19.2
155.91879	5.8
160.57631	5.4
163.06000	40.5
205.07076	7.5
217.12291	11.1
218.97560	5.7
235.13304	9.4
253.14319	10.2
256.82489	6.8
307.10126	9.5
407.24719	6.4
476.71606	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	468.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85389	1.0
55.51561	1.2
55.72902	1.0
56.05028	1.4
57.03435	1.2
57.07061	3.6
58.06592	100.0
67.05493	1.4
67.96966	1.0
69.07074	1.9
69.25219	1.0
71.08609	2.4
76.07627	4.3
80.03674	1.2
81.07039	1.7
85.10157	1.3
95.08606	2.4
98.98465	2.6
109.10152	2.3
157.92725	1.2
183.04109	1.7
271.56146	1.3
313.27328	14.5
358.87274	1.4
452.16763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60699	0.8
57.07055	4.1
57.07311	0.9
58.06585	1.3
60.07096	0.9
60.08155	19.3
67.05488	1.0
69.07040	1.2
71.07359	7.7
71.08614	2.4
71.20254	0.8
73.41822	1.1
73.87103	0.9
81.07076	1.1
85.10152	1.5
86.09696	58.0
91.71620	1.3
95.08601	1.6
98.15309	1.1
98.98456	3.0
104.10738	100.0
124.99992	25.3
132.34438	1.0
184.07330	81.3
256.17050	1.2
285.24213	2.1
450.29672	5.9
468.30750	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	468.3319
Annotation	Asmarine E
Peak:m/z	Relative Intensity
55.05497	4.5
56.50299	1.8
57.03419	6.2
58.06594	67.9
59.06616	1.9
59.07372	18.2
60.08163	16.9
65.30333	1.8
67.05492	9.6
69.07047	2.4
75.04468	6.1
79.05479	10.9
81.07043	7.8
84.72730	2.0
85.02917	4.0
87.04450	5.2
91.05480	7.1
93.07044	12.1
95.04941	4.8
95.08604	4.1
98.06073	2.7
103.23521	2.2
107.08595	3.2
111.21040	2.1
113.05956	2.4
121.10126	4.3
135.11713	2.5
144.10217	14.6
186.87132	2.2
197.95181	2.3
215.02304	2.4
236.14914	100.0
272.89743	2.4
276.75235	2.2
316.48251	2.4
329.21716	2.9
450.31949	20.6
468.33197	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.0
56.04982	1.2
57.03427	6.2
58.06594	47.8
59.07378	15.1
60.08157	14.8
66.81583	0.9
67.05489	5.5
69.07035	2.0
73.02892	1.4
75.04466	6.1
79.05472	5.5
80.75052	1.7
81.07043	5.0
82.06590	1.1
83.04925	1.3
84.08090	1.4
85.02888	3.4
87.04452	4.4
87.86017	1.1
88.43107	1.0
91.05466	2.9
93.07018	6.0
95.08570	2.2
98.06050	1.5
105.06977	1.5
131.07027	2.1
135.97868	1.1
144.10197	9.9
162.11232	4.3
179.58902	1.2
199.85591	1.4
226.06442	1.8
235.92172	1.3
236.14912	100.0
237.15166	1.4
265.08881	1.2
282.29822	1.5
403.33319	1.5
450.32178	16.1
468.33163	57.8
469.33627	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	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17952	2.8
56.10341	2.7
57.07064	48.7
68.57449	2.7
69.07044	5.3
71.08631	25.4
71.42693	2.8
73.06549	6.4
85.10171	15.6
89.06025	100.0
101.97302	3.3
102.76894	3.1
104.69320	3.8
127.13793	3.3
130.08656	13.1
130.73869	3.5
133.08598	45.3
177.11195	14.0
238.80135	3.8
241.25331	4.4
247.60202	4.0
250.43141	4.1
257.24643	8.9
283.17609	12.3
451.36203	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	469.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33627	2.5
56.71059	2.7
60.86525	2.2
63.42309	2.9
64.32927	2.4
67.82754	2.4
70.06574	9.1
81.58175	2.9
84.08156	3.1
84.10220	2.7
86.09708	8.1
91.96223	2.9
107.04942	23.8
109.06512	28.7
110.07182	3.8
118.47818	3.2
120.08120	3.0
156.07700	4.3
164.07043	6.6
169.29936	3.1
185.06654	5.1
198.00789	4.1
208.08147	3.0
210.05916	3.9
231.09854	3.3
251.68520	3.5
324.10632	4.0
345.08395	5.8
360.13129	4.5
399.32858	4.0
407.13202	5.1
469.13095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96637	44.2
59.98654	57.8
75.28973	48.5
75.85861	50.7
121.06532	79.2
154.39388	68.8
197.06099	89.8
211.07468	78.1
227.07169	100.0
240.26706	63.8
241.08519	99.2
257.78186	65.1
469.16229	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	469.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35056	10.2
62.00623	9.3
83.21069	11.1
91.05474	34.9
91.71080	13.9
92.17377	10.7
95.04958	19.5
100.93047	11.7
102.85903	11.0
103.05440	10.7
103.45296	13.2
105.07043	12.9
107.04954	48.4
121.02926	17.3
121.06503	64.9
123.04399	22.7
128.06230	11.6
129.07028	12.4
131.04982	13.1
132.01585	11.5
135.04463	13.6
135.11807	10.7
137.06020	32.3
141.07011	27.4
144.14420	11.9
152.06238	15.4
153.05473	41.2
153.06953	22.2
165.06934	24.6
167.08557	12.7
168.05771	18.4
169.06496	34.2
169.86105	14.2
181.06490	28.7
182.07204	20.7
183.08080	23.4
194.07376	20.0
195.08083	23.3
197.06049	65.3
197.63066	13.2
209.05820	20.0
210.06734	24.4
211.07541	53.7
212.08212	14.6
223.07584	30.0
225.05554	48.4
225.09120	20.5
226.06184	50.0
227.06969	100.0
229.08569	19.5
239.06985	29.4
240.07803	25.4
241.08521	98.2
253.08473	15.4
255.10202	34.1
298.65649	14.0
301.23242	12.8
317.11761	34.3
333.10724	16.4
339.34448	13.7
345.11093	29.6
363.12103	35.3
398.88092	14.8
459.68875	13.1
462.38260	14.8
469.16495	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1645
Annotation	Marchantin N
Peak:m/z	Relative Intensity
58.37085	6.5
91.05500	7.8
91.70961	7.2
105.07021	8.3
137.05981	15.0
153.05495	10.2
194.05072	7.6
210.85062	8.9
213.05533	40.0
226.06247	72.4
227.06982	8.8
239.07042	18.9
289.83691	9.0
469.16397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61549	0.8
52.91701	0.7
54.23785	0.7
58.57750	0.9
58.99559	1.2
66.61268	0.9
68.53151	0.8
70.06562	0.8
76.02226	3.2
84.04501	14.5
89.79449	0.8
105.00089	2.0
105.70313	0.9
119.08585	2.7
121.10148	2.9
122.02717	16.6
130.05003	8.3
133.10129	2.5
140.26955	0.9
142.03210	1.8
161.13263	3.5
185.13417	0.9
188.03790	2.8
203.14302	20.9
219.17418	100.0
222.48935	1.0
234.04269	2.7
240.13608	1.3
251.06932	34.0
290.54736	1.3
344.81662	1.0
363.55682	0.9
465.36945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45966	16.1
52.95836	14.6
53.93525	14.2
55.05505	27.5
57.07071	25.3
66.11779	15.5
69.07069	36.8
72.07803	16.9
81.07053	53.6
82.51527	19.5
93.07053	30.5
95.08615	48.4
107.08596	32.1
109.10159	22.0
111.04506	29.0
121.10178	35.7
126.41479	22.4
130.57690	18.6
190.19843	22.8
199.97319	20.9
237.18573	22.9
293.24915	37.5
364.45682	26.8
392.28192	37.2
469.30801	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	469.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48551	25.2
53.74930	24.0
56.11728	32.7
59.16532	23.4
67.05511	28.7
67.70530	23.8
98.98458	96.3
126.88956	28.6
154.40056	28.7
155.01047	50.9
183.04311	40.3
195.16368	34.9
195.48885	34.1
217.65819	44.0
221.15718	34.8
287.23776	39.1
448.60510	35.5
460.77377	39.4
469.32870	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	469.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60906	26.9
70.03341	23.6
71.08618	46.6
103.61298	27.0
110.00944	27.9
111.04485	40.9
121.75629	28.6
143.00087	31.3
166.17690	29.9
170.15387	100.0
182.15562	45.1
198.14911	76.0
210.14806	59.5
243.65367	39.0
469.33969	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86746	0.5
61.95294	0.5
63.25687	0.5
64.88350	0.5
69.50432	0.5
70.06573	2.0
72.08155	0.6
74.26842	0.5
75.40317	0.5
80.85853	0.5
86.09693	3.6
91.05447	1.1
107.04958	2.8
109.06485	1.9
110.07169	5.0
113.64576	0.5
119.04933	0.9
137.05965	2.3
147.04330	0.7
149.04733	1.9
156.07672	3.6
157.07910	0.8
157.36903	0.6
164.07056	100.0
165.07396	1.0
239.24336	0.7
251.09508	1.0
385.28793	0.7
452.18021	2.2
470.19229	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	470.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06571	0.8
85.89761	0.5
90.38461	0.4
91.05462	1.0
107.04974	2.3
109.06538	0.6
117.84859	0.4
118.06503	0.6
119.04915	0.8
135.49588	0.4
137.05968	3.1
146.05978	0.6
149.04694	1.0
164.07056	100.0
165.07401	1.3
181.10065	0.5
185.02620	0.5
262.14987	0.6
452.17987	1.5
470.19202	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	470.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36939	1.2
60.04508	2.3
70.06583	100.0
77.57771	1.2
86.09695	2.6
91.71663	1.8
113.29389	1.5
116.07063	2.7
117.06618	2.4
130.47789	1.4
151.45007	1.4
155.08133	2.2
178.82762	1.5
183.14920	11.1
211.14398	3.1
221.12581	1.7
225.88954	1.7
242.11356	13.9
327.20187	11.3
355.19791	5.6
373.83673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20835	1.3
64.65387	1.3
65.90172	1.2
70.06585	1.9
81.97625	1.4
107.04990	2.2
109.06607	1.5
110.07193	3.3
135.06662	11.9
177.03621	2.4
187.09929	1.9
210.07050	6.0
218.06340	2.1
220.07767	16.4
233.08661	3.5
246.05685	16.9
247.06483	3.9
251.09589	100.0
255.55724	1.5
257.63120	1.6
259.06458	13.5
272.12531	1.7
274.25821	1.4
277.07523	75.7
295.08572	15.5
305.72058	1.5
347.07022	1.8
427.12665	13.3
453.10928	7.8
471.11850	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1433
Annotation	(+)-Ampelopsin A
Peak:m/z	Relative Intensity
53.43937	11.2
54.95391	12.6
57.91756	12.3
58.40403	13.1
61.67008	11.3
62.25122	12.8
62.65382	13.5
66.84909	11.1
68.86950	12.8
77.48625	14.4
78.84373	14.2
79.78484	17.3
86.09664	18.2
89.23260	13.3
89.29647	13.9
91.05500	38.6
93.07014	23.1
95.04969	19.1
105.07053	21.9
107.04967	89.7
121.06495	38.7
124.63598	14.6
127.65225	14.4
128.82301	16.1
129.06975	15.5
152.49687	16.1
185.05888	19.8
199.07547	59.6
211.07568	61.7
225.09152	23.1
273.12964	16.5
397.14288	38.1
425.13754	28.5
453.13406	100.0
471.14273	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	471.1436
Annotation	Parvifolol A
Peak:m/z	Relative Intensity
53.03903	3.8
55.01855	5.9
71.21391	3.9
72.08143	4.9
80.58689	3.8
81.03422	21.5
91.05477	21.8
95.04996	6.5
97.02868	18.0
99.64716	4.4
103.05476	9.7
105.07031	6.6
107.04938	35.4
109.02896	33.5
110.03677	10.9
119.04937	14.2
120.05724	12.0
121.06523	24.7
125.02361	21.6
140.74327	4.6
141.06979	12.9
145.06483	6.4
152.06192	15.2
153.07042	8.1
155.08557	10.9
165.06915	22.0
167.08554	25.2
168.05707	12.6
169.06490	12.1
170.07246	4.7
171.61700	4.5
176.06282	10.1
177.07030	13.6
181.06485	11.8
183.08026	35.4
185.09657	6.0
187.07625	7.5
195.08029	59.0
196.05215	13.7
197.05949	12.4
198.06766	13.9
199.07556	10.2
211.07542	33.3
213.09062	100.0
213.11021	7.3
215.02364	4.7
215.06963	36.4
229.08565	89.5
241.08603	14.5
243.06551	11.8
257.08002	31.3
273.08276	5.3
276.59021	5.2
415.15222	6.3
425.13770	12.2
429.33746	5.7
443.14740	28.3
453.13055	13.1
471.14224	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1437
Annotation	Parvifolol A
Peak:m/z	Relative Intensity
53.99964	23.0
57.50722	22.5
58.20991	25.7
70.06593	34.1
73.12543	30.4
91.05479	76.4
91.71564	37.0
97.17757	21.9
97.28724	25.4
103.05450	29.8
107.04903	31.4
109.02792	24.4
119.04971	38.7
183.08047	29.3
184.96495	25.3
187.49060	28.1
205.90158	29.4
226.06216	40.2
229.08644	100.0
232.49863	28.0
241.08685	38.9
251.52263	30.5
257.08054	42.7
277.84872	28.7
279.06500	27.9
324.89676	31.1
471.38171	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	471.144
Annotation	Gnetin G
Peak:m/z	Relative Intensity
56.64175	1.2
59.48568	1.0
60.67931	1.1
63.52513	1.2
65.03912	1.8
68.07889	1.0
72.47502	1.2
77.64400	1.3
91.05461	2.6
95.04963	4.1
107.04931	1.7
109.02924	1.8
116.07090	1.3
119.04986	1.4
120.05729	5.9
128.06244	4.3
129.06961	1.6
143.08594	1.5
152.06276	3.2
153.06975	6.8
155.08582	1.7
169.06480	1.6
181.06416	6.4
183.08066	3.1
199.05704	1.9
199.07529	33.3
199.09276	2.5
213.05574	3.0
213.09125	2.2
220.26225	1.3
225.05438	2.8
226.06230	100.0
227.07005	34.1
239.06949	12.0
240.07858	3.3
283.07831	1.5
350.75494	1.5
425.13739	2.7
453.13269	75.3
454.13751	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	471.1803
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
53.83995	16.8
67.05516	28.4
68.67041	19.4
77.19151	20.1
81.07089	22.4
91.05509	44.2
93.07069	24.8
95.04962	34.6
105.07083	21.4
107.05002	55.7
121.06561	46.0
124.39456	21.7
132.08081	27.6
137.06029	72.5
142.55675	22.9
176.69351	23.0
181.06604	52.7
183.08116	26.4
211.07611	59.0
227.07138	85.9
229.08438	38.7
239.07010	26.8
241.08708	42.6
254.09390	36.8
255.10318	28.5
269.11740	23.6
355.60965	22.4
357.40396	22.9
471.17755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.0
57.03420	21.6
61.02915	42.4
62.47625	7.7
67.05495	80.7
69.03422	45.8
69.07046	29.2
71.04995	8.6
71.07627	8.6
73.02911	19.7
79.05486	19.9
81.03396	15.1
81.07041	100.0
83.08584	18.2
85.02890	56.4
91.03944	30.1
91.05471	18.7
93.07040	25.7
95.08588	59.1
97.02887	41.5
101.05912	7.5
105.07034	12.3
109.10155	23.4
119.08602	17.6
121.10094	22.1
122.18533	8.9
123.11694	16.6
127.03908	25.7
133.10120	16.6
135.11729	11.7
136.81308	8.6
145.04887	11.7
217.19490	13.3
234.39268	10.0
309.24164	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62296	0.8
55.05505	11.9
63.23396	1.0
69.07061	2.0
70.06583	9.0
71.86646	1.1
72.08153	4.5
76.26671	1.2
82.06587	2.2
83.08609	12.6
84.04535	1.4
84.08150	2.8
85.06534	1.2
86.09708	2.2
98.09670	1.7
100.07612	4.2
100.11249	100.0
101.11634	2.0
110.06044	2.1
111.04433	6.6
112.07572	1.9
113.98542	1.0
117.13893	2.4
126.09169	1.4
127.08662	1.4
128.07089	5.0
139.08670	1.5
140.07076	2.7
182.15384	19.6
182.16858	1.3
209.16518	10.5
210.14862	24.3
228.15987	2.6
245.18529	2.0
274.97141	1.2
435.33499	1.8
453.34406	3.7
471.35382	68.4
472.35901	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	471.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	16.7
60.08147	21.4
66.86963	8.7
67.05493	18.7
70.06573	81.5
70.42419	7.4
71.04964	29.0
71.08617	17.1
74.03098	9.2
87.93154	9.0
93.07043	11.7
95.08607	19.7
116.07088	29.6
140.32484	10.0
178.71674	10.7
210.74934	10.3
237.22101	16.5
277.85959	11.1
334.55716	11.1
342.60632	10.3
387.90051	13.6
394.29730	14.6
416.95215	10.9
469.49411	10.7
471.37958	100.0
483.43784	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.3
57.07068	7.3
57.26638	5.4
58.31174	5.8
58.72960	5.9
58.88283	5.4
69.07053	12.2
70.06581	100.0
71.04986	41.5
71.85310	6.4
88.03976	33.6
90.90680	6.8
109.24650	6.6
110.27570	7.4
112.07578	8.9
128.07074	8.5
130.08618	44.3
140.84674	6.8
147.16064	6.8
150.66061	7.1
172.09676	13.7
412.34183	20.6
471.41354	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91843	0.8
55.05503	4.2
57.03429	7.5
57.07068	0.9
58.06595	44.3
59.07376	14.6
60.08155	14.8
61.67694	0.7
67.05495	3.1
69.07063	5.7
73.02953	1.0
75.04472	5.1
79.05486	1.6
81.03841	1.6
81.07069	3.1
83.08624	3.5
84.08158	1.3
85.02912	2.9
87.04466	5.6
91.70998	2.1
93.05553	0.9
93.07040	1.8
95.08607	2.1
98.06063	1.3
121.10169	1.1
128.05650	1.1
131.07042	2.2
144.10173	9.1
162.11270	3.1
236.14917	100.0
267.46463	1.1
418.92029	1.3
454.35272	15.2
467.79761	1.1
472.36322	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	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46368	0.9
55.05507	7.0
57.03428	6.0
57.07050	2.3
58.06591	65.1
59.07107	1.3
59.07375	18.6
60.08153	17.5
61.40393	1.0
62.51041	0.9
62.66463	1.0
67.05492	7.5
69.07061	10.6
75.04472	4.6
79.05472	2.2
81.03829	1.8
81.07059	7.8
83.08603	5.1
84.08146	1.3
85.02906	3.5
87.04443	3.5
91.05463	2.7
93.07030	4.0
95.08578	4.4
97.10179	1.6
104.74013	1.3
105.05502	1.3
107.08563	1.4
109.10103	1.3
109.95713	1.0
113.06030	1.4
120.72425	1.4
121.10152	2.7
131.07057	2.7
135.11676	1.4
142.79735	1.3
144.10188	10.2
153.35190	1.3
154.26622	1.1
189.88034	1.2
190.59200	1.4
218.13896	1.6
236.14912	100.0
273.79047	1.4
408.45584	1.5
454.35208	17.3
455.36026	1.7
472.36307	82.3
473.36612	2.7
476.00500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04105	3.3
55.05494	12.0
57.03412	7.4
58.06593	75.7
59.07370	22.3
60.08148	22.8
67.05497	7.0
69.07051	12.2
81.07040	12.3
82.28737	4.1
83.08605	4.9
87.04482	5.6
93.07041	12.8
95.04955	4.3
95.08596	12.6
97.06552	5.9
109.91254	4.8
110.68684	4.0
111.91671	4.7
117.69952	3.8
144.10156	13.1
236.14902	96.1
284.84744	4.9
454.35233	23.4
472.36261	100.0
473.35895	5.6
482.58392	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	472.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33685	2.5
55.05511	14.3
57.03417	4.6
57.07063	6.0
58.06309	4.8
58.06593	80.0
59.07374	19.2
60.08162	16.1
69.07047	13.9
71.08619	3.5
75.04461	3.6
75.99527	3.0
81.07111	2.9
82.30127	2.9
83.08606	10.3
85.02905	3.4
87.04469	6.1
97.10174	6.0
98.09802	2.9
107.08693	4.0
112.77126	2.8
113.05991	3.9
141.35353	3.0
143.01697	3.3
144.10199	16.4
193.37973	3.2
236.14899	91.8
320.84158	3.5
344.95703	3.5
454.35159	33.5
472.36313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12024	3.1
56.05032	5.2
56.32923	2.4
58.99592	8.6
67.98779	2.9
69.52402	2.9
70.06599	9.8
72.08141	3.6
76.01860	3.1
76.02245	14.5
78.14320	3.0
84.04496	93.6
86.00645	32.4
86.06089	11.3
86.09709	6.2
88.04005	6.9
91.71641	7.1
98.93005	3.5
101.00593	90.8
102.67167	3.7
105.00098	5.7
121.06546	3.5
122.02724	50.4
130.04996	37.1
130.05728	3.3
132.01144	100.0
132.02061	6.1
142.03279	6.6
144.04887	8.0
152.01666	4.7
154.04979	6.6
156.06612	5.6
167.07025	38.5
173.02643	8.2
188.03764	8.7
190.05312	41.7
199.08005	3.4
205.12346	4.5
214.05286	4.3
223.13307	17.4
246.57103	3.3
251.06944	67.2
256.06464	5.4
319.09583	51.6
344.15515	7.6
473.19708	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38960	2.7
60.00214	2.7
63.19290	3.0
68.50667	3.5
70.06584	15.3
70.71327	3.5
72.08150	9.9
84.04491	10.4
84.08131	7.7
85.02891	7.6
86.09689	17.0
91.05480	8.2
100.11239	5.3
107.41189	4.0
121.06494	5.7
142.05571	3.8
149.05965	100.0
159.10614	4.4
205.12196	33.2
212.96707	5.0
225.10042	4.1
251.06958	9.0
276.01251	4.2
472.35696	7.2
473.16074	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02845	1.5
50.17115	1.3
53.34982	1.3
57.85928	1.4
60.00869	1.5
68.49857	1.3
69.58636	1.4
84.85397	1.4
86.09691	3.2
102.18311	1.8
119.62720	2.0
133.05925	1.7
178.23376	2.0
226.27748	1.9
299.13156	2.5
329.15814	5.6
411.20035	13.6
413.17999	9.3
473.19891	100.0
486.27576	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05590	6.6
62.19723	8.4
70.06580	18.6
70.07754	9.0
76.74766	7.8
79.05491	8.0
81.07014	9.6
86.09704	35.8
101.79404	11.9
105.64182	10.5
108.86945	9.8
124.96963	9.2
140.30757	8.9
156.44667	9.9
158.66722	8.7
190.04909	9.8
216.18344	10.3
332.32101	14.2
350.26978	10.0
411.20245	18.6
473.19858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50514	2.5
70.06581	4.6
72.08150	3.6
83.44123	2.8
86.09687	6.4
88.82754	3.1
89.84638	2.7
90.76290	2.9
92.00111	2.9
105.76723	2.8
115.92754	2.8
122.20330	2.9
129.10182	3.2
167.10663	6.4
247.65500	3.3
265.22467	3.0
329.15543	3.4
411.19830	11.1
473.19870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30406	2.3
50.61707	1.6
57.27699	2.1
66.01905	1.8
70.02452	1.9
95.38988	2.3
105.07032	3.8
117.07008	2.4
134.07292	6.2
135.08046	100.0
184.07332	2.3
205.50922	2.2
295.17432	4.7
473.34363	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	473.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	74.3
58.53599	21.7
61.60901	18.5
63.00100	23.8
72.22723	24.2
78.78276	21.0
80.10107	24.4
84.04530	100.0
86.70995	22.6
98.44028	29.4
104.80703	25.2
128.07086	69.0
165.53650	26.3
167.77382	25.9
172.09711	58.6
180.98755	30.1
267.15204	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99498	3.8
55.05511	34.7
57.07066	17.5
67.05493	6.0
69.07069	39.1
71.08612	9.0
79.05466	6.4
81.07048	32.4
83.08611	75.7
83.33552	4.6
85.10162	5.6
91.05485	9.5
91.71045	5.9
93.07029	44.0
95.08599	14.7
97.10168	8.8
105.07047	13.2
107.08578	31.5
109.06538	4.9
109.10142	7.1
119.08532	6.0
121.10154	19.5
127.07570	10.3
131.08569	7.3
135.11722	7.5
143.08571	8.4
145.10120	7.7
147.11676	12.3
149.13263	43.0
152.36833	5.1
157.10100	7.2
176.72096	6.0
178.03598	4.9
191.10669	10.6
245.15279	7.8
329.24713	100.0
473.32748	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	473.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.1
60.08148	14.8
62.23954	3.9
67.05490	17.2
69.07045	10.3
70.06580	70.1
71.04978	27.5
71.75352	4.1
74.02426	8.9
75.32976	4.2
81.07038	18.0
83.08601	8.3
88.07603	6.5
95.08582	19.3
109.10130	11.2
112.07596	5.9
114.05545	5.8
116.07091	53.9
146.67928	4.3
147.67679	4.4
158.08127	14.3
284.60529	4.9
326.72284	4.9
347.53641	4.3
473.39471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.1
57.99421	3.6
59.06122	4.8
60.08150	22.4
62.20090	4.0
67.05484	14.8
69.07051	7.2
70.06586	66.1
71.04980	21.3
74.02434	14.4
81.07047	19.7
83.08645	7.7
88.07602	10.8
95.08593	29.3
96.26924	5.3
97.10158	8.2
109.10121	11.2
112.07586	6.7
116.07099	43.0
127.52737	4.9
158.08102	26.3
175.22830	5.4
178.70740	5.9
221.22098	5.7
355.26410	5.1
473.39374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.6
59.06115	27.8
60.08160	14.5
67.05492	14.1
69.07050	6.6
70.06583	70.4
70.96836	5.0
71.04987	25.4
74.02428	9.9
75.74099	4.7
77.04577	5.4
81.07032	8.9
87.66946	5.9
88.07619	11.0
91.70960	6.9
95.08583	22.1
109.10130	5.3
110.60834	5.2
112.25083	5.8
114.05540	8.3
116.07088	55.1
122.84763	5.7
142.95648	5.8
152.57133	6.4
238.27399	7.9
320.48203	6.0
378.30252	7.7
414.31784	8.7
473.39453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69114	9.3
60.08148	27.2
61.24671	8.7
69.79160	7.6
70.06579	97.6
71.04966	27.2
74.02433	11.8
83.08640	11.1
93.08501	9.6
116.07082	72.6
158.08183	11.9
177.74408	12.6
473.39343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89622	0.8
69.07067	4.2
74.02419	0.9
83.56777	0.7
85.02900	1.9
86.09702	100.0
87.05583	1.0
92.38381	0.6
97.02858	0.8
103.89886	0.7
132.10204	65.6
133.06102	2.6
145.04929	0.9
181.45285	0.8
201.88103	0.8
236.16399	0.8
255.06987	0.7
315.17911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.0
69.07050	3.9
85.02872	2.3
85.03311	0.7
86.09692	100.0
87.09959	0.7
97.02878	1.0
100.77792	0.8
110.86615	0.8
122.09627	0.9
127.03970	0.8
132.10187	62.0
137.05983	1.2
145.04875	1.4
153.87791	0.6
158.08105	1.1
159.08482	0.8
166.08636	6.1
180.07642	0.8
268.16370	0.8
328.13922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.1
56.96552	3.8
67.05487	16.6
69.07034	5.3
71.08598	4.1
74.35793	4.0
79.05482	11.1
81.07053	12.6
91.05473	11.3
92.63023	4.0
93.07035	13.7
95.04972	6.5
95.08612	18.9
105.07047	9.0
107.04994	11.3
107.08604	6.0
109.06521	14.6
113.41936	4.5
119.08660	5.3
121.06506	17.4
123.08088	51.3
133.10133	7.2
137.05998	22.0
142.48514	5.0
154.08635	7.1
179.14302	79.5
265.18088	22.9
321.24258	100.0
322.25021	16.3
323.25348	4.7
333.24237	22.2
367.52725	5.2
443.65656	5.1
457.20206	6.0
498.16580	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	474.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31678	2.2
58.06585	8.6
68.60896	2.9
69.92066	2.4
70.01622	2.6
77.00606	12.3
85.85932	3.0
87.80252	2.7
89.06054	14.0
91.05803	8.3
95.01629	47.4
100.27345	3.2
102.03745	4.5
114.07365	17.6
118.03208	100.0
118.04020	6.4
119.01648	3.6
121.03146	8.1
122.16480	3.3
144.04800	6.3
145.06802	22.3
147.04720	24.0
153.54315	3.7
177.11162	3.3
179.07472	3.4
189.09409	80.7
189.11026	5.2
236.14824	16.5
239.09500	8.0
277.14630	44.0
277.91534	3.9
469.59799	4.1
471.10013	3.8
474.38000	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	474.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48518	1.5
56.05010	7.0
58.06595	3.2
61.36569	1.6
62.70313	1.5
65.74110	1.5
66.37522	1.5
68.55663	1.5
69.07043	11.6
70.06590	15.4
70.06918	2.9
71.76886	1.6
72.08134	6.3
74.06074	14.3
78.19454	1.6
80.19841	1.5
84.04495	22.7
84.08118	2.5
86.09697	100.0
87.10010	2.1
101.07143	14.6
102.05520	2.1
107.04951	19.1
110.07159	10.0
120.08093	2.2
130.04997	31.9
142.12270	7.1
143.11792	3.3
147.07635	47.2
187.14409	40.6
187.15984	3.7
215.13872	21.8
232.36311	2.0
260.15979	42.4
308.11530	3.1
309.59497	2.0
319.07312	2.1
320.87485	2.0
323.13840	9.1
328.22406	3.5
474.29291	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.0
57.07066	2.4
58.71274	2.3
59.93134	0.9
60.93392	0.8
63.30281	0.9
67.05492	3.7
69.07056	4.2
71.04969	1.0
71.08636	2.4
75.11584	1.0
79.05480	1.2
81.07043	3.6
83.08601	2.0
85.06529	1.4
86.09755	1.0
91.05446	3.4
93.07030	2.8
95.08585	7.2
99.08085	1.5
105.07022	2.1
107.08604	2.8
107.70535	0.9
109.06508	13.7
109.10178	2.5
111.08093	2.2
119.08582	3.0
121.10142	2.9
123.04420	2.6
123.08063	45.1
123.08953	2.4
135.08040	2.9
137.05995	11.4
137.09612	2.1
145.10178	1.7
149.09665	1.0
152.07076	1.7
154.08652	3.9
170.69348	1.1
179.14299	100.0
180.14658	1.3
187.14886	1.2
193.15933	1.4
205.15953	1.3
265.17950	24.6
284.16937	1.2
321.24216	96.0
322.24911	17.6
323.25879	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.5
57.07063	14.3
57.39074	6.6
58.06586	35.8
59.07381	12.5
60.05645	6.8
60.08142	9.1
69.09064	6.8
69.82074	7.8
74.41947	8.2
80.11618	7.1
87.04452	11.4
102.79400	9.7
132.10190	7.8
144.10143	8.0
162.15346	8.2
236.14883	100.0
456.36697	12.3
474.37982	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49634	2.7
52.36925	2.5
57.03433	7.9
57.07059	12.1
58.06595	59.7
59.07382	18.3
60.08158	21.6
67.05482	5.1
71.08611	11.8
75.04474	6.6
81.07024	4.9
84.28518	3.0
85.02893	4.1
87.04472	4.5
93.13765	3.4
94.27444	3.0
140.90933	4.4
144.10225	7.4
203.55862	3.4
210.90276	3.5
236.14909	100.0
246.91628	3.8
251.96890	3.9
313.27707	4.1
456.36841	19.5
459.50104	4.0
474.37897	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77191	4.8
69.03405	16.2
76.00753	5.1
81.03394	14.9
81.07058	8.2
85.02894	85.0
87.35813	5.8
95.08595	8.1
97.02879	29.5
99.04459	47.0
103.03933	93.3
109.02845	14.7
123.11714	17.4
125.90271	6.4
126.49148	5.8
127.03918	100.0
145.04953	45.2
151.11195	17.1
161.61520	6.1
163.06024	40.1
169.12262	31.9
179.03558	6.5
187.06044	9.2
188.87480	5.8
206.84753	6.4
220.87086	6.5
252.94908	7.1
304.24173	7.2
316.80853	6.5
372.39545	8.0
393.83209	7.2
408.63324	6.9
475.13776	9.0
475.32361	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	475.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45668	0.9
53.60217	0.7
54.23715	0.6
56.63696	0.7
60.72680	0.7
69.03843	0.9
70.02954	2.4
74.02433	33.3
86.09713	2.2
87.05583	38.1
88.03974	8.4
116.03467	6.2
116.69217	0.8
128.77707	0.8
132.10193	2.2
133.06082	100.0
134.04492	2.8
217.94565	0.9
219.13426	1.0
473.01251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.19970	0.4
55.05494	1.4
57.03416	0.8
57.07068	2.7
57.90844	0.4
59.05003	0.9
61.02905	0.8
67.05488	4.7
69.03426	8.6
69.07056	1.7
70.06600	0.5
71.04979	4.3
73.02894	0.8
76.13966	0.5
79.05457	1.0
81.03419	3.7
81.07049	6.3
83.04970	4.8
85.02895	10.4
85.06530	12.1
91.71030	1.3
93.07030	1.0
95.04958	1.8
95.08600	1.9
97.02892	4.6
97.06557	0.8
99.04446	8.9
99.08092	0.6
100.00007	0.6
103.03934	8.5
105.07026	1.5
107.08584	1.5
109.02884	5.0
109.06507	2.4
109.10151	10.9
111.08064	1.1
113.06006	4.1
121.10123	4.3
123.08039	1.4
123.11705	13.7
124.14677	0.6
127.03904	14.2
130.12267	0.6
133.10080	0.6
139.11198	4.4
145.05002	3.5
151.11166	7.2
153.12732	1.9
163.05960	1.4
169.12227	100.0
170.12549	1.4
171.50237	0.6
198.97919	0.6
251.46919	0.6
331.17062	0.6
413.21405	0.9
475.21442	8.8
475.32260	1.5
485.83856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03240	2.0
53.03942	2.9
53.86052	1.9
58.41919	1.9
60.02056	2.1
60.31422	2.0
61.02914	3.8
64.75013	2.2
69.03414	14.4
71.04985	6.3
79.05484	3.0
81.03411	13.6
81.07059	14.2
85.02895	75.4
86.09707	4.2
91.05462	9.3
91.05978	2.0
91.71651	4.3
93.07034	34.4
95.04991	3.5
97.02884	24.1
99.04448	42.3
99.30720	2.1
101.74359	2.9
103.03933	94.6
105.07037	14.7
107.08606	3.3
109.02876	15.3
109.06494	3.2
123.11752	5.5
127.03908	100.0
133.10129	8.6
145.04947	48.9
145.10117	2.6
151.11154	25.2
163.05998	40.6
169.12216	4.5
178.73813	2.7
186.07643	2.7
187.06020	3.9
222.42029	2.9
271.08038	5.0
303.39178	2.9
307.10406	5.9
401.85165	3.0
471.73087	3.0
475.32333	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08141	0.5
55.05496	1.1
57.03409	0.7
57.07049	2.7
66.58890	0.6
67.05504	4.8
69.03420	7.0
69.07048	1.1
70.06566	1.6
70.97266	0.6
71.04986	3.4
79.05473	0.5
81.03389	1.4
81.07040	7.3
83.04967	2.6
85.02518	0.6
85.02902	7.6
85.06075	1.0
85.06538	14.3
86.09685	1.2
93.07022	1.2
95.04960	2.1
95.08572	2.0
97.02881	3.0
97.06502	0.8
97.86687	0.7
99.04407	3.1
100.12785	0.7
103.03932	3.2
105.22533	0.6
107.08588	2.0
109.02847	0.9
109.06508	3.0
109.09415	0.6
109.10152	11.6
111.08054	1.9
113.05981	3.2
120.83036	0.7
121.10150	3.3
123.08020	0.9
123.11700	11.8
125.09637	1.2
127.03931	6.2
139.11159	4.1
145.04939	1.5
151.11176	6.2
163.05920	0.9
169.12228	100.0
170.12547	0.8
177.80827	0.7
241.11098	0.6
475.21664	1.4
475.32425	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	475.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16596	1.8
56.96560	47.6
57.07064	4.7
58.06588	20.3
59.07366	5.6
60.08145	8.4
66.21793	2.0
67.05488	2.6
71.95251	7.1
74.14593	1.9
84.64408	2.2
87.04469	2.8
95.08584	2.6
97.99173	4.4
111.71132	2.2
139.01840	3.3
144.10188	3.3
236.14932	27.4
237.15312	9.5
323.73538	2.5
341.17853	100.0
382.20398	31.2
415.21512	8.9
432.94415	2.5
456.36914	5.4
470.56601	2.7
474.37726	14.6
475.32880	11.7
475.38733	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	475.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07800	1.7
56.96561	44.5
57.03455	2.3
57.07069	3.9
58.06594	23.4
58.06849	2.7
59.00673	2.3
59.07380	5.0
60.08156	4.3
71.95274	4.7
72.96030	2.7
75.04489	3.1
80.08486	1.9
81.51501	2.6
83.77968	2.0
93.07046	2.5
93.19760	2.3
95.08665	2.6
97.99210	3.4
98.12408	2.1
100.66550	2.4
106.19962	2.1
139.66519	2.5
144.10226	3.7
234.08238	3.1
236.14857	25.6
237.15320	4.5
341.17828	100.0
342.18375	2.8
359.18710	2.8
382.20499	26.2
415.21747	8.7
456.36862	4.1
457.28854	2.9
457.37463	4.2
474.37762	13.8
475.32355	10.7
475.38556	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07066	3.2
85.57020	2.8
89.03898	6.9
91.05439	3.7
117.03378	13.2
145.02831	29.3
149.06035	6.2
155.47441	2.8
158.05969	5.3
177.05452	100.0
180.29263	3.0
186.05469	20.7
195.06528	23.3
209.98529	3.2
211.61081	3.7
236.76587	3.4
475.32452	24.5
492.20840	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42116	0.7
55.05489	1.3
57.03424	1.3
57.07038	0.9
65.03920	1.3
69.07030	1.6
79.04890	1.1
83.08591	1.7
91.05473	15.3
95.05025	0.9
109.43195	1.2
119.04924	31.6
139.85609	1.0
147.04401	100.0
148.04723	1.0
179.64926	1.0
217.80020	1.2
234.76329	1.2
236.14848	1.5
249.66660	1.0
260.28799	1.4
276.31998	1.1
475.30807	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	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
57.07053	0.8
63.93705	0.5
64.97527	0.6
65.03919	2.1
69.07068	1.0
71.08604	0.6
73.01376	0.6
82.16723	0.7
83.08587	1.0
88.32771	0.7
89.42561	0.7
91.05477	13.3
103.03895	0.9
114.10632	0.7
119.04936	31.8
123.11137	0.8
133.06490	0.8
147.04402	100.0
150.82269	0.7
156.64799	0.8
243.40121	0.8
266.09109	0.8
293.01862	0.7
329.26770	0.9
377.41449	0.8
475.30801	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87704	15.6
54.94963	17.7
56.19467	16.3
57.03415	23.4
57.07064	60.5
60.15246	16.9
61.02911	66.5
64.77075	19.6
67.05497	32.4
69.03410	41.8
69.54794	17.5
70.07362	19.0
71.08606	65.1
81.03411	24.2
81.07043	43.7
85.02893	80.5
85.10175	33.3
91.03902	27.0
91.70934	22.5
95.08604	28.0
97.02879	78.2
106.46672	20.4
111.68914	23.0
119.30852	20.5
126.55650	19.1
239.23680	29.8
266.60272	22.8
298.54306	23.2
313.27420	96.4
374.95538	23.6
475.32535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54930	14.8
55.05506	19.8
57.03417	25.2
57.07064	60.4
61.02899	42.0
64.71166	14.3
67.05502	32.9
69.03411	40.2
71.08604	47.9
73.02902	29.1
81.03384	24.6
81.07034	42.3
83.08601	18.7
85.02886	75.2
85.10174	18.2
86.35278	14.7
91.03928	22.4
95.08578	39.8
97.02872	73.2
97.03418	15.8
109.10153	24.3
113.16871	17.4
158.60507	20.1
194.43085	17.2
239.23700	32.1
263.13605	17.0
313.27325	100.0
434.33347	20.8
475.31851	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33937	11.0
61.30516	9.5
64.99382	8.7
64.99769	9.4
71.98568	9.7
85.02913	14.0
86.07030	11.4
99.04506	11.3
100.61168	9.3
106.06599	44.8
108.08115	53.8
124.07630	33.3
127.04021	14.8
134.06042	24.0
136.07587	16.2
152.07033	100.0
153.22617	12.1
170.08191	40.4
200.86935	10.9
221.14607	12.9
285.90231	12.4
423.08481	13.6
476.17801	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83234	2.5
54.24490	2.7
56.75423	2.5
57.65368	2.8
58.06588	4.4
59.35726	2.7
60.08150	21.1
67.04237	36.8
67.05808	2.8
68.05015	7.5
69.05798	7.0
70.06578	6.7
70.62881	3.2
72.83838	2.9
78.29688	2.4
78.49957	3.0
86.09693	7.1
91.71649	5.7
95.04965	3.9
95.06059	6.6
98.00640	7.2
107.04965	5.9
123.04419	7.2
125.01687	30.8
126.02483	12.4
127.03255	100.0
143.02777	3.2
175.48174	3.5
180.01163	5.0
200.57802	2.9
214.07394	5.0
215.07993	4.8
247.05469	5.7
249.75975	3.6
273.65634	2.9
355.11084	21.8
414.18472	10.2
432.19534	68.3
476.18564	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09682	3.1
91.05459	8.7
93.07027	12.1
100.02934	3.1
103.03957	3.9
105.07021	3.8
107.08572	29.1
127.03905	3.9
135.11685	100.0
152.77568	2.8
154.32813	3.0
163.05960	3.2
206.18631	3.4
316.61395	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08889	1.1
55.05508	10.7
57.03210	1.1
57.03435	12.6
57.75529	1.1
64.32660	1.3
67.05496	51.0
69.07068	11.4
70.01996	1.3
70.09521	1.2
79.05492	15.6
79.77314	1.3
81.07047	39.2
83.08630	3.3
91.05474	12.1
93.07033	26.0
95.04984	3.0
95.08598	32.3
105.07023	5.2
107.08580	10.3
109.10175	8.3
117.07059	2.3
119.08565	4.7
121.10148	6.8
123.11745	2.4
130.46526	1.5
131.08524	2.9
135.11690	4.1
145.10139	3.0
147.11665	2.6
149.13229	1.8
175.01396	1.7
180.14627	1.7
261.22223	2.0
304.26193	2.4
320.22162	2.0
335.25766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20792	3.1
52.59216	3.1
55.05498	12.2
57.03429	6.1
59.92066	3.1
60.76632	3.0
62.06081	56.9
67.05495	42.7
69.07052	13.6
79.05495	20.6
81.07055	43.5
83.08638	4.5
91.05472	17.5
93.07031	27.4
95.08598	29.4
97.06569	4.8
98.98441	14.9
99.45826	4.0
105.07045	6.3
107.08588	13.4
109.10165	8.0
119.08576	8.6
121.10128	8.7
123.08027	6.0
131.08572	8.6
133.10136	8.2
145.10060	5.0
155.01083	7.2
179.14391	7.6
216.06329	5.1
239.11673	4.0
261.21988	6.7
291.78967	4.3
301.74548	4.9
304.26379	10.8
321.24252	5.3
322.24753	4.6
323.25000	4.6
335.25778	100.0
476.27338	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	476.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82468	2.4
52.90609	1.7
55.96681	1.8
60.71745	1.9
91.05472	71.8
91.06026	4.0
100.93982	2.0
104.24843	1.8
105.07084	3.2
106.06535	2.4
121.39417	2.3
135.08047	100.0
141.78850	2.6
181.10126	3.3
198.12762	40.2
198.14442	3.1
258.88309	2.5
279.94641	2.1
303.13104	2.6
330.45859	2.7
475.32721	3.5
476.30386	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	476.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	9.1
91.05467	38.5
95.04951	3.2
103.05448	7.7
105.07024	77.5
107.08590	4.7
121.62367	1.4
121.84000	1.5
125.45145	1.7
133.06487	54.1
135.08043	100.0
140.21294	1.6
151.07549	17.0
172.73131	1.7
173.67238	1.7
198.12735	25.9
235.93550	1.7
268.62173	1.9
279.17734	33.3
475.32788	2.3
476.32761	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	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74122	1.9
70.06577	5.9
72.08148	3.1
84.08142	4.1
86.09695	5.3
87.04450	13.3
89.06019	100.0
105.78018	2.2
107.07076	2.2
113.57522	2.2
117.81544	2.2
129.67462	1.9
130.08647	22.5
131.07016	2.9
131.12546	2.0
133.08594	73.7
177.11198	27.1
221.13863	5.8
269.49557	2.4
283.17462	3.0
459.27979	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	477.1038
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
58.43736	0.2
69.03395	0.1
69.57995	0.2
70.06594	0.3
71.05012	0.2
73.02912	0.2
73.35370	0.4
76.19392	0.2
77.25556	0.3
79.32769	0.2
81.41468	0.2
85.02893	0.4
95.01688	0.2
103.03905	0.2
123.11668	0.3
149.05966	0.2
153.01802	0.7
169.12234	1.6
170.12593	1.3
171.12816	0.3
229.04968	0.7
257.04318	0.3
258.05206	16.7
259.05630	0.4
283.50656	0.2
286.04694	39.7
287.04996	0.7
301.07034	100.0
302.07382	1.8
317.29782	0.3
345.93277	0.2
348.67032	0.2
417.33771	0.2
422.84872	0.2
477.10300	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	78.0
65.43521	73.1
67.88327	76.8
134.83092	84.1
164.76833	91.7
167.13177	94.3
177.37471	98.5
191.01691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81387	4.5
53.85383	4.2
57.22618	3.8
57.61020	5.0
58.83005	4.3
74.69745	5.2
77.61342	5.0
89.03918	11.0
112.68530	5.4
117.03360	26.0
145.02834	32.9
146.94109	5.3
149.05957	6.6
158.05960	11.5
177.05444	100.0
177.34164	5.4
186.05435	35.0
211.18799	5.1
308.01382	6.5
381.28073	6.3
398.03091	7.0
399.20901	5.6
405.26733	5.5
445.96448	5.5
469.39703	5.7
477.28482	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	477.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28354	3.7
54.90511	3.7
69.07041	4.1
80.61824	3.7
141.25540	4.0
445.29190	29.3
477.31827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87022	3.8
56.96545	3.7
63.96185	3.7
71.31440	3.8
81.07066	5.4
89.23891	5.3
91.70995	10.5
112.87599	4.1
116.07775	4.6
162.23521	5.2
180.56412	5.0
221.21106	5.4
274.28009	5.4
349.20724	5.3
445.29318	14.3
477.31848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.2
67.05492	1.6
69.07060	1.2
89.03911	7.8
91.05476	1.2
93.07070	1.7
95.08597	2.4
117.03398	12.4
117.69621	1.4
126.26398	1.3
134.03690	1.5
135.04381	2.2
145.02841	24.7
145.08138	1.4
149.05992	7.8
158.06017	4.0
174.01350	1.3
177.05457	100.0
186.05470	21.3
195.06534	11.9
205.65178	1.3
219.21208	1.6
391.42288	1.5
397.32480	1.7
445.77490	1.5
457.82788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66732	1.0
55.05482	1.1
57.03431	10.3
61.02910	1.2
61.74322	1.1
68.19586	1.2
69.03405	3.4
69.25333	1.1
70.06585	1.5
71.01311	1.3
71.04984	71.1
71.05382	3.5
72.56915	1.2
73.02892	2.7
75.04480	6.8
80.59238	1.2
81.03417	1.5
83.04973	9.6
85.02897	100.0
86.06069	2.5
87.04456	2.5
97.02884	5.8
99.04436	1.7
107.04924	4.6
111.04443	3.5
127.03908	3.5
129.05472	31.9
131.04941	2.7
147.06522	10.7
149.05954	1.5
164.09195	6.7
188.09204	3.0
219.06456	1.8
235.09480	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	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77233	16.2
60.27507	14.9
64.69253	14.7
67.05476	15.5
69.03422	25.0
70.06585	20.1
85.02881	63.7
97.02878	17.6
98.99662	17.9
99.04475	33.3
103.03927	52.2
127.03917	62.5
136.84895	21.0
137.09634	100.0
145.04927	52.8
146.77293	21.1
163.06023	51.5
274.36243	21.3
321.18701	21.7
398.86020	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	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38877	16.3
63.64229	16.0
81.03415	27.4
85.02879	74.1
95.08614	20.3
97.02873	31.1
99.04459	28.9
103.03941	68.3
123.11731	16.8
127.03917	100.0
145.04950	38.5
152.15990	20.1
158.01733	18.4
166.34239	17.6
307.76328	21.6
436.81601	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	478.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86016	2.8
60.08143	4.0
70.06576	7.4
72.08125	4.8
84.04506	21.3
84.08139	3.9
86.09696	36.1
119.46042	3.3
120.08099	100.0
130.04990	24.6
130.12274	10.5
147.07661	33.2
157.13388	12.7
165.10240	5.0
171.39499	4.0
185.12901	9.6
185.84326	3.7
258.01273	3.7
259.06024	5.8
275.05551	4.8
276.13358	4.1
277.11734	6.2
294.14584	25.6
303.04938	7.0
332.19794	4.6
343.77438	3.8
421.04770	4.6
426.93500	4.5
487.08237	4.3
498.19720	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	478.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.8
58.31978	17.1
67.05482	57.5
69.07058	99.6
74.00646	58.6
74.44003	18.9
81.07053	99.6
83.08613	32.4
88.03984	24.2
93.07086	20.7
95.08595	87.1
101.04184	18.2
109.10165	51.5
115.28816	22.0
120.01151	83.0
121.10134	30.2
123.11729	37.5
125.98361	19.5
130.85326	19.5
147.11629	25.3
153.27113	20.3
154.03215	46.7
200.03894	38.2
203.71075	23.1
208.99066	22.6
252.27356	21.8
349.19427	22.5
360.92636	30.6
391.53537	24.4
396.25677	85.9
424.25342	44.6
442.26248	28.0
460.27124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05494	20.3
57.07051	4.8
60.74317	4.4
62.05792	3.9
62.06081	55.8
62.09731	5.5
64.72206	4.6
65.84798	3.6
66.29923	3.3
66.42212	4.9
67.05498	50.1
69.07055	26.4
75.54697	3.8
75.73360	4.0
77.34916	4.6
79.05493	5.7
81.07045	51.4
83.08594	8.3
91.05442	8.6
93.07031	11.6
94.75506	3.9
95.08603	39.5
97.10140	4.9
98.56120	4.9
98.98468	13.1
105.07040	4.6
107.08603	5.4
109.10161	10.4
125.64057	4.7
178.55737	4.4
213.16861	4.8
216.06183	4.8
263.23761	10.3
298.30453	5.5
306.27771	10.2
337.27365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29136	1.7
52.12251	1.9
55.05509	17.8
57.03432	12.9
57.07081	2.0
58.47863	1.5
59.42138	1.5
67.05495	47.2
67.05832	3.4
67.38200	1.9
68.17715	1.9
69.07057	26.4
79.05501	7.6
81.07047	41.0
81.07471	3.6
83.04971	2.2
83.08614	12.5
91.05490	5.1
93.07057	9.5
95.08595	31.4
97.06591	2.8
97.10187	5.2
105.07043	6.2
107.08605	5.3
109.10213	8.0
119.08601	6.8
121.10201	3.4
123.11759	2.9
133.10152	4.8
147.11621	2.3
230.54337	2.2
252.70723	2.2
257.56839	2.2
283.69830	2.4
306.28094	4.9
337.27316	100.0
338.27689	4.6
416.70157	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	478.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04059	5.7
50.30293	7.0
55.01859	26.5
57.07059	11.1
60.90583	6.8
69.07067	10.4
70.06580	9.4
71.04975	29.6
71.08614	8.9
81.07056	11.1
86.06120	7.2
87.43314	7.5
93.07008	8.5
96.74648	7.1
97.06498	22.4
98.09680	25.2
102.28773	8.4
106.17492	9.0
122.06025	17.3
122.71496	8.1
124.07595	29.3
136.07576	80.1
140.07057	48.3
204.13805	20.5
222.14822	100.0
322.43521	9.8
460.37744	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0817
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
70.06582	1.2
120.08136	1.7
123.00700	1.0
129.10190	1.2
130.48900	1.2
131.39899	1.1
135.04411	3.2
169.01303	4.5
175.12860	1.2
175.99812	1.2
241.13814	1.3
274.46152	1.1
303.04935	100.0
414.26862	1.3
479.08197	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	479.0819
Annotation	Isoetin 4'-glucuronide
Peak:m/z	Relative Intensity
52.25264	1.7
53.00851	1.7
53.01164	1.7
57.50765	1.8
68.99781	6.7
70.06577	4.2
83.15265	1.9
84.66148	2.0
85.02904	5.3
86.09688	4.8
89.36817	2.2
91.05470	2.9
95.08566	2.3
110.06032	3.9
112.52857	2.3
117.75395	1.8
119.04926	28.2
121.02859	31.2
123.47392	2.2
139.00250	47.7
155.00978	2.3
157.01334	4.9
185.00880	3.6
242.96558	2.7
257.04379	61.1
269.04483	2.4
285.03882	78.8
293.76544	2.4
303.04950	100.0
315.14362	2.7
478.19308	3.1
479.19943	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0823
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.56913	0.3
56.04186	0.3
57.35560	0.3
67.20766	0.3
68.99774	0.4
70.06564	0.7
72.08128	0.3
73.36658	0.3
77.65195	0.3
84.04490	0.5
85.02878	0.5
86.09670	1.1
88.08042	0.3
91.71029	0.8
117.03339	0.5
120.08118	0.4
123.00781	1.2
135.04413	3.7
137.02367	1.8
169.01314	4.9
187.02359	0.6
257.04434	1.2
285.03937	0.8
303.04962	100.0
304.05319	1.7
395.91205	0.4
421.20282	1.3
470.19864	0.3
479.08411	2.6
479.21252	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49379	0.7
63.80935	0.7
64.77852	0.7
69.31244	0.7
70.06585	1.9
71.59685	0.8
72.08146	1.0
81.58678	0.8
86.09710	1.7
105.00004	0.9
120.08081	1.0
135.04398	4.6
137.02406	1.0
169.01276	4.8
176.08012	0.8
186.79918	0.8
209.58138	0.9
227.52275	0.9
231.31233	0.9
257.04538	1.0
281.23587	0.9
303.04959	100.0
304.05203	2.0
402.58905	1.0
418.21362	0.9
458.10205	1.1
479.08093	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	479.1738
Annotation	ZHD-0501
Peak:m/z	Relative Intensity
50.24240	5.8
58.55114	5.7
67.96777	6.9
70.06583	25.8
76.75467	6.4
130.12833	6.3
417.17282	23.0
419.15286	14.4
479.17276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38315	0.9
51.82889	0.8
54.40534	0.9
60.60046	0.9
62.59169	0.9
69.03417	1.4
70.06565	3.4
71.67856	1.1
81.04581	1.1
83.24242	1.0
84.04473	1.8
84.08120	1.9
86.09695	3.4
99.04407	0.9
112.84204	0.9
120.08076	1.3
129.10245	1.1
161.07127	1.4
164.07057	1.6
171.07857	2.2
172.05095	1.7
172.08748	4.6
173.09497	2.4
187.07404	8.2
199.07399	14.7
200.08163	1.4
216.07755	2.3
216.10098	4.7
243.08748	26.8
243.11090	1.8
244.09523	100.0
245.10091	2.9
257.10391	2.9
311.91690	1.6
362.13522	3.5
368.90338	1.2
378.15314	11.1
379.16107	36.8
479.17538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.8
55.05497	5.9
58.29839	5.3
65.92740	5.5
67.05489	31.5
68.65095	5.6
69.07047	8.2
71.04990	11.5
74.23462	5.6
80.12747	5.4
81.03411	8.9
81.07026	14.5
83.00587	5.8
85.02879	7.5
85.06517	7.7
86.09671	7.7
89.06003	6.6
91.05473	15.0
91.35822	6.0
93.07050	8.8
95.04951	16.6
95.08595	11.8
99.04449	39.4
99.56142	5.9
105.07034	20.5
107.08589	21.7
109.06514	61.0
109.10148	48.0
117.40729	5.9
121.10143	12.4
123.08062	40.7
127.03902	100.0
131.08589	45.5
133.10103	16.8
134.62511	7.2
135.08051	70.4
145.10118	8.1
149.09654	6.7
154.46638	7.2
158.68079	6.4
173.13210	45.9
191.14323	79.6
213.82314	7.3
258.06210	7.8
314.37418	7.2
500.27347	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	479.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.8
59.54609	10.3
67.05476	21.2
77.42677	10.8
79.05491	12.2
81.03394	12.5
81.07051	20.8
85.02893	34.1
85.06579	9.0
91.90771	12.0
95.04998	13.2
95.08613	19.4
97.02900	16.7
99.04471	58.1
103.03955	58.1
105.07008	11.6
107.08613	14.9
109.06529	39.0
109.10149	48.0
123.08080	26.8
127.03905	100.0
129.74754	11.8
131.08597	32.9
133.10144	15.3
135.08086	48.9
145.04973	24.7
163.06081	21.1
173.13258	28.1
191.14330	49.3
192.35150	11.5
223.37468	12.3
231.66721	13.8
285.44617	13.6
409.30118	13.9
497.03128	12.7
503.11841	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	479.2282
Annotation	Divaricin B
Peak:m/z	Relative Intensity
74.49998	5.6
81.07076	8.1
164.34300	6.6
306.49365	6.6
365.20740	10.3
397.23303	15.5
479.22708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87046	7.9
56.15753	9.3
56.96561	100.0
64.35468	9.6
67.05520	12.4
91.05510	15.0
97.99181	11.3
108.99858	11.0
122.48949	10.6
126.26662	9.7
131.00188	29.0
141.59981	11.9
149.01245	19.0
154.01762	50.8
172.02887	23.3
195.04526	31.9
387.18430	29.6
401.20074	42.7
405.19388	15.1
410.20020	21.2
419.20880	63.8
460.23114	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	479.2623
Annotation	Striatin C
Peak:m/z	Relative Intensity
60.29782	1.6
62.58452	2.2
72.68414	1.7
79.22834	1.8
81.07061	3.3
81.44809	1.9
119.08507	2.3
156.05428	27.1
157.06252	10.1
189.05244	6.6
197.08148	7.5
204.43880	2.3
205.02988	2.8
206.03781	2.3
217.58296	2.0
317.15598	6.5
318.16174	8.8
319.17020	2.9
350.15253	6.0
359.18408	2.9
367.13596	11.9
452.22610	2.4
479.26190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57595	6.0
60.02871	5.7
62.57413	6.6
63.78460	7.8
87.62103	8.3
93.80388	7.5
150.99596	7.9
169.50494	7.7
174.23260	8.2
253.50357	9.6
313.67709	8.5
419.27792	16.0
479.29681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44902	4.8
52.26632	5.1
59.68204	4.9
69.07075	7.2
69.14938	6.7
85.74481	6.0
93.07080	6.1
200.38110	5.5
223.22061	6.5
288.93195	6.5
305.06308	6.1
307.43967	7.5
479.29791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98453	4.4
55.05495	29.2
57.03432	7.7
62.43966	5.3
67.05493	100.0
68.45837	5.3
69.07044	11.1
77.44736	8.0
79.05472	25.1
81.07043	64.8
83.08607	19.2
91.05473	21.7
93.07047	43.5
95.04983	7.3
95.08581	39.9
97.06522	6.8
97.10186	15.2
105.07021	12.7
107.08578	28.1
108.34126	6.2
109.10129	54.3
117.07004	7.2
119.08582	18.4
121.10149	24.4
125.09624	13.2
131.08577	18.8
133.10126	14.6
135.11685	13.4
137.13242	8.1
142.86903	6.4
145.10159	12.3
147.11717	9.8
149.13268	8.4
150.69960	5.7
159.11688	13.5
173.11783	7.0
173.13263	8.4
189.11230	7.2
215.17897	14.8
229.14380	13.2
233.18941	16.9
238.56950	7.3
307.22467	8.3
461.32669	28.4
479.33353	11.0
501.80301	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	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.1
57.03426	6.3
67.05497	28.2
69.07060	14.9
71.08627	3.8
79.05489	17.2
81.07049	100.0
83.08611	5.8
83.53287	3.7
91.05455	9.6
93.07050	19.6
95.08601	15.7
105.07006	9.0
107.08588	12.9
109.10152	10.3
119.08656	4.3
119.52688	4.1
121.10159	8.8
131.08575	8.2
133.10162	7.0
135.11771	4.0
143.06987	5.4
145.10141	4.7
149.13243	9.5
159.11678	8.7
170.87486	5.1
173.13322	5.2
173.75389	4.4
174.64171	4.0
201.11290	12.2
219.76894	4.1
223.43126	4.0
225.60080	3.8
235.80458	4.7
244.12447	4.1
332.54233	4.3
335.25754	12.0
461.32727	12.4
479.33762	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55834	13.0
52.40842	12.0
55.05487	20.4
57.07070	100.0
66.72527	13.1
69.07055	45.0
71.08625	75.6
81.07040	45.7
83.04961	18.0
83.08621	26.4
85.10175	39.7
91.71090	36.2
93.07056	36.7
95.08603	35.1
101.06004	27.2
107.08614	32.2
127.07572	79.3
129.05486	71.5
201.26993	21.4
217.94653	19.2
307.30035	26.2
321.61053	20.7
354.82635	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	480.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08127	4.6
51.63835	5.5
53.00301	5.5
57.03438	5.5
57.54905	5.6
58.92050	5.6
63.66732	4.9
69.03439	17.5
70.06601	9.8
85.02911	33.1
86.09718	15.6
87.25185	6.3
91.74039	6.5
97.02921	13.1
99.93853	5.6
109.02975	7.1
110.07156	7.5
116.46502	6.3
121.10130	6.9
122.21905	6.1
123.04405	67.9
178.03203	59.0
318.07910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30973	0.3
91.05463	2.8
93.07040	5.2
95.04958	1.7
103.05454	3.3
121.06498	100.0
122.06815	1.6
137.05991	1.6
138.09135	28.1
154.08592	0.5
180.96933	0.4
301.87137	0.4
411.30728	0.5
481.14679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2595
Annotation	Anthriscifolcine C
Peak:m/z	Relative Intensity
57.03416	0.2
61.02901	0.3
62.04525	0.1
69.03417	1.0
70.06564	0.2
71.04965	0.2
73.02905	0.1
75.83421	0.1
78.03404	0.1
79.05446	0.1
79.07663	0.1
81.03389	0.4
81.07049	0.6
81.07425	0.1
84.08141	0.2
85.02890	1.4
87.04459	0.2
87.04997	0.1
91.05465	1.0
93.07019	0.2
97.02857	0.5
99.04444	0.2
105.05801	0.1
105.07024	0.4
109.02856	0.2
109.06492	0.3
117.06972	0.2
118.06522	0.6
119.04926	0.5
119.08541	0.3
121.10155	0.8
123.04392	0.2
123.11713	0.3
127.03912	0.4
136.07512	0.1
137.05980	2.4
137.96060	0.1
146.05989	0.9
147.04433	0.5
147.11699	0.4
147.56461	0.1
149.04709	0.9
149.05853	0.2
161.05974	0.5
162.05516	0.2
163.06224	0.1
164.07053	100.0
165.07399	0.8
189.09094	0.4
199.07480	0.1
227.10803	0.1
300.19611	0.3
318.20715	0.3
338.85535	0.2
480.25885	12.1
481.25848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91100	14.6
55.05504	28.7
56.03653	13.4
67.05500	36.7
69.07050	36.9
74.81716	14.8
81.07047	100.0
83.08598	31.3
85.06544	17.6
85.30966	13.6
88.85916	15.3
95.08589	87.0
105.06990	15.9
107.08611	32.9
108.54146	14.3
109.10143	51.3
123.11712	15.4
135.77470	17.3
154.03215	20.7
408.25488	20.0
426.26779	40.9
444.27808	85.0
462.28836	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	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.32761	1.8
53.80622	1.8
55.05503	21.4
57.03427	7.4
57.07060	8.7
62.06078	53.1
67.05496	19.8
69.07056	34.1
81.07048	19.3
83.08619	22.3
85.10157	3.2
90.54748	2.5
91.71042	2.8
93.07050	5.6
95.08589	25.9
97.10154	12.2
97.67475	2.7
98.98454	8.8
107.08588	5.5
109.10137	8.5
111.11731	3.6
116.46298	2.5
121.10127	6.7
123.11731	4.3
124.01606	3.2
135.11716	5.3
142.02600	3.0
155.01048	6.4
208.36325	3.5
216.06268	3.6
234.43433	3.3
265.25287	4.6
308.29456	13.5
315.56635	2.9
339.28922	100.0
340.29147	3.3
344.96371	3.5
379.18192	3.4
419.25443	4.9
480.30667	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	480.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35075	6.1
57.06798	7.6
57.07067	100.0
59.04992	47.7
71.08624	69.9
72.40681	6.3
76.18452	6.6
78.30299	6.7
81.11636	6.7
84.70014	6.2
85.10176	48.2
89.06031	7.2
91.39544	6.2
99.11723	8.4
117.09116	11.1
133.73868	6.6
158.11794	12.7
233.44249	7.1
271.26370	11.6
315.28912	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	481.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87251	3.9
59.78765	4.1
68.87209	5.0
69.03403	7.2
69.07048	8.5
71.46299	4.9
75.45478	5.2
77.80693	4.4
81.03409	8.9
85.02888	12.5
86.09715	7.3
89.06010	7.7
91.05469	12.5
91.71443	22.6
91.97941	5.9
95.08587	7.6
99.04456	13.3
103.03942	13.5
105.07030	15.8
105.12096	5.2
107.08608	9.6
109.02857	8.7
119.08582	67.7
121.10139	7.9
127.03909	23.3
133.10115	67.6
145.10121	10.8
147.11670	22.6
175.14821	100.0
177.16389	8.8
185.47610	6.6
205.15858	13.5
222.45633	6.3
465.76184	6.8
473.30954	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	481.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	6.4
59.12351	3.2
75.89818	3.6
81.07063	4.0
95.91772	3.7
118.29694	4.3
161.35529	4.3
163.14264	4.3
355.22339	16.5
396.24982	6.5
398.81778	5.3
481.29184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	2.0
58.06586	2.5
61.09209	1.9
79.39111	1.9
81.07094	2.8
95.19465	2.0
184.80908	2.3
187.07582	2.7
280.28497	2.8
313.42499	2.8
347.63995	2.7
355.22479	15.8
365.53717	2.5
389.51309	2.8
396.24869	3.3
480.44785	2.8
481.29178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63958	5.7
61.40039	6.0
66.94778	6.1
70.06581	13.0
72.66335	7.8
81.31083	7.7
88.31628	7.4
91.05499	16.7
93.07043	18.5
103.05487	9.6
107.04980	21.0
121.06487	69.2
121.71941	8.4
125.81961	7.0
137.06017	10.9
144.04855	7.8
144.08086	37.3
210.58423	8.6
212.18147	9.1
254.11882	9.1
348.15881	100.0
351.88092	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63958	5.7
61.40039	6.0
66.94778	6.1
70.06581	13.0
72.66335	7.8
81.31083	7.7
88.31628	7.4
91.05499	16.7
93.07043	18.5
103.05487	9.6
107.04980	21.0
121.06487	69.2
121.71941	8.4
125.81961	7.0
137.06017	10.9
144.04855	7.8
144.08086	37.3
210.58423	8.6
212.18147	9.1
254.11882	9.1
348.15881	100.0
351.88092	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78986	0.6
55.05490	0.7
56.05025	1.2
57.07060	3.0
57.22815	0.6
58.06589	1.4
59.31068	0.8
60.08156	19.0
67.05476	0.7
68.43550	0.7
69.07059	0.8
71.06997	0.8
71.07361	7.9
71.08615	2.3
78.72569	0.8
81.07046	1.1
82.91547	0.7
85.10172	1.1
86.09697	53.2
91.71034	1.1
95.08574	0.8
98.98454	3.3
104.10735	100.0
106.76962	0.7
125.00001	21.8
163.01614	0.8
165.89529	0.7
166.02676	1.0
184.07330	77.1
222.83362	0.7
299.25787	1.6
398.12936	0.9
414.07599	0.8
464.31219	5.4
482.32349	16.9
497.01102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	9.8
71.07363	3.1
72.47655	2.3
86.09696	40.3
121.06532	3.8
124.99973	23.8
184.07343	100.0
388.80109	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	482.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86853	6.2
55.05498	15.5
57.07074	22.6
58.06588	7.0
58.44072	7.4
67.05480	14.4
69.07051	33.2
70.06575	30.1
70.72878	7.3
71.08612	18.3
72.14340	9.4
83.08622	10.3
88.07625	36.9
89.06017	98.3
91.71661	11.1
99.04428	13.3
102.09152	22.9
124.56217	9.8
130.08685	12.8
133.08588	58.6
148.33311	10.3
200.20151	54.9
201.20377	9.7
209.23390	9.6
271.64011	9.5
283.17496	38.7
309.27893	33.7
482.45682	100.0
483.30679	49.4
505.27454	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	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06544	6.2
72.11910	5.8
81.95306	6.3
82.50331	5.9
106.34510	5.9
136.06192	20.9
483.14621	100.0
498.11252	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	28.1
57.03424	13.0
57.07072	15.5
57.73124	2.5
67.05470	4.6
69.07053	42.0
69.25388	3.1
71.08616	9.1
78.49245	2.8
79.05466	2.9
81.07063	7.2
83.08625	32.9
85.10173	5.7
93.07042	5.8
93.83749	3.1
95.08593	9.0
97.10161	19.8
98.98461	11.0
106.46086	3.3
109.10159	4.1
111.11728	3.8
121.10137	4.5
155.01089	7.4
196.18604	3.0
311.25766	100.0
312.25763	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	484.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	100.0
70.06935	7.1
71.21738	3.0
76.13069	4.3
84.04504	17.9
84.08123	6.1
86.09709	28.5
90.65125	3.7
106.49612	3.5
132.08134	4.0
144.06544	23.8
150.99681	4.1
160.07655	14.3
161.09227	25.9
164.99663	3.7
175.68890	3.8
178.08569	18.4
183.14980	17.5
185.09378	4.0
208.32956	3.9
211.14473	7.6
328.04028	4.3
371.23257	8.7
417.58890	4.6
484.31564	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	485.069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	9.8
67.05479	12.1
70.06586	29.6
70.65285	8.9
86.09670	19.3
89.50007	9.0
93.75052	9.2
113.55431	11.8
118.00120	11.6
123.08080	11.0
136.76517	12.3
157.71608	11.9
168.80096	13.3
199.19377	13.9
309.03659	100.0
350.06363	37.0
383.54337	14.7
485.07397	20.0
485.19998	31.3
485.35419	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	485.123
Annotation	Cassigarol G
Peak:m/z	Relative Intensity
50.85560	0.7
51.37657	0.7
51.49215	0.7
57.40825	0.7
61.72655	0.7
63.03881	0.7
64.56565	0.8
74.51801	0.8
83.80970	0.7
91.71546	2.0
95.04945	1.1
105.03393	1.7
115.05416	1.0
121.02868	5.0
123.04432	1.0
128.06291	1.2
136.01564	0.8
141.07002	5.5
142.07770	1.6
150.10800	0.8
152.06198	1.4
153.06972	2.0
153.68591	0.9
155.04857	0.9
169.06474	5.8
170.07257	0.9
170.67810	0.8
181.06447	6.2
193.12601	0.8
197.05962	25.4
198.06738	34.8
199.07513	7.2
209.06038	1.2
212.04750	1.3
213.05447	3.2
225.05409	15.3
226.06177	2.5
227.06770	1.0
230.05737	28.9
241.05063	4.0
242.05678	7.1
243.06406	5.1
255.06473	17.3
255.08897	1.5
266.08112	1.1
271.07599	2.0
289.08652	1.2
317.08069	1.3
318.09027	1.2
421.10355	1.1
423.12161	1.4
439.11902	1.1
467.11203	100.0
468.11502	2.7
485.12238	33.5
486.12558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09080	7.7
63.66796	8.5
81.50520	8.6
85.02912	9.3
91.71403	16.1
104.01846	8.2
107.04936	14.8
121.02851	11.0
124.82561	8.0
140.77219	8.9
145.07278	9.9
150.76457	8.6
178.94604	10.5
197.05983	18.8
202.20958	9.1
239.07086	10.3
239.86888	10.9
268.97525	11.3
301.56061	11.8
310.80869	10.7
353.81528	12.8
409.08066	11.5
467.11151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00943	3.3
56.96560	100.0
65.96172	4.0
68.77200	3.5
69.16314	3.6
74.15006	3.6
94.94361	6.4
97.99183	9.8
98.80603	4.0
98.97574	53.9
105.07036	13.4
116.98623	30.1
120.17016	4.3
120.43282	4.4
124.99138	9.2
128.98616	6.2
134.99684	13.6
140.00165	47.2
143.00162	43.4
158.01271	19.5
161.01186	47.8
166.01753	66.6
181.02879	20.3
184.02780	53.1
185.01253	16.6
203.02412	7.5
207.04388	42.2
226.03882	16.3
237.04257	9.9
246.74864	5.7
260.05930	8.9
286.07617	12.8
365.09158	7.3
425.12857	14.6
443.13800	9.6
466.15576	35.8
485.14810	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.3
57.03433	11.3
57.07070	18.9
67.05493	24.9
69.07056	10.0
70.22600	5.8
71.08607	12.4
72.31753	5.3
79.05479	11.4
81.07047	24.5
82.91662	5.9
85.10149	8.8
91.05479	29.1
93.07037	23.4
95.08611	27.3
98.98459	100.0
104.66998	6.9
105.07050	17.5
107.08558	16.9
108.68649	6.1
109.10166	8.5
114.85522	6.1
117.07015	22.0
119.08603	10.7
121.10165	10.3
127.01568	39.4
129.07001	7.1
131.08577	25.2
133.10098	12.1
135.11732	8.6
140.01108	13.3
145.10092	15.8
152.39308	7.6
155.01045	19.0
159.11742	17.3
173.13217	6.5
183.04201	28.3
201.05214	9.2
201.16328	12.6
267.21057	18.5
285.22119	21.3
313.27469	21.7
359.25903	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	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78145	3.9
53.39080	4.6
57.03419	11.8
57.07069	37.0
59.30927	4.5
63.78443	4.0
67.05497	9.8
69.07041	7.9
71.08617	26.2
81.07035	11.4
83.08624	10.4
85.10172	13.4
95.08603	14.4
98.98475	9.8
100.57046	5.3
118.42471	4.6
180.57730	5.1
226.36670	6.7
265.73492	5.7
311.97546	5.3
313.27335	100.0
453.68393	6.6
459.32272	6.0
495.44489	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	485.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
55.05500	0.7
55.39518	0.3
57.03428	0.6
57.07066	2.0
58.04960	0.3
65.03930	1.1
65.63131	0.3
67.05499	1.3
67.50653	0.3
69.03413	1.0
69.07059	0.9
71.04995	0.7
73.02923	0.4
78.04724	0.4
79.05489	1.2
81.03410	0.9
81.07047	1.6
85.02902	1.1
85.06532	2.4
91.05470	53.1
91.70985	0.6
92.05835	0.4
93.07037	1.2
95.04961	0.3
95.08587	0.5
97.06538	0.4
103.05433	0.4
103.95260	0.4
104.06248	4.1
105.07024	10.0
107.08530	0.5
109.06506	0.9
111.08077	1.7
123.08103	0.6
127.07530	1.4
131.08546	0.5
133.10120	100.0
134.10506	0.9
147.08054	3.1
149.09598	3.6
150.12753	1.2
153.09105	1.4
165.09261	0.4
171.10147	1.8
189.11221	0.8
212.74454	0.7
356.74292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2897
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.10634	0.4
51.69173	0.5
53.00295	0.5
55.05491	1.8
55.21975	0.5
57.03414	0.5
57.07061	1.7
58.27103	0.5
65.03930	1.9
67.05501	0.9
69.03424	1.4
69.07081	0.6
71.05006	0.5
71.08602	0.7
79.05483	1.0
81.03394	0.8
81.07048	1.4
83.04950	0.8
84.13924	0.5
85.02900	0.9
85.06053	0.5
85.06538	1.8
91.05476	54.2
93.07022	0.6
95.08627	0.7
97.06483	0.6
104.06223	4.2
105.07026	10.3
108.36668	0.5
111.08069	1.6
125.09632	0.9
127.07562	1.3
133.10127	100.0
134.10439	1.1
137.09579	0.5
147.08047	3.1
147.10117	0.5
149.09590	3.0
150.12743	0.8
152.10286	0.5
153.09030	0.9
167.80397	0.6
171.10176	2.2
182.62679	0.6
198.12672	0.5
212.74614	0.7
313.27469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
61.01131	8.3
66.85484	2.1
69.07055	24.8
75.43131	2.8
86.27946	2.5
91.05459	4.3
105.07027	5.2
114.49812	2.7
119.08580	52.1
119.09370	4.7
121.40644	2.5
133.06508	4.4
133.10132	8.8
135.08044	73.8
145.42450	2.4
147.08070	2.6
159.12065	8.6
177.09100	100.0
179.10684	36.4
287.09387	3.0
304.15488	2.6
410.02539	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	486.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34782	13.9
67.05495	29.7
69.07049	54.0
75.98411	14.0
76.02203	26.9
79.32824	13.2
81.07040	35.8
93.07030	35.2
94.14138	16.3
95.08579	30.8
97.06526	17.7
105.07036	24.4
109.10198	18.2
122.02713	50.3
127.03905	19.1
154.57527	15.6
279.08493	16.2
312.68323	17.4
347.22076	100.0
362.43347	18.6
401.48206	17.9
468.11594	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11470	0.9
51.79160	0.9
52.76188	1.0
67.05517	1.1
67.13320	1.1
70.06588	1.6
79.05518	1.8
86.09725	1.5
89.66640	1.0
90.05580	1.2
91.05489	3.3
93.07053	2.3
105.07040	1.5
107.04971	1.8
107.08615	2.5
110.06075	2.7
113.85969	1.2
121.06548	3.4
122.03204	1.2
123.04401	1.8
137.42186	1.2
148.05243	2.9
149.05957	1.5
155.17500	1.1
156.06593	4.0
160.05264	1.8
160.07565	1.3
161.06024	1.6
161.09251	3.7
162.05585	5.4
164.07086	2.2
168.10274	2.1
176.07098	6.8
177.07838	100.0
177.84457	1.3
178.08649	5.0
179.07274	1.3
186.09210	1.6
197.05972	2.7
198.06697	2.3
199.07411	3.4
218.12215	1.3
222.14967	1.8
227.10397	1.7
230.05762	2.0
231.06137	1.6
238.08167	1.3
256.07071	1.3
280.13397	1.7
316.60040	1.3
326.13937	3.9
344.18549	34.0
352.09793	1.2
468.11539	12.1
486.12842	4.9
486.28348	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	486.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.9
57.02828	7.7
57.55308	8.4
58.87768	8.1
65.03960	12.1
67.05491	50.2
69.07077	16.9
71.05006	13.0
71.08631	8.2
79.05501	64.6
79.05882	8.3
81.03412	19.1
81.07046	99.4
81.07390	9.4
91.05467	100.0
93.07044	54.6
95.04999	18.6
95.08634	12.1
105.07059	46.3
107.04986	19.9
107.08574	51.7
109.06564	43.5
113.92446	11.4
117.07053	28.9
119.04971	17.8
119.08594	24.7
121.06548	16.6
121.10136	25.3
123.08160	15.6
129.07066	18.7
131.08633	42.5
133.06577	17.3
135.08095	12.6
137.05934	65.9
143.08655	17.9
145.10239	11.3
147.08058	20.4
149.06032	11.7
149.09688	27.0
159.08124	15.9
161.09633	17.8
173.09575	11.0
237.12538	14.2
315.19739	45.8
365.66211	12.5
397.64783	13.9
418.93814	12.7
468.27618	13.7
486.28384	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	44.4
67.47134	10.9
75.54736	10.1
81.09158	10.4
87.04468	31.6
88.34972	10.7
89.06032	36.3
90.96528	11.1
91.04190	9.5
91.71650	14.5
93.07037	23.3
98.07864	11.0
121.06490	62.3
133.08597	16.9
165.09125	37.5
169.42519	13.5
271.15369	100.0
315.49579	13.4
383.27734	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16724	6.7
66.25990	6.0
67.98265	6.3
69.11434	7.6
71.08688	7.1
71.26788	7.5
87.04436	9.9
105.07059	22.6
133.06548	14.4
135.08069	100.0
147.10074	7.8
161.64679	8.3
165.03728	18.4
187.09256	8.0
233.06352	9.0
268.32846	7.9
277.16519	9.5
295.17303	65.8
315.82382	9.0
454.32138	8.2
485.47260	8.8
486.47968	9.4
497.82874	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	486.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84310	8.0
56.03448	8.7
57.07066	54.6
63.00043	100.0
63.49368	8.3
71.08614	33.7
81.82088	10.6
84.15536	9.3
85.10202	11.2
87.04478	17.9
89.06023	30.8
104.02672	25.0
107.02623	48.1
107.15503	8.8
133.08586	17.1
146.33228	9.8
151.05202	37.1
195.07835	26.5
212.47749	11.1
286.74533	11.8
301.13968	25.4
393.76462	10.8
417.81686	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	486.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
57.03420	6.3
57.07061	5.6
58.06593	52.4
59.07372	15.3
60.07887	2.0
60.08155	14.4
67.05486	5.3
68.91602	2.0
69.07061	12.2
69.08592	2.2
71.04941	2.0
71.08620	3.9
75.04488	4.5
79.05479	3.0
81.07046	5.6
82.16685	2.0
83.08607	6.1
85.02911	3.8
87.04465	3.8
91.71616	3.4
95.08602	4.5
97.10123	2.8
98.06026	2.2
111.79501	2.3
141.05151	2.3
144.10173	11.6
145.71161	2.4
173.04225	2.4
236.14915	100.0
253.01605	2.9
295.07074	2.4
312.93503	2.4
314.27695	7.6
445.19550	2.5
461.18622	2.9
468.36737	16.3
486.37851	74.6
487.38043	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	486.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77721	3.5
57.03422	8.0
57.07066	4.6
58.06594	59.1
59.07367	14.8
60.08152	17.2
67.05488	14.6
69.07069	8.5
70.91721	4.2
75.04478	4.7
76.33637	4.1
77.17987	3.5
81.07063	9.5
86.81093	4.3
87.04451	9.3
90.84975	3.9
91.05476	8.4
93.07029	7.4
98.98450	9.0
134.63680	4.0
135.51100	4.3
137.06010	21.1
144.10135	10.7
154.08638	4.7
204.74210	5.2
236.14919	100.0
283.10037	4.3
289.64093	4.6
468.36874	20.4
486.37759	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01051	2.9
54.98241	2.7
55.05516	2.9
56.05014	4.7
57.08302	2.9
58.99577	6.6
65.66976	3.2
67.05474	5.9
69.07050	11.3
76.02213	18.1
79.05470	10.2
79.87411	4.0
80.04995	3.6
81.07039	12.7
84.04495	83.7
86.99051	5.3
91.05457	11.0
91.71040	5.5
91.71542	7.8
92.23082	3.5
93.07029	18.9
93.38509	3.9
93.77961	4.0
95.08578	6.0
102.05538	6.3
105.00099	6.8
105.07029	12.9
107.04966	4.8
107.08590	11.0
109.06533	6.8
117.07041	11.2
119.08572	13.1
121.06517	11.9
122.02728	78.5
123.08107	6.0
130.04996	16.6
131.08560	12.3
133.06544	4.8
133.10106	4.1
135.08058	18.4
142.03252	4.7
145.10135	6.7
149.09602	6.0
149.13251	5.0
151.07542	10.2
157.10080	5.9
159.11708	14.8
163.07544	8.5
177.09184	4.8
177.12799	8.3
181.08624	7.5
181.92215	4.2
183.11696	8.3
188.03767	13.2
194.79715	4.8
219.13818	15.9
234.04482	6.9
237.14833	100.0
243.57832	4.9
245.32062	4.2
251.06979	40.0
325.11063	4.4
335.85098	4.6
487.21194	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	487.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
53.97995	1.7
54.23721	1.5
55.01855	2.4
56.05027	1.8
57.03430	2.2
61.02928	2.8
69.03415	24.5
69.07059	2.4
70.06578	11.3
71.04984	3.9
71.45387	1.7
73.02910	4.3
79.05504	2.1
81.03402	19.7
81.07047	9.9
83.04989	2.4
84.08186	2.2
85.02895	63.8
86.09692	9.8
91.05473	7.5
91.71768	1.7
92.49106	2.2
93.07023	9.9
95.04976	24.6
95.08586	3.2
97.02887	28.2
97.06532	2.3
99.04451	27.2
100.33531	1.8
103.03260	3.3
103.03938	56.2
105.07040	10.5
107.08582	11.5
109.02875	17.1
109.06507	2.9
111.04475	2.2
113.29156	2.0
115.03946	1.9
117.07012	2.4
119.08611	7.2
119.40160	2.1
121.06522	7.7
121.10141	14.1
121.11538	2.1
127.03906	74.0
130.07790	4.9
135.11716	8.1
137.89819	2.0
143.44431	1.9
145.04939	39.1
145.10100	16.8
147.08067	7.8
161.09610	2.5
163.06004	15.2
163.11168	100.0
165.09125	3.9
169.04947	3.0
181.12151	2.5
187.06026	5.1
223.13222	4.2
247.08167	5.3
271.08170	3.5
271.13080	2.8
289.14575	2.8
330.53705	2.1
353.68625	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	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.3
57.07050	9.3
60.69574	8.6
67.05490	100.0
67.51960	8.0
69.07043	14.8
72.08138	47.2
73.08475	11.0
74.09701	10.0
79.05464	46.5
81.07052	68.1
89.29797	8.3
91.05478	30.2
91.71043	11.0
93.07029	70.4
95.04967	9.9
95.08614	50.0
105.07009	26.5
107.08585	35.0
109.10155	21.3
117.07013	11.4
119.08589	21.8
121.10137	40.7
123.11697	24.2
131.08577	23.3
133.10100	21.4
135.11726	37.6
145.10092	24.1
149.13292	21.4
159.11624	18.1
215.17982	45.1
233.18982	36.9
280.37610	12.4
307.22705	14.7
320.45682	12.0
407.29446	10.4
456.14673	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	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74650	5.7
55.05493	20.0
57.07059	6.6
59.11846	5.3
66.08159	6.7
66.34545	5.9
67.05499	100.0
67.77702	6.4
69.03430	7.6
69.07069	16.0
71.66299	5.9
77.03664	6.0
79.05480	66.8
81.07052	96.2
83.08622	11.4
89.54568	6.0
91.05451	40.8
93.07034	93.4
95.04946	11.2
95.08601	56.1
104.31719	6.0
105.07035	30.3
107.08595	48.6
107.79354	6.6
109.10162	32.0
116.30064	7.5
117.07027	13.9
119.08602	34.1
121.10153	50.3
123.11709	29.0
131.08591	38.6
133.10159	25.4
135.11681	67.9
137.09666	7.2
145.10149	32.5
147.11703	19.8
149.09633	9.5
149.13214	35.3
159.11674	27.8
171.88351	7.4
173.13235	16.1
187.86212	9.6
202.58728	8.6
205.19489	11.5
215.17957	56.1
233.19077	56.6
296.67953	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	488.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52642	1.8
62.69225	1.8
64.95473	2.0
65.03925	3.3
72.80746	1.9
89.22828	1.9
91.05473	100.0
91.06044	5.3
93.81614	1.9
94.93079	1.9
95.83498	2.1
106.06550	5.4
108.08113	2.4
114.46030	2.0
120.08077	2.8
134.07822	2.0
165.12830	2.4
170.77383	2.2
181.10172	6.1
187.56834	2.5
198.12810	8.1
230.84578	2.5
351.56509	2.5
419.93262	2.7
488.35217	25.5
500.08850	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	488.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12514	6.7
56.96560	8.5
57.07071	100.0
66.85310	7.4
74.52058	8.6
76.22671	7.5
86.93668	8.1
87.04449	15.8
89.06026	97.8
91.05506	11.9
93.07038	15.8
95.04974	13.7
100.38123	9.8
108.25025	8.7
110.63625	9.7
121.06520	56.6
130.08649	25.7
133.08594	61.5
147.08072	19.3
158.90100	10.0
165.09125	41.0
165.98618	10.8
167.57794	8.5
177.11278	15.6
205.72159	9.4
230.10648	9.5
233.19020	21.0
234.31366	9.8
271.15500	12.3
273.07697	10.4
277.21689	42.9
333.85834	11.2
334.20074	12.3
359.20840	49.3
420.03125	11.4
471.33057	36.9
488.35617	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	488.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65899	8.9
57.07059	27.1
57.38747	9.4
58.06590	73.5
59.07373	23.9
60.08141	15.8
66.56366	9.8
68.76279	9.6
71.08578	10.3
73.63533	10.1
75.04474	11.5
96.14058	11.9
109.98341	10.9
144.10191	14.7
203.31064	11.7
236.14934	100.0
260.93906	15.3
376.17627	20.6
470.38278	25.3
488.39478	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90786	7.0
57.03424	7.0
57.07060	20.9
57.09663	5.3
57.66924	5.2
67.05497	18.9
67.53861	5.6
69.07052	5.3
69.47639	5.6
71.08616	18.8
84.76305	6.9
85.10200	9.0
86.66791	6.0
87.47725	5.5
93.06979	6.8
95.08596	100.0
117.04233	7.2
132.36041	5.7
152.61099	6.4
159.10159	9.0
169.92123	7.1
215.12799	32.7
266.67288	7.4
296.80728	7.8
313.27316	56.0
453.35757	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38990	1.9
53.03933	5.5
55.05494	3.0
69.03423	9.8
70.06586	3.3
71.04958	3.7
73.02895	2.7
78.37140	2.2
81.03412	16.9
82.68868	2.3
83.04965	14.8
84.31237	2.1
85.02901	43.0
90.41430	2.7
91.05496	2.4
93.07053	3.6
95.08607	4.6
97.02882	18.6
99.04449	38.4
103.03934	38.9
103.05453	2.4
105.07024	9.9
109.02879	27.9
110.57188	2.4
110.94496	2.3
115.03896	2.8
119.08556	7.6
121.10136	23.9
123.08066	3.7
127.03920	100.0
137.09682	2.9
145.04947	32.6
163.06012	14.5
165.09114	27.0
183.10176	22.8
186.07738	2.6
237.29924	2.5
253.07111	3.9
271.08163	7.3
289.09076	5.7
289.23938	2.5
308.27167	2.5
357.21078	2.3
410.22614	2.7
453.17438	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	489.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
60.84269	3.1
61.02894	3.4
62.94395	2.7
69.03419	16.2
70.06576	8.8
71.05008	4.2
81.03398	13.6
84.04520	3.6
85.02896	77.2
86.09687	7.9
91.05601	3.4
97.02892	10.8
99.03864	3.7
99.04451	40.9
103.03933	100.0
105.07002	5.8
109.02863	11.3
121.10138	30.4
127.03910	88.4
145.04947	48.4
163.05989	41.0
171.95242	3.0
187.06033	4.6
244.52867	3.8
279.16464	3.9
286.38068	3.7
307.10107	6.6
373.52112	3.5
458.24020	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76307	25.3
57.43985	20.8
59.79863	27.3
67.05484	96.9
69.07053	30.7
79.05486	29.3
79.31141	25.5
81.07026	88.7
81.56855	29.8
91.05496	33.7
93.07054	61.9
95.08602	59.8
105.64870	30.1
119.08576	36.3
121.10135	33.7
133.10162	48.1
142.67165	26.1
145.10069	32.3
171.11508	26.8
174.40553	26.6
185.09990	26.9
225.41737	27.9
325.45343	31.5
489.35776	100.0
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	Cimigenol
Peak:m/z	Relative Intensity
52.65436	4.9
55.05502	14.9
57.03433	7.7
67.05490	50.8
67.46019	6.2
69.07050	16.8
73.54382	6.2
79.05482	30.5
81.07040	57.8
83.08621	12.5
85.13371	4.8
91.05476	46.7
93.07033	40.1
95.08611	42.5
97.10175	12.6
99.54151	5.5
105.07015	45.9
106.20744	6.7
107.08591	24.7
109.10155	16.1
117.07021	14.8
119.08572	40.8
121.10120	13.8
128.16974	6.3
129.06975	8.0
131.08575	24.3
133.10146	27.0
135.11705	17.9
143.08545	8.7
145.10071	32.3
147.11676	23.2
149.13246	9.6
157.10078	12.0
159.11684	28.9
161.13208	7.7
171.11659	17.7
173.13185	9.2
185.13205	7.2
187.19621	6.3
275.57239	6.8
308.17007	7.5
347.45505	7.6
379.30099	12.2
397.30481	12.0
420.49847	7.6
471.34613	22.7
489.35776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05497	24.6
56.90943	7.4
57.03430	10.4
63.25102	7.6
67.05493	55.7
69.07050	27.7
79.05470	25.4
81.07046	66.6
83.08591	14.8
91.05462	40.9
93.07043	45.9
95.08597	49.2
96.25751	7.8
105.07039	51.5
107.08594	38.1
109.10133	25.6
117.07036	20.1
119.02604	7.5
119.08578	42.2
121.10168	16.3
123.11771	14.1
131.08556	30.2
133.10123	24.1
135.11713	20.4
138.27989	7.9
143.08604	12.9
145.10123	31.7
147.11685	28.7
149.13303	12.6
157.10033	8.4
159.11713	21.8
171.11736	16.9
173.13232	19.3
185.13173	9.5
187.14789	10.4
196.04027	7.8
199.14761	11.5
227.17966	9.4
363.67569	10.3
397.30969	16.1
471.34903	19.3
489.35931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12297	5.2
50.58895	4.8
51.71117	4.8
55.05492	20.8
57.03432	6.8
61.57193	5.8
65.03886	5.7
66.62315	7.1
67.05497	44.0
69.07047	24.6
79.05478	31.8
81.07048	67.5
83.04993	6.7
83.08612	16.9
91.05469	30.7
91.16206	7.1
93.07045	48.6
95.08588	46.4
105.07018	33.9
107.08603	35.8
109.10158	20.8
117.07028	17.2
119.08582	39.8
121.10162	19.8
129.07040	14.9
131.08557	28.1
133.10112	25.4
135.11705	18.2
139.70552	6.7
143.08620	14.4
145.10095	23.2
147.11670	25.8
157.10136	14.4
159.11749	17.9
161.13220	16.9
171.11778	10.9
173.13303	17.3
175.14731	8.0
191.59254	7.9
241.95012	7.9
258.47354	7.8
284.82919	8.3
310.92328	8.2
327.01740	8.9
397.30850	14.2
471.34708	15.8
489.35663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70689	7.9
57.02164	9.1
57.02866	8.1
57.97270	13.2
70.06573	13.7
74.00619	10.9
76.02222	45.6
76.03967	15.9
80.38502	11.1
84.04501	98.2
86.09699	18.1
89.87970	12.7
99.05575	44.4
106.98608	63.9
107.04958	16.2
107.99419	66.8
109.06524	37.7
130.04997	81.9
145.06075	39.2
153.06589	15.6
155.08105	20.8
162.02199	15.4
179.04886	44.6
183.08495	11.7
199.07124	29.1
210.01277	36.5
211.02097	41.7
264.02515	15.7
339.05527	100.0
386.03949	14.9
467.37805	14.3
490.16827	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	490.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97073	1.1
56.05031	3.9
65.67181	1.1
71.10552	1.3
71.45110	1.2
84.04493	100.0
85.02887	2.1
102.05531	36.6
130.04991	42.7
148.06039	94.3
158.83649	1.3
287.34955	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23938	7.0
55.15129	7.8
56.56968	6.9
71.07360	14.6
82.62401	9.6
86.09697	55.0
90.14031	8.1
97.21098	9.3
99.74264	9.2
104.10729	100.0
106.01694	8.5
121.06512	15.0
125.00008	17.2
138.12604	9.3
151.11081	9.6
174.93617	9.1
184.07320	62.4
264.43967	10.3
344.31906	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54928	0.6
60.07910	0.8
60.08161	10.5
67.05472	1.6
71.07371	4.4
81.07058	1.5
86.09699	41.3
98.98458	4.3
100.75520	0.8
101.04680	0.7
104.10758	3.8
112.62023	0.8
124.99993	22.9
130.16731	0.8
184.07327	100.0
191.61249	0.8
227.74635	0.9
243.39964	0.8
290.67172	0.9
384.91611	0.9
395.47864	1.0
452.47665	1.1
490.29129	1.3
517.59473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	15.8
58.06597	70.2
59.07382	25.6
59.34012	7.4
60.08166	29.4
61.11325	7.7
69.07079	11.1
74.81841	8.4
75.04503	8.1
108.01778	7.8
113.52026	8.7
140.11676	8.9
144.10245	15.0
144.83334	8.9
184.67183	10.4
187.12881	8.0
199.11977	9.5
236.14937	77.2
472.36340	14.0
490.37491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
57.07054	1.3
59.24495	0.8
59.70381	0.9
66.13968	0.9
69.07048	1.9
71.85098	1.0
75.57627	0.9
76.82345	0.9
78.68083	1.0
79.05470	2.3
80.01373	2.6
81.69047	0.9
91.71741	1.5
106.06558	4.6
108.08073	1.3
116.04965	2.5
124.07613	1.1
125.61003	1.0
134.06010	23.3
136.07573	12.5
136.41887	1.0
137.08372	3.0
148.07523	1.4
150.09146	2.1
152.07085	8.1
160.07645	1.3
162.09143	1.8
166.08708	1.1
176.10706	2.6
177.10201	1.2
178.08606	9.4
179.09415	3.2
180.06580	2.7
180.10168	2.9
202.12302	1.9
204.10184	1.7
206.08133	12.6
207.32858	1.4
224.09218	1.7
235.03780	1.1
258.88403	1.1
264.08597	1.1
286.81387	1.3
296.74255	1.2
313.70001	1.5
400.35626	5.4
410.33945	1.7
428.35477	5.7
446.35980	1.5
490.38864	100.0
491.29657	2.5
491.39212	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	491.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
53.32805	1.2
54.28878	1.3
57.03438	1.6
65.63300	1.3
69.03430	8.7
70.06583	3.1
79.05492	2.7
80.34299	1.6
81.03415	4.4
81.07062	6.1
81.58562	1.8
84.84469	1.9
85.02902	14.2
86.09700	2.2
91.05488	7.3
91.71642	2.0
93.07047	18.9
97.02917	5.4
99.04440	11.9
103.03918	12.3
105.07039	3.3
107.04989	6.5
107.08585	39.4
107.09239	2.5
109.02909	5.8
109.06481	10.6
119.05188	1.6
119.08611	4.6
121.10138	20.0
127.03907	16.6
131.08630	8.1
133.57021	1.7
137.09612	45.7
137.10573	3.3
145.05008	5.6
149.09622	15.6
163.06104	3.0
166.24614	1.8
167.10664	100.0
185.11707	78.2
261.27255	2.1
345.03128	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24610	1.4
53.03945	4.2
55.05516	4.1
57.07101	2.1
59.05006	1.9
61.02925	3.2
65.00346	1.6
67.05518	1.7
69.03419	17.6
70.06598	2.5
71.04989	3.8
73.02921	3.8
76.11926	1.6
78.21664	1.4
79.05524	1.9
81.03410	20.0
81.07056	4.9
83.04968	36.3
84.62682	1.5
85.02899	57.4
91.05473	1.9
91.71602	2.7
93.07060	5.0
95.08620	5.2
97.02883	30.0
97.06560	5.0
97.10211	2.2
98.97614	4.1
99.04444	39.9
99.05019	2.8
103.03938	50.0
105.07067	3.1
107.08587	10.8
109.02876	20.4
109.06603	2.1
111.04408	10.8
121.10149	17.9
121.10880	2.0
123.08083	4.0
125.09606	9.5
127.03909	79.5
127.07576	2.5
128.98607	2.7
137.09668	8.0
139.11240	8.2
140.00249	2.0
145.04956	33.4
149.09610	13.3
151.11255	2.7
152.00360	2.5
163.05968	14.4
167.10663	100.0
169.05052	1.9
185.11703	25.5
185.13136	2.0
187.06102	4.0
208.13446	7.8
237.02914	3.3
239.93263	1.9
245.54601	1.7
255.06238	2.0
260.04355	2.7
271.08255	5.5
283.06155	2.8
400.16754	2.1
431.10361	4.7
491.32022	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67691	2.2
55.75457	2.1
64.70970	2.2
67.51027	2.4
68.17891	2.5
69.03406	8.4
70.06557	11.8
70.62816	2.5
71.04944	2.2
72.08150	4.0
74.84901	2.3
81.03384	5.0
83.04956	5.3
85.02907	24.0
86.09660	8.5
91.05515	3.4
97.02829	7.3
99.04449	13.9
103.03937	30.1
109.02854	7.4
111.04436	3.7
121.10128	2.7
127.03916	27.7
139.11197	3.0
145.04948	15.2
163.05984	11.8
236.30359	2.9
491.30087	100.0
492.31204	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	491.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
54.78413	1.4
55.05486	2.0
56.23824	1.5
56.32608	1.4
57.03430	2.0
61.02917	2.8
65.15205	1.4
67.05484	3.3
69.03431	16.0
69.07059	5.6
70.87069	1.4
71.04989	5.6
72.11492	1.4
73.02903	2.2
81.03421	12.5
81.07041	11.3
83.08625	2.3
85.02898	76.2
91.05453	5.0
91.71622	2.5
93.07032	18.4
93.07583	2.6
95.04971	2.3
95.08605	5.8
97.02888	16.1
97.06521	2.9
99.04446	42.2
103.03938	95.4
105.07028	2.8
106.03563	1.6
107.08595	35.1
109.02870	15.6
109.10152	10.3
121.10151	25.4
123.11697	25.4
127.03915	100.0
145.04961	49.0
149.13252	31.1
152.14003	1.7
163.06006	36.7
167.14307	16.7
168.06602	2.2
185.15364	14.7
186.07628	1.9
187.06036	4.1
193.04195	1.7
205.07140	2.9
256.91589	1.7
271.08047	3.3
289.09308	3.3
299.79047	1.9
307.10147	5.1
420.84619	2.0
455.23566	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	491.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79926	2.2
55.05499	3.2
57.06798	3.3
57.07069	47.8
61.01933	2.0
61.66823	2.1
69.07060	6.6
71.08627	36.3
73.06541	5.7
80.00204	2.1
83.08615	7.1
84.90083	2.0
85.10168	24.6
87.04507	2.5
89.06025	100.0
91.71674	5.8
97.10178	5.3
99.11749	3.9
107.07015	2.3
107.31723	2.1
111.11744	3.3
120.48687	2.0
125.33256	2.2
130.08636	27.8
133.08603	48.5
133.09540	4.6
177.11235	8.6
189.56339	2.4
191.75607	2.4
230.58012	2.4
239.14861	11.7
302.24265	2.3
491.29993	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59799	0.3
51.93974	0.3
53.03927	0.4
61.02915	0.3
65.03937	0.5
67.05503	0.7
69.03416	0.5
70.06583	0.6
73.99664	0.3
76.00563	0.3
77.53733	0.3
81.03397	0.6
81.07055	1.9
81.07469	0.3
84.04507	0.4
84.08125	0.5
84.29624	0.3
85.02412	0.5
85.02896	4.6
86.09690	0.5
87.91982	0.3
95.04960	100.0
96.05287	0.7
97.02891	1.3
99.04443	2.6
103.03929	5.4
109.02865	1.0
113.92528	0.3
120.08131	0.3
121.10142	0.5
123.11708	3.1
127.03901	6.0
145.04950	3.5
150.05515	0.5
151.11163	6.0
162.26291	0.3
163.06004	4.8
168.21962	0.3
205.07076	0.4
205.65065	0.4
271.08136	0.9
289.09085	0.7
307.10190	3.2
325.11435	0.4
339.13361	0.4
465.94272	0.3
519.15106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01855	1.3
61.02905	2.6
67.05485	2.6
69.03147	1.0
69.03426	11.7
70.06586	1.8
71.04971	3.7
71.89138	1.1
73.02916	1.6
81.03409	12.3
81.07052	5.1
81.78218	1.1
84.04466	2.2
85.02895	80.5
86.09679	2.2
88.37734	1.1
90.32008	1.2
91.71619	2.4
97.02883	20.0
99.04441	39.6
103.03934	96.3
109.02878	14.2
112.07546	1.4
120.08128	1.2
123.11691	7.6
127.03909	100.0
145.04947	53.2
145.06096	2.4
151.11176	13.5
163.06003	51.3
168.06575	2.6
169.12241	1.8
180.08699	2.6
186.07579	3.0
187.06042	3.8
205.07101	2.3
271.08197	4.8
289.09164	4.7
307.10187	12.7
309.12170	1.3
472.71396	1.4
491.29395	1.9
492.29953	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36356	0.6
57.37311	0.7
65.08747	0.8
67.05517	1.0
69.03437	0.8
79.46975	0.6
81.07083	2.2
85.02918	3.3
88.81436	0.8
95.04958	100.0
96.82912	0.8
97.02908	2.2
99.04461	1.7
103.03948	4.2
108.64793	0.8
109.02887	1.1
119.72624	0.7
123.11739	2.4
127.03889	5.6
129.17451	0.8
145.04996	3.1
151.11134	4.7
163.06023	4.4
178.26001	0.8
194.92395	0.8
289.09384	1.1
307.10327	2.9
447.35260	0.8
492.30255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
64.91372	5.3
69.03411	15.5
71.05013	6.0
72.59261	5.4
81.03401	18.3
83.98289	5.9
85.02899	89.6
97.02882	36.7
99.04440	56.0
103.03939	93.9
108.99320	5.8
109.02881	23.0
123.11747	7.3
127.03920	100.0
137.21632	6.1
145.04933	59.1
163.05971	54.3
179.15862	6.8
289.09192	8.7
307.10123	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	492.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91382	0.8
57.22287	0.8
65.03913	1.8
74.22787	0.9
81.82368	0.9
84.53014	1.1
91.05470	100.0
105.06995	5.0
106.06553	3.5
106.07810	9.7
128.79388	1.0
133.06503	3.5
134.06227	2.0
134.07263	36.0
135.07996	1.8
151.07570	1.5
162.09137	1.4
181.10149	9.3
194.79945	1.1
196.11327	1.1
198.12744	16.9
200.78789	1.1
231.80414	1.0
238.12172	10.0
254.21106	1.1
330.18481	57.2
331.19141	10.6
453.58218	1.3
492.30261	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	492.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45263	1.3
54.59543	1.2
55.05505	2.8
57.07054	6.9
58.99594	1.8
59.42306	1.6
68.79361	1.4
69.07049	14.6
71.08607	4.8
79.05494	9.6
87.02657	2.7
90.83593	1.6
91.05468	83.7
95.04977	2.7
103.05442	7.6
105.06311	4.0
105.07018	61.8
106.06551	2.1
106.07810	9.5
107.08527	3.1
114.02814	1.5
132.46263	1.6
133.06482	49.2
134.07262	26.3
135.08037	82.2
137.04213	3.9
143.08849	3.0
151.07512	19.5
163.78732	1.5
165.03673	44.7
167.05180	9.8
179.05226	12.2
181.10165	2.6
198.12756	50.5
245.54581	1.8
277.16129	25.7
295.17221	100.0
352.97519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08134	7.2
51.40210	8.7
52.20561	7.2
56.44912	8.2
59.49500	7.7
61.74992	7.2
67.05482	26.3
79.05494	11.1
81.07034	43.9
86.19783	10.5
86.99740	8.1
91.05468	11.2
91.71710	8.7
93.07045	24.1
95.08590	15.1
103.78039	8.7
107.08579	18.0
109.06523	10.7
111.04436	16.9
120.37395	9.2
131.08400	8.4
134.83266	10.3
137.05965	100.0
152.84181	9.0
161.13414	9.4
179.10588	14.6
197.11746	27.1
197.19341	9.4
243.20862	10.7
256.56921	9.9
261.22247	21.8
492.30075	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	21.9
61.61110	21.3
62.51852	18.1
65.38538	20.6
70.06567	19.7
81.27260	19.1
85.02898	51.4
90.43624	27.1
94.19047	24.4
109.02908	23.0
123.04416	29.2
137.80284	25.7
138.42662	29.0
151.03926	27.8
175.03873	65.3
177.05434	49.2
187.03853	36.0
189.05618	24.6
193.04971	36.2
204.15933	27.8
205.04933	51.5
217.05005	37.9
219.06621	28.2
221.04340	24.1
223.06065	57.4
232.64647	23.8
234.08736	24.3
235.06030	29.6
243.06453	42.8
245.00220	26.1
247.05998	89.3
255.06552	31.1
255.40224	25.0
259.06100	100.0
267.06934	26.2
277.07034	35.2
289.06985	65.8
301.07025	33.4
307.08322	27.3
313.07101	73.4
319.08273	42.2
325.09518	39.0
343.07935	57.3
353.53842	31.5
355.07800	35.8
391.10156	34.6
403.10135	31.9
421.11356	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	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.6
57.03440	12.2
57.07071	77.4
58.47505	4.1
58.59848	3.6
67.05487	16.0
69.07053	16.3
71.08617	61.4
75.04473	5.0
81.07025	25.6
83.02645	5.0
83.08593	23.6
83.86460	5.1
85.10173	30.7
93.07040	5.6
93.28489	4.1
95.08605	45.8
97.10181	10.2
109.10158	12.0
123.11742	7.5
195.92293	4.7
239.23686	34.5
311.99823	5.2
313.27292	100.0
439.75571	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	494.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29173	5.9
65.20139	5.8
70.06570	34.9
72.15932	6.5
72.34731	5.9
74.06073	9.8
79.71706	7.0
84.04486	8.0
84.08138	14.3
86.09691	22.4
91.05479	6.4
91.27862	6.8
93.06992	12.9
94.06561	69.0
95.04952	13.7
100.25679	7.5
103.03903	6.9
106.06503	10.7
120.08097	26.8
134.06018	9.9
136.07596	10.9
140.72763	7.7
148.07576	45.2
149.08316	10.2
160.03899	34.1
164.07079	11.0
166.08646	24.4
236.40350	8.2
287.14047	9.5
295.10968	8.2
299.13925	32.3
305.88336	8.8
317.14963	19.6
355.12851	100.0
373.14096	10.8
467.46100	8.7
492.90231	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	494.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42381	1.9
53.03957	3.7
55.01874	2.3
56.05045	2.5
57.03452	6.4
61.02916	10.8
67.49352	1.8
69.03418	44.1
69.03770	2.9
70.06601	5.6
71.05004	3.9
72.08152	3.4
73.02927	5.4
77.50529	2.1
81.03406	14.2
81.07067	6.4
84.04497	2.4
84.08163	1.8
85.02895	59.5
86.00650	3.2
86.09697	3.5
87.04482	7.8
91.03969	3.0
91.05496	2.0
94.06574	4.0
97.02892	27.4
97.03471	2.7
99.04477	4.7
109.02908	6.3
109.06557	4.4
116.04953	2.6
120.08109	2.2
122.06041	4.3
123.04453	6.4
127.03931	12.4
132.01176	5.5
134.06155	2.7
137.05960	21.4
138.05554	2.3
144.04477	3.1
145.04970	4.5
146.06068	4.7
148.79634	1.9
162.05504	4.3
164.07057	10.8
166.08640	2.7
172.03978	11.9
178.08591	4.8
190.05075	7.5
195.08981	6.1
196.09764	8.9
204.06567	19.4
208.09772	6.5
323.10373	9.0
330.13300	4.0
332.14893	100.0
333.15225	2.7
341.11383	4.5
355.12878	3.3
363.09036	2.9
404.27585	2.8
410.65201	2.7
494.20132	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	494.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14773	1.7
57.59375	1.7
64.59283	1.9
67.75501	2.1
70.06570	8.1
79.05480	3.5
81.03421	2.9
91.05477	25.7
95.04967	3.6
96.83234	2.1
103.05490	5.1
105.07040	5.3
107.04963	17.1
109.02876	10.8
115.05473	2.4
117.07028	3.6
119.04942	13.4
120.05717	7.0
121.06484	16.2
122.92556	2.2
129.07025	3.8
131.04922	6.3
137.05830	3.1
143.04913	4.1
143.37419	2.2
144.44971	2.6
153.06996	3.1
157.06422	6.7
165.06909	3.0
176.76486	2.1
178.07817	2.4
196.75810	2.3
199.07588	7.4
202.07909	3.1
208.86116	2.3
209.09714	3.2
213.09113	35.4
223.07518	3.3
225.09029	7.9
227.10660	14.6
233.09569	3.0
237.09189	3.8
239.10693	10.2
241.12354	3.8
244.08856	2.9
249.09067	7.3
250.09856	5.7
251.10762	6.6
259.11188	3.4
263.10657	9.0
265.12137	11.7
273.12949	3.9
277.12265	9.6
291.13782	13.4
301.78452	2.9
477.20493	26.7
494.23242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28147	3.2
55.05497	14.4
58.99572	5.9
61.01134	8.6
67.05486	30.7
69.07057	30.4
70.06582	8.0
71.04996	4.3
74.00661	30.2
76.02216	8.9
76.03899	3.5
76.92844	3.4
79.05478	16.7
81.07048	71.6
83.08611	11.1
88.02197	11.7
88.04011	8.4
89.00609	19.5
91.05482	16.7
91.48344	4.5
93.07030	41.7
95.04954	5.9
95.08595	61.4
96.08183	3.8
97.06509	5.5
97.10181	12.8
99.02667	8.4
101.04250	7.0
105.00081	4.9
105.07008	25.9
107.08579	47.0
109.06502	7.6
109.10140	51.2
111.02664	9.1
111.08071	6.6
116.01665	9.1
119.08578	26.5
120.01151	33.6
121.06494	6.4
121.10107	32.1
122.02710	17.0
123.11715	30.2
125.09602	7.6
131.08562	5.4
132.01118	5.2
133.04922	4.4
133.10135	24.4
135.08025	9.6
135.11671	26.4
139.11221	4.0
141.07310	4.5
145.10115	10.3
147.11691	15.2
149.09586	5.4
149.13246	13.9
151.11211	8.3
154.03185	39.9
157.10161	7.5
158.77374	4.6
159.11652	7.4
161.13298	9.0
163.00620	8.5
175.11215	5.1
175.14806	7.8
177.16435	5.6
180.03316	26.0
185.13188	4.2
200.03827	12.1
200.90848	4.2
205.15764	4.4
223.79958	5.1
226.43593	4.3
243.21173	6.4
250.74335	4.4
273.22241	5.0
301.21640	9.5
319.22745	5.4
376.22839	6.5
394.24075	9.0
404.22467	8.6
412.25336	5.6
414.26633	12.0
422.23611	29.8
440.24640	24.3
458.25674	100.0
476.26886	31.8
494.27734	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	494.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.7
58.99566	11.7
61.48710	10.1
61.73712	9.6
67.05486	27.8
69.07048	34.0
72.78419	10.1
74.00656	28.0
81.07041	66.1
83.08622	17.0
93.07031	40.2
95.08601	59.5
99.02653	14.6
101.04234	16.9
107.08588	51.3
109.10155	34.2
119.08561	17.0
120.01187	25.3
121.10144	25.9
123.11675	33.5
135.11703	14.4
147.11671	15.1
154.03175	18.0
159.54596	11.7
200.04092	13.9
220.73434	11.1
304.28955	13.3
377.19623	16.5
386.78964	13.7
414.26508	23.7
422.23438	19.6
440.24368	19.9
458.25623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75759	1.9
55.05484	3.3
58.06569	2.5
60.08153	18.6
67.05503	3.0
71.07354	6.0
78.46101	2.9
79.05463	3.1
86.09693	53.5
91.71699	2.4
95.08609	2.5
97.02932	2.9
98.98445	2.8
102.59972	2.5
104.10030	4.9
104.10732	100.0
125.00009	19.3
155.81183	2.4
184.07320	74.6
203.54216	2.4
256.18362	2.6
339.84995	2.6
352.46805	2.9
384.78146	2.6
476.31161	4.3
494.32288	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65981	1.0
60.08157	8.5
60.35128	1.1
63.96121	1.0
69.07059	2.1
71.07366	3.2
86.09697	37.2
98.98454	2.1
104.10738	2.7
124.99992	18.9
127.72676	1.3
166.02725	1.6
184.07336	100.0
232.45502	1.4
264.03650	1.3
291.52597	1.4
341.17886	1.3
404.66406	1.7
477.17059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.13040	1.9
60.08159	16.5
69.07040	2.7
71.07357	8.0
81.07052	4.2
86.09698	59.5
98.98463	5.1
104.10736	100.0
121.10252	2.2
124.99995	19.5
129.87242	2.3
142.13126	2.7
152.79359	2.4
157.96820	2.2
184.07327	84.5
287.93307	2.7
316.86307	3.1
476.31363	5.7
494.32397	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05062	1.5
54.26600	1.6
55.05507	2.1
57.07081	1.6
58.06601	1.7
60.08154	17.3
62.17579	1.6
69.07063	4.6
71.07384	5.7
81.07129	1.8
86.09697	53.8
91.71695	1.6
98.98467	2.1
102.70853	1.6
104.10735	100.0
124.99999	26.3
136.06218	5.1
143.17845	1.9
184.07326	74.6
406.31311	1.9
441.76187	2.3
453.29636	4.4
463.17386	2.5
476.31415	3.9
494.32446	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	494.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83104	1.2
55.05490	1.2
56.05019	1.3
57.03430	8.8
58.06591	51.7
59.07375	15.9
60.08152	15.9
67.05495	5.8
73.02898	1.4
75.00984	1.1
75.04466	6.1
76.35556	1.1
79.05480	3.1
81.07032	3.0
85.02897	3.5
87.04452	5.6
91.05489	7.2
93.07035	2.3
95.08611	1.5
105.07030	2.1
131.07086	2.4
132.76566	1.3
144.10194	8.1
159.72624	1.3
162.11267	4.1
184.50970	1.4
235.39737	1.3
236.14902	100.0
263.23367	1.3
348.36154	1.4
476.33780	18.3
476.40079	1.1
494.34732	49.6
495.35336	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.3
57.07055	6.4
58.06592	72.9
59.07371	22.3
60.08160	23.0
61.63136	3.0
63.07816	2.8
67.05489	9.2
67.30125	3.0
69.22318	2.6
70.06567	7.1
70.79913	2.9
71.08626	3.2
71.34573	2.7
79.05469	8.8
81.07050	9.9
85.28748	3.5
86.09679	18.5
87.04463	5.6
88.07615	11.9
89.87168	3.4
91.05482	16.3
93.07031	3.6
95.08589	4.7
102.09177	4.4
104.10757	4.8
105.07033	7.0
125.00022	8.1
144.10211	11.4
149.02380	21.7
163.07356	3.7
184.07330	33.9
193.04951	17.8
236.14920	88.9
237.07581	20.9
237.64609	3.6
248.78967	3.5
280.77310	4.9
284.29474	15.0
339.88483	3.6
426.16245	3.8
476.33484	17.4
494.27847	7.1
494.34735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1263
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.32536	14.3
51.48716	13.6
51.75880	12.7
57.78625	14.6
62.93978	13.6
77.60231	16.8
94.58099	13.9
159.60593	17.1
164.75171	15.8
187.63445	16.1
298.82193	17.2
434.13168	21.3
452.16815	23.6
495.12592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.9
56.25425	0.7
56.96544	3.0
57.84022	0.6
58.06588	1.1
60.07913	0.8
60.08158	9.6
61.08493	0.9
63.18673	0.6
63.89828	0.7
67.05482	1.3
69.07040	1.4
70.87711	0.7
71.07343	2.8
81.07030	1.3
86.09698	39.6
87.10018	4.1
88.59151	0.8
89.28357	0.8
91.05464	0.8
93.07021	1.3
98.98447	2.9
104.10728	3.7
107.08568	1.2
116.34648	0.8
124.99996	24.3
136.93159	0.9
154.94171	1.3
166.02780	1.0
172.95198	4.2
177.95709	1.8
184.07335	100.0
185.07669	11.5
187.44708	0.7
190.96260	1.7
193.47484	0.7
195.96855	4.0
203.43779	0.8
218.98447	2.3
233.98366	2.0
341.17825	4.9
372.18372	0.9
382.20554	2.2
477.17160	11.4
494.31726	0.9
495.18262	1.2
495.33658	0.9
518.19672	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	2.1
56.96561	24.0
59.91824	1.8
66.12983	1.8
68.33419	1.7
70.06565	2.3
78.21098	1.9
78.52410	1.5
82.37040	1.8
84.04529	1.7
91.12299	1.8
97.97958	1.7
97.99188	4.8
100.11250	4.1
122.52032	2.0
124.00754	4.5
140.00208	1.9
142.01768	20.0
158.01297	2.3
160.02835	16.0
165.03348	15.5
172.06538	2.5
183.04411	32.0
198.08038	5.1
206.06099	6.6
216.09047	30.8
216.36659	1.9
223.11194	2.2
234.10170	10.2
239.10645	41.0
239.12965	2.8
241.12158	13.5
257.11703	12.5
262.12338	2.9
264.13895	8.1
267.10043	2.4
280.10431	2.7
280.13153	14.2
282.14810	3.0
285.11188	8.2
303.12277	7.3
308.12817	28.2
326.13812	8.5
349.15399	11.2
396.14359	4.2
437.17044	4.2
450.22934	4.4
477.23889	7.9
495.24899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.4
55.27045	11.0
65.52966	12.8
67.05492	100.0
69.07092	12.9
76.59576	15.2
76.84755	14.0
79.05492	39.9
81.07031	95.5
91.05483	23.8
93.07043	54.4
95.08595	75.0
97.02875	51.7
105.07015	18.6
107.08578	25.6
109.02897	34.7
109.10143	43.1
121.10172	16.7
123.11752	18.8
127.03899	22.0
142.45030	13.9
145.10043	18.1
187.02890	13.4
187.14861	18.5
318.25845	15.5
372.25021	15.7
383.04858	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	495.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29250	11.4
51.65341	9.4
51.69108	12.2
57.38171	11.2
91.70999	13.3
103.38850	10.9
103.66630	13.3
171.93527	13.1
177.83705	14.0
193.67700	12.4
250.47401	14.1
284.21570	15.0
299.56891	16.0
304.86111	14.9
495.31024	100.0
505.67886	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	495.308
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19350	6.9
98.53258	7.6
131.67969	8.4
183.98340	7.7
217.15633	9.7
294.71313	12.8
451.89172	10.7
495.30811	100.0
497.97488	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	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86517	0.5
65.03938	1.0
71.65833	0.5
77.84076	0.4
81.06999	0.6
85.58136	0.5
91.04926	1.0
91.05474	17.3
109.06504	0.9
111.63615	0.5
119.04935	9.3
127.58090	0.5
137.05975	100.0
138.06325	1.7
147.54889	0.5
154.08629	35.0
160.07521	0.9
178.64108	0.5
182.05981	0.7
215.33305	0.6
281.43295	0.6
354.71628	0.6
517.22589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.47298	0.6
54.41832	0.6
56.05011	0.8
56.23396	0.6
57.07067	3.6
58.06593	0.7
60.07857	1.1
60.08156	18.8
67.05489	0.8
68.07988	0.7
69.18707	0.7
71.07364	8.3
71.08627	1.7
71.21159	0.8
81.07043	1.4
85.10172	1.7
86.09696	52.5
95.08598	1.1
97.48746	0.8
98.98473	3.6
100.96566	0.7
104.10735	100.0
104.70100	0.7
105.51238	0.9
124.99309	0.5
124.99993	23.1
184.07329	75.2
185.07545	0.8
247.60571	0.8
313.27417	1.8
478.32791	4.6
496.33905	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50788	0.8
57.07073	0.9
60.07896	1.0
60.08154	10.5
71.07353	3.5
71.08613	1.1
86.09694	42.2
86.49844	0.7
98.98483	3.0
104.10722	3.9
124.99992	20.8
128.38132	0.8
157.49306	0.9
166.02660	1.5
184.07324	100.0
237.94643	0.9
496.33887	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	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.3
57.03420	16.0
57.07059	9.7
63.67618	4.6
67.05498	100.0
67.40716	4.4
69.07037	5.4
79.05475	14.2
81.07044	39.0
83.08614	11.3
89.06027	9.8
91.05462	12.8
93.07024	29.2
95.08598	18.8
98.07701	6.9
105.07017	8.1
107.08599	10.5
109.10152	62.2
119.08572	8.7
121.10135	11.1
124.20588	5.8
128.80501	5.8
135.11734	9.6
144.75040	5.8
145.10074	6.7
146.16454	7.0
173.11778	11.3
181.02519	5.7
215.17940	9.1
229.14351	44.0
233.19066	7.9
233.50334	5.8
283.17667	6.0
307.22586	51.7
348.43643	6.4
461.32379	18.0
471.13693	5.6
476.87271	7.1
492.58127	5.6
515.33582	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	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.9
57.03422	11.3
57.07053	9.2
59.36611	5.7
65.03876	7.0
67.05173	9.5
67.05495	100.0
69.07037	14.0
71.04974	9.5
79.05469	29.4
81.06636	6.4
81.07051	37.7
83.08626	17.1
85.57497	5.8
86.50977	6.4
89.06023	15.0
91.05473	20.0
93.07039	31.6
95.08578	19.3
105.07009	8.2
107.08556	13.1
109.10145	73.8
109.63857	7.2
112.42358	7.1
113.75620	6.7
119.08550	9.7
121.10180	13.2
133.10133	9.6
147.04367	15.7
187.99841	7.2
207.67194	7.4
215.17944	8.4
229.14326	67.3
278.87579	7.9
290.63293	9.0
307.22595	61.7
461.32428	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	496.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72545	0.8
55.05503	1.3
56.05015	1.7
56.65922	0.7
57.03192	0.9
57.03422	9.7
57.24489	0.8
58.06589	46.5
59.07372	14.4
60.08153	14.7
62.75034	0.8
64.08527	0.7
64.09396	0.8
67.05492	7.5
69.07057	1.8
73.02897	1.4
75.04467	6.2
79.05471	3.8
81.07054	6.0
82.70628	1.0
85.02888	2.6
87.04468	5.3
91.05447	3.0
93.07016	4.9
95.08598	5.4
100.11241	1.1
103.03907	0.9
105.06992	1.1
107.08566	2.3
111.94920	0.9
112.83806	1.0
119.08537	1.0
121.10153	1.3
128.61784	1.0
130.54726	0.9
131.07077	2.0
132.40199	1.0
142.63957	1.0
144.10191	10.1
162.11188	5.1
181.28659	1.0
222.11911	1.0
229.70383	1.2
236.14896	100.0
295.08502	0.9
315.57669	0.9
333.48587	1.0
478.35181	12.4
496.36258	50.8
497.36697	2.1
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
58.06587	82.6
59.07391	24.3
60.08186	15.4
67.05512	22.7
68.69476	7.6
79.05517	9.2
81.87138	7.8
83.74387	8.2
93.07108	9.6
101.69355	7.6
104.76600	8.2
111.98270	7.3
115.02434	7.6
117.84856	7.2
118.23071	8.1
122.04762	9.7
144.10294	13.2
233.82480	9.9
236.14897	99.9
255.69720	8.3
421.33246	9.5
478.34970	18.2
496.36246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14023	3.1
57.06837	4.5
57.07069	50.5
62.54230	3.0
69.07068	5.8
71.08617	37.6
73.06538	6.1
80.71592	3.3
83.08598	5.1
85.10184	26.3
89.06022	100.0
97.10178	5.9
107.07112	4.1
111.11677	3.7
117.09107	4.7
130.08626	17.5
133.08606	49.5
134.08086	3.8
137.50198	4.4
177.11282	11.6
197.01317	4.0
210.63898	4.1
256.84143	3.9
262.28473	3.9
283.17508	21.5
285.27698	7.2
364.88708	4.8
479.39154	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	497.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03724	1.5
64.70267	1.6
76.14017	1.7
80.91172	1.6
81.15620	1.9
91.05478	17.9
91.43371	2.0
92.05795	4.1
97.71114	2.2
119.01925	3.0
119.04924	10.3
120.05289	4.6
129.05109	5.6
137.05966	100.0
138.06313	37.3
141.05064	2.4
143.01900	3.5
152.06677	5.3
154.03482	2.3
154.08624	30.3
155.09009	12.9
159.06201	2.9
170.07777	2.9
172.04584	3.2
173.04092	5.3
184.04597	5.3
185.02937	5.2
191.05109	4.7
195.06075	5.5
196.05875	11.2
197.04158	2.7
198.02405	2.5
208.04500	4.1
214.06746	3.8
215.05103	65.4
227.05136	12.7
237.08179	2.4
239.05116	6.0
245.05159	12.9
251.26685	2.1
256.07761	5.6
275.07184	8.0
288.81076	2.0
317.08170	12.3
335.09293	10.3
497.13864	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89146	13.6
59.48782	16.2
79.62395	13.8
89.50024	15.4
91.05484	30.3
91.71018	16.1
119.04929	100.0
147.04411	56.6
161.91870	15.0
280.59991	20.6
343.09589	66.9
362.51746	21.4
461.13821	79.9
476.50864	19.4
479.14975	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	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20768	2.0
59.91657	2.6
63.83790	2.3
66.74867	2.0
70.06600	4.6
70.30662	2.0
75.14664	1.9
79.37775	2.0
88.17852	2.4
95.04977	9.3
100.11245	2.9
109.77240	2.3
134.49445	2.4
194.39264	2.8
196.19908	2.5
285.09390	3.9
287.07385	6.3
347.09512	21.5
433.47263	2.8
437.47400	2.8
497.12573	5.2
497.19922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1997
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
53.14015	2.5
70.06591	4.5
71.70741	2.8
75.86149	3.3
84.08141	4.2
84.13808	2.7
85.02893	3.9
102.07043	3.4
186.37654	3.2
196.59082	3.1
245.29012	3.3
253.58400	3.5
353.15598	4.6
435.19846	10.6
497.19876	100.0
498.19925	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	497.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	12.6
193.85370	12.8
240.93172	13.8
248.36726	14.3
266.91364	13.8
431.00589	18.1
435.19937	16.1
497.20053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25229	4.3
54.03572	3.1
56.28568	3.8
57.41412	4.4
61.80799	3.8
70.06581	12.8
70.63329	4.5
72.08153	6.0
73.02860	4.3
82.38641	4.7
82.95747	4.4
84.04504	5.0
85.03807	4.2
86.09694	35.1
120.08098	6.6
127.03970	6.0
130.06537	14.0
157.07652	13.0
157.80653	4.4
159.58438	5.1
185.07089	7.5
288.08478	5.5
305.56818	4.8
314.05487	5.2
366.14700	6.3
388.03329	5.8
444.25995	5.3
497.19849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03223	5.1
55.05520	16.8
57.03434	35.3
58.06387	5.5
58.06594	55.9
59.07368	19.3
60.08152	23.8
61.02909	41.6
67.05498	89.0
69.03419	29.7
69.07061	21.0
71.01337	8.2
73.02916	21.7
79.05485	38.2
81.03403	22.9
81.07045	70.3
83.04996	7.9
85.02895	58.3
87.04453	8.6
91.03953	26.8
91.05473	25.8
93.07036	61.8
95.04976	11.7
95.08595	55.7
96.37765	6.5
97.02876	41.2
99.04434	11.5
101.02386	13.8
103.03955	8.2
105.07021	17.4
107.08596	20.9
109.02899	11.6
109.10166	19.0
117.07023	11.4
119.08592	21.1
121.10178	19.5
121.42497	6.7
127.03925	14.5
131.08578	17.1
133.10107	15.8
135.11697	9.0
144.10158	10.3
144.60626	7.0
147.11674	8.9
188.13617	7.3
236.14915	100.0
237.15279	31.3
261.22122	9.7
277.41205	7.3
335.25848	31.7
478.35724	8.0
479.35526	15.2
496.36157	23.8
497.36728	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	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07585	8.4
54.17288	9.7
55.01873	10.7
55.05514	15.8
57.03431	26.0
58.63966	8.8
61.02916	30.6
67.05497	100.0
67.05768	9.9
69.03442	38.6
69.07079	18.0
73.02913	21.0
79.05495	45.2
81.03429	22.1
81.07043	90.3
83.04948	16.0
85.02921	48.3
91.03960	28.8
91.05498	22.4
93.07071	56.4
95.08621	64.6
97.02909	52.6
105.07054	27.7
107.08587	28.0
108.21028	13.0
109.10184	36.0
117.07060	15.7
119.08582	25.0
121.10178	31.6
131.08578	18.8
135.11700	18.7
152.27708	11.0
177.58360	11.2
179.88673	12.4
192.75804	13.4
261.22198	15.1
269.21564	12.8
310.77393	14.1
335.25958	48.7
361.00543	13.6
455.98245	13.9
497.31595	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
89.06026	76.8
91.74831	19.6
97.26823	17.6
105.03418	17.9
133.08635	37.0
145.89865	17.0
156.15013	19.8
174.22644	19.5
186.66229	22.5
217.07455	19.3
217.85649	20.3
243.87622	20.1
283.17609	32.8
497.32446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28452	2.9
91.05489	15.9
91.39266	3.7
107.04955	23.8
121.06525	11.2
128.69266	3.3
148.04079	4.3
153.06955	5.6
153.42648	3.8
154.07753	3.6
167.08528	4.5
169.06500	4.6
199.07542	10.1
211.07472	12.8
212.08440	5.5
213.09061	18.6
213.25499	4.0
238.08728	5.9
241.07407	5.2
319.13287	18.4
470.19803	8.0
480.18011	8.5
498.19061	100.0
499.19284	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	498.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44833	27.2
55.72061	27.1
62.06063	100.0
67.05486	33.0
68.84026	31.5
74.54429	28.8
79.05437	34.1
81.07026	59.9
91.05470	67.0
92.01075	31.4
93.07047	58.0
95.08650	35.3
107.61532	30.2
113.56597	34.2
131.08533	42.1
141.16389	36.3
166.25000	35.9
199.62276	38.2
216.03004	35.0
218.66386	35.5
357.24030	41.7
404.49249	39.2
421.02734	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	498.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53385	42.8
61.22134	30.4
62.06064	68.8
62.74308	36.8
64.50433	33.0
67.05519	59.1
76.48309	34.9
81.07072	45.9
91.05477	100.0
95.08580	57.0
105.07092	57.7
131.08553	50.9
131.12512	40.0
160.05249	41.2
215.27525	41.7
217.58606	42.9
240.73019	50.3
278.00510	39.8
304.61041	52.1
458.52570	48.9
470.05060	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	498.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
56.05022	1.0
56.22480	0.8
57.03426	10.0
58.06591	43.5
59.07375	14.3
60.08154	14.2
67.05489	8.3
69.07059	2.4
75.04465	6.9
79.05497	1.3
79.52901	1.0
81.07033	6.0
84.08170	1.1
85.02905	2.0
87.04483	3.7
91.05460	1.5
91.71766	1.0
93.07071	1.4
95.08607	3.9
98.06042	1.2
105.05472	1.1
109.10099	1.0
116.16396	0.9
120.69994	0.9
128.07025	0.9
131.07011	2.8
132.62997	1.2
144.10187	10.3
162.11259	4.5
218.13731	1.2
231.31146	1.1
236.14896	100.0
271.60757	1.0
299.03735	1.0
339.36688	1.1
344.31415	1.0
367.16864	1.2
437.20242	1.7
480.36795	17.0
498.37827	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	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79126	3.5
52.11627	3.8
55.05487	4.3
57.03428	10.1
57.19312	4.1
58.06593	80.5
59.07378	23.5
60.08163	23.1
67.05490	16.4
69.07056	7.0
71.58009	4.0
79.97000	3.9
81.07023	21.9
81.55891	4.0
85.02869	5.3
87.04469	5.9
95.08569	10.4
121.54901	4.6
144.10207	15.8
236.14909	100.0
404.63315	5.9
480.36783	26.6
498.37830	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62329	4.5
57.07059	43.6
57.88222	5.1
64.81705	4.4
67.17731	4.5
71.08620	35.7
73.06548	5.9
81.51223	6.1
85.10167	26.5
89.05518	10.8
89.06022	100.0
115.08654	5.9
117.09130	6.8
130.08627	27.1
133.08574	51.0
136.91010	5.5
172.57225	6.5
177.11316	14.2
190.69438	5.8
243.23203	8.7
279.58539	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2147
Annotation	Conivaptan
Peak:m/z	Relative Intensity
54.09308	1.8
54.98243	1.7
70.06573	3.0
72.02390	2.1
74.78102	2.0
74.78546	1.9
81.07053	2.7
84.04519	2.6
93.26424	1.8
112.22035	2.1
113.24661	1.9
115.74480	2.2
130.94884	2.1
137.79752	2.2
141.90506	2.3
142.17859	2.2
183.45140	2.4
314.23618	2.5
419.20428	8.6
437.21451	2.8
481.20444	37.9
499.21555	100.0
520.14893	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	499.215
Annotation	Brianodin D
Peak:m/z	Relative Intensity
50.58467	4.3
51.60558	4.1
59.04861	4.1
68.09659	4.8
70.06587	10.9
72.08138	4.6
86.30657	5.4
109.10897	5.2
143.46509	6.8
147.19118	6.6
219.10263	6.6
267.39395	6.4
298.20438	6.8
365.33386	7.3
448.50995	6.0
481.20410	83.8
499.21451	100.0
521.16779	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	499.2153
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
57.22157	3.4
59.92330	3.3
70.06594	6.2
92.14433	3.3
99.71911	3.7
132.52364	3.6
133.21628	4.5
140.44800	3.6
157.31078	4.3
158.26620	3.6
160.33127	4.1
185.04315	4.3
271.78625	3.8
360.25214	4.2
419.20212	5.9
481.20419	37.4
499.21396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65408	8.4
56.72580	9.5
61.02290	9.0
65.06799	10.9
70.06576	9.7
102.52159	9.8
121.25387	10.0
128.72940	11.7
133.39571	10.6
146.96915	11.4
500.11646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	23.3
64.56968	3.8
67.04241	23.6
68.05024	6.8
70.06581	13.2
71.15569	4.1
72.08128	6.6
77.01939	4.3
86.09705	7.3
95.06091	30.9
109.85611	5.0
118.62358	5.4
120.08102	6.2
123.09496	4.3
125.01713	13.1
126.02505	6.8
127.03260	55.2
136.50021	5.0
168.60175	4.7
183.00200	4.7
218.02678	6.8
225.05336	6.4
238.14502	5.0
245.03809	44.8
246.04614	10.8
254.05740	21.2
255.06422	7.6
262.43500	5.8
285.02234	5.9
334.82559	5.0
345.08762	6.7
346.09247	8.2
361.06476	5.4
379.07489	31.8
397.08572	27.1
456.15732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26212	3.3
53.00298	2.5
53.03928	3.7
54.40038	2.5
54.87470	3.0
55.01861	8.4
55.05499	10.8
57.03423	8.7
62.06078	100.0
65.03926	6.9
67.05492	76.6
67.86845	3.0
69.07045	11.5
79.05485	45.3
81.07040	35.9
91.05470	70.9
93.07037	48.9
95.04945	12.8
95.08592	35.9
97.06523	6.3
98.98451	22.6
100.30129	2.9
105.07014	35.4
107.08577	17.7
109.10155	12.4
114.79308	3.0
115.05461	3.5
117.07004	29.4
119.08563	29.4
121.10141	12.1
129.05463	11.9
129.06999	12.1
131.08569	26.2
133.10126	12.4
135.11734	4.1
142.02623	6.5
143.08554	8.7
145.10133	19.3
147.11644	6.5
155.01003	6.1
155.97935	3.1
157.10181	9.5
159.11713	10.4
161.13245	4.0
170.10812	3.6
171.11780	4.6
173.02116	4.9
173.13303	4.6
175.14912	3.8
185.13232	5.4
187.14832	8.1
198.05261	5.1
201.16467	9.9
216.06349	7.5
249.64862	3.9
267.21024	5.2
285.22009	4.5
288.45456	3.9
317.31201	3.9
328.26315	13.2
359.25800	90.0
417.33258	3.9
482.26266	3.8
500.28445	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.2
53.03934	2.4
55.01862	6.3
55.05502	11.5
55.44161	1.6
56.69572	1.6
56.85096	1.3
57.03209	1.5
57.03432	18.7
65.03943	3.4
67.05494	62.9
69.07063	10.1
71.04961	2.3
73.02921	3.1
79.05486	46.8
79.53554	1.6
81.07047	45.2
83.04976	2.8
83.08600	2.9
83.67573	1.9
85.06530	2.2
91.05471	63.0
91.71648	3.3
93.07034	50.7
95.04936	13.1
95.08598	29.6
97.06532	6.2
98.06047	2.6
98.98473	2.5
103.99934	1.7
104.83630	2.0
105.04533	1.8
105.07027	31.5
107.08583	19.2
107.34584	2.1
109.10168	6.6
111.08102	1.8
117.07015	24.3
119.08576	24.6
121.10154	9.9
123.08089	2.3
124.01625	2.5
129.05469	11.5
129.07014	8.5
130.07738	1.9
131.08562	23.9
133.10155	10.7
135.11710	5.2
141.07001	4.1
143.08557	7.1
145.10095	13.5
147.11691	7.2
149.13364	2.2
155.08543	2.4
157.10162	5.6
159.11673	8.9
161.13297	2.8
163.28500	1.9
169.10219	3.5
171.11659	4.1
173.13284	4.7
185.13248	3.3
199.14813	2.2
201.16411	6.6
238.92195	2.3
267.21243	2.6
328.26315	2.9
359.25775	100.0
360.26105	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	500.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66866	6.9
55.05502	14.9
57.03416	12.9
58.41221	6.8
67.05496	100.0
69.07059	17.5
79.05481	29.6
81.07050	93.4
83.08614	8.8
89.06019	73.5
91.05468	23.9
93.07037	56.5
95.08597	83.5
101.85822	7.6
105.07018	17.9
107.08583	29.3
109.06492	8.5
109.10134	39.8
118.24997	7.8
119.08579	17.4
121.10169	14.5
123.11747	17.7
130.08614	10.6
131.08507	15.3
133.08617	63.3
133.10173	16.3
135.11649	20.5
149.13295	15.4
151.09608	82.9
155.07042	10.0
173.13292	8.7
173.72557	9.2
188.46875	8.6
190.27487	10.5
315.23254	21.2
333.24261	28.6
478.76645	10.0
500.30710	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	500.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09443	5.2
55.01874	29.1
67.05504	12.0
69.07071	11.5
69.59240	5.6
70.06599	14.5
70.17039	5.8
71.04992	27.6
79.05508	7.5
81.07047	7.8
97.06590	20.0
98.09708	16.3
102.86331	6.6
122.06070	18.0
124.07562	34.8
135.08125	7.2
136.07567	82.9
140.07117	29.4
204.13910	13.6
222.14896	100.0
240.15840	9.9
325.90402	8.9
443.43542	10.1
453.88516	8.4
457.35251	8.9
482.36234	50.5
500.47186	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	500.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61223	4.1
55.05471	4.6
57.03430	11.7
58.06593	49.8
59.07377	14.5
60.08148	16.6
68.15845	5.1
69.07041	8.6
70.50110	5.1
73.06673	5.0
75.04459	9.3
81.07021	6.1
84.66383	4.5
85.02905	5.8
87.04457	7.7
91.71637	12.1
144.10239	11.4
162.11217	5.9
191.26874	5.5
236.14897	100.0
239.27869	6.5
482.37903	9.4
490.16202	6.5
500.39270	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.2
57.03428	7.9
57.07067	1.9
57.51381	1.2
58.06590	68.0
58.06879	3.5
59.04993	1.3
59.07374	17.6
60.08157	17.9
60.58789	1.1
67.05492	7.7
69.07060	13.0
71.08620	1.8
75.04474	5.0
79.05469	1.3
81.07050	5.4
83.08617	6.1
85.02902	3.2
87.04448	4.1
93.07038	2.1
95.08598	7.3
97.10164	2.4
109.10154	1.8
113.06018	2.0
117.79019	1.6
131.07043	3.3
137.60089	1.5
144.10175	12.7
218.13980	2.0
236.14896	100.0
238.32588	1.5
239.60960	1.8
259.60681	1.8
482.38385	20.8
500.39383	82.7
501.39893	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	501.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06363	4.2
67.05489	9.9
95.08612	9.2
120.36454	6.1
121.93558	6.2
169.13467	5.3
195.09958	15.9
224.83148	6.6
267.38553	5.5
501.31769	100.0
501.38400	7.5
524.53711	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	501.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17311	17.8
55.05516	32.1
58.07845	18.8
67.05515	100.0
69.07095	29.8
75.43875	19.1
79.05492	41.3
81.07080	92.7
83.08642	24.0
91.05509	27.9
93.07057	91.2
94.07396	21.8
95.08592	44.6
121.10156	50.5
130.31854	20.1
131.08630	26.0
144.77718	22.5
145.10115	24.4
152.03120	19.7
219.67459	26.6
219.85289	23.8
235.48827	30.5
293.24603	23.3
366.60852	25.8
432.87607	23.1
454.81198	23.4
496.36331	28.6
501.36304	99.4
508.37610	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	501.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17311	17.8
55.05516	32.1
58.07845	18.8
67.05515	100.0
69.07095	29.8
75.43875	19.1
79.05492	41.3
81.07080	92.7
83.08642	24.0
91.05509	27.9
93.07057	91.2
94.07396	21.8
95.08592	44.6
121.10156	50.5
130.31854	20.1
131.08630	26.0
144.77718	22.5
145.10115	24.4
152.03120	19.7
219.67459	26.6
219.85289	23.8
235.48827	30.5
293.24603	23.3
366.60852	25.8
432.87607	23.1
454.81198	23.4
496.36331	28.6
501.36304	99.4
508.37610	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	501.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66338	1.1
55.57568	1.0
66.14491	1.0
76.88025	1.3
81.45349	1.3
82.95783	1.3
110.71900	1.7
138.46091	1.4
143.63203	1.2
161.33374	1.1
164.66809	1.4
168.54919	1.2
175.00690	1.6
293.81436	1.4
310.68750	1.5
501.37607	100.0
502.37823	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	1.5
54.45043	1.6
55.01872	2.0
58.06588	6.0
60.08152	34.2
61.34903	1.7
66.85751	1.7
67.04237	36.4
68.05016	6.6
69.05798	4.8
69.19048	1.5
70.06569	6.6
72.08157	2.1
82.34444	1.6
84.04497	2.3
86.09687	7.5
91.71685	2.1
95.06099	10.1
98.00645	6.4
99.01393	5.1
100.02194	2.6
110.03658	10.4
113.01698	3.2
119.04908	13.4
123.04402	12.0
125.01697	30.2
126.02475	44.0
127.03250	79.4
139.05078	3.0
145.07468	1.8
147.04399	25.7
147.97295	2.5
153.06982	1.8
157.06560	3.7
166.00908	2.0
169.94684	1.9
170.07532	2.4
181.06474	7.8
182.07294	2.2
182.50360	1.9
184.09096	2.4
184.13481	1.7
185.09802	89.5
186.10637	6.6
199.07524	4.3
209.05952	3.3
210.06750	4.4
213.06670	2.5
227.02611	2.5
227.07120	4.4
239.07027	2.6
241.03197	3.7
245.03790	5.2
246.04549	14.1
247.05484	9.7
255.06526	9.0
256.07233	6.7
257.08041	38.3
269.02570	17.2
302.10339	2.1
306.36600	2.0
316.92291	2.2
327.86124	2.1
330.09998	3.7
363.08005	7.8
381.08997	25.8
399.09915	12.1
414.18408	3.5
440.16339	69.7
458.17416	100.0
502.16345	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	502.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	40.6
64.42528	26.4
65.63995	24.5
67.05492	36.7
69.07059	100.0
70.06577	35.5
74.56631	25.0
76.02210	36.0
81.07021	35.6
93.07008	37.1
97.06573	28.3
102.29632	28.5
105.07068	38.2
112.08305	28.0
119.08537	58.1
119.19638	28.0
125.90373	32.7
126.95316	29.3
131.08571	39.5
149.74574	29.8
158.60690	29.1
180.66020	31.2
345.53595	38.0
363.21634	54.3
373.89871	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	502.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
55.01860	6.3
55.05496	15.2
57.03435	15.4
57.07048	4.7
62.06070	5.4
67.05172	5.4
67.05497	61.4
69.07062	20.8
73.02917	2.9
79.05485	40.7
81.07047	44.3
83.08588	5.5
85.46923	3.0
91.05466	60.1
93.07043	35.4
95.04977	8.9
95.08598	40.1
97.06508	10.9
105.07036	33.1
107.08591	15.6
109.06525	4.3
109.10126	9.8
115.05461	2.8
117.07057	15.8
119.08582	30.3
121.10130	15.3
123.08028	18.3
129.05476	11.2
129.06961	5.8
131.08560	13.4
133.10146	11.6
135.08040	3.7
135.11702	5.4
145.22856	3.0
157.10121	4.8
161.13255	4.9
171.11719	4.6
179.14267	32.4
203.17958	11.6
215.88147	4.0
269.22525	5.8
283.28510	3.6
293.20984	7.5
330.27963	6.7
343.46683	3.5
349.27356	26.5
350.28183	8.3
361.27344	100.0
373.22559	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	502.2927
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
55.01875	6.8
55.05510	13.0
57.03432	12.6
57.07071	5.2
62.06079	100.0
65.44955	5.5
67.05487	58.5
68.58093	5.1
69.07072	18.0
71.41319	5.1
72.11665	5.2
79.05487	41.3
81.07049	52.7
83.08673	8.4
85.06556	7.1
86.29900	6.0
91.05464	70.6
91.05955	6.3
91.71713	7.1
93.07042	38.6
95.08613	45.4
97.06506	7.2
98.98508	27.0
100.48055	5.8
105.07014	30.4
107.08611	13.7
109.06499	6.7
109.10168	9.6
117.07038	21.9
119.08582	30.3
121.10162	14.5
123.08095	13.3
129.05464	8.1
131.08592	15.0
133.10158	13.4
134.12990	6.1
135.11746	6.4
145.10161	10.2
147.11719	10.3
149.09814	6.2
157.10260	8.9
179.14368	26.6
185.43886	8.0
189.12894	6.7
189.16808	8.0
191.17836	6.1
198.33038	6.1
203.17886	11.0
216.15985	6.7
264.68597	8.1
269.22498	12.5
269.99927	6.8
273.57339	9.0
287.23788	13.9
330.27884	9.9
349.27200	29.7
356.80597	9.4
361.27359	90.2
484.27921	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	502.2927
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
55.04361	5.0
55.05497	7.8
55.59589	5.7
57.03415	9.2
67.05502	48.5
69.07053	9.0
70.18571	6.4
79.05498	15.9
81.07037	35.4
91.05453	20.9
93.07039	18.6
95.08608	30.8
105.07049	17.1
107.08630	7.3
109.10149	7.5
157.49336	6.4
186.27687	6.9
280.36063	8.3
361.27325	100.0
365.07388	8.0
504.10284	7.4
529.42499	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	502.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	2.7
70.06580	100.0
71.04973	6.2
72.08145	4.8
74.06071	4.7
84.08123	4.9
85.02912	3.8
86.06062	28.3
86.09698	48.8
90.57437	3.0
95.06071	4.0
104.31022	2.9
112.08733	36.0
114.05521	41.7
115.08680	22.3
120.06602	2.8
127.81895	2.6
132.27191	2.5
140.08183	7.4
154.17024	3.0
158.09319	3.6
164.07144	3.9
225.17160	5.9
242.16196	6.2
253.13029	4.6
270.15622	14.3
271.17688	3.5
288.16620	4.1
295.04297	4.0
296.13461	3.2
311.13544	3.0
355.24460	3.8
357.89597	3.3
395.81848	3.5
440.29953	5.0
502.29727	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90925	2.3
54.25518	2.8
56.05022	2.7
59.43870	3.0
69.18233	2.8
70.06573	18.8
73.77679	3.1
84.08133	100.0
86.09702	40.7
94.36778	3.3
127.03889	3.4
129.10233	42.8
129.11064	5.2
139.91527	3.3
142.47275	3.5
148.05991	6.1
188.46933	3.5
192.10616	3.5
197.16461	6.0
242.18669	5.5
261.14536	6.4
375.11584	3.3
472.37949	3.9
502.15097	16.9
502.32327	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	502.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06208	3.7
57.03406	5.9
57.07072	4.7
57.54853	3.8
58.06596	36.3
59.06911	5.1
59.07382	9.4
60.08141	12.2
69.07056	17.9
84.53596	4.2
89.06023	6.7
91.05463	6.9
91.71021	9.6
105.07021	43.4
108.91526	5.1
121.06497	6.5
128.30086	5.0
133.06506	32.0
134.07265	24.7
135.08037	79.3
139.64108	4.6
151.07504	15.9
165.03699	26.8
179.05269	11.2
189.31308	5.5
236.14877	35.7
237.15268	18.7
238.15460	9.1
277.16284	18.2
295.17239	100.0
484.38757	8.7
501.39798	21.3
502.40436	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	502.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24212	11.5
55.07858	12.1
55.95769	11.2
57.07071	35.4
65.30165	14.2
69.42630	11.3
71.08609	63.7
75.99245	14.7
78.53135	11.0
85.10171	23.2
89.06020	100.0
91.05475	28.2
91.71684	17.1
92.69286	13.3
93.07056	28.0
96.47559	15.0
112.85533	14.9
117.06982	19.0
121.06496	69.1
130.08629	38.3
133.08617	56.5
140.14789	14.4
142.53419	12.4
149.09479	15.9
165.09129	35.3
177.11261	26.3
242.80989	16.9
291.23096	35.7
298.86514	17.7
299.72681	22.4
353.26590	18.5
359.20480	67.8
485.34692	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18602	2.5
53.00314	3.4
55.05508	10.3
57.03428	17.8
57.07068	33.3
59.05002	3.4
67.05496	100.0
67.87157	3.2
69.07056	5.2
71.05011	3.5
71.08641	17.8
81.07044	20.3
82.40675	2.6
83.08641	13.6
85.10200	10.7
91.77671	3.0
95.08607	16.1
97.10154	3.6
106.34092	3.3
109.10146	87.9
109.10854	5.3
111.08029	3.2
119.08599	4.9
140.59766	3.6
173.11717	16.5
180.00453	3.6
229.14334	63.9
252.34091	3.5
313.27356	73.1
407.26746	4.3
417.87482	3.9
467.37253	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	502.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34908	1.2
55.05495	1.8
56.05013	1.6
57.03426	6.4
57.07065	11.0
58.06594	58.6
59.07379	19.1
60.08154	19.0
62.37994	1.2
63.53806	1.7
66.21223	1.3
67.05486	5.5
68.08161	1.4
69.07046	3.2
71.08607	7.3
75.04460	4.6
76.23413	1.4
76.70502	1.6
81.07055	5.2
83.11593	2.5
85.02881	2.0
85.10174	3.1
87.04458	4.3
95.08609	4.7
103.03942	1.6
107.08686	1.6
113.03548	1.5
133.10190	3.4
144.10204	10.5
148.23682	1.5
162.11354	2.3
218.14067	1.6
219.81595	1.6
228.48280	2.0
236.14908	100.0
341.30328	2.1
400.23328	2.3
484.40195	18.1
502.41028	80.3
503.33868	2.2
503.41299	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	503.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90370	2.2
59.58739	2.0
76.09175	2.1
86.09676	2.2
91.71132	2.4
95.70876	2.2
107.04956	12.6
115.05476	4.2
120.44160	2.5
121.06470	5.5
129.07071	2.7
139.18683	2.2
141.07016	2.8
143.04880	6.2
165.06973	3.1
169.06506	3.7
171.04424	6.4
173.80402	2.5
181.06471	3.5
183.08061	4.9
195.08044	3.6
195.56285	2.6
197.05972	5.1
198.06783	6.1
199.03917	5.6
211.03995	3.7
211.07535	8.7
212.08321	3.1
213.05537	4.3
213.09120	3.1
225.05536	2.9
227.03346	5.1
239.06866	13.5
241.04848	6.1
253.05151	4.3
346.08737	2.9
411.11581	2.9
467.11230	100.0
485.12988	3.0
503.13303	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	503.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24970	1.1
61.43542	1.3
63.39565	1.1
74.70495	1.2
93.82205	1.6
95.04977	2.4
96.45085	1.4
107.04966	1.5
121.02853	5.3
128.06212	1.8
141.07002	5.8
143.08466	1.4
152.06279	2.2
169.06505	5.7
181.06526	7.3
197.05965	28.5
198.06723	30.4
199.07486	8.6
212.04715	1.9
213.05481	4.6
225.05434	16.4
226.06267	3.4
227.06941	2.1
230.05724	36.1
241.04979	4.3
242.05743	5.0
243.06551	6.4
255.06497	24.1
271.07626	1.9
296.51837	1.8
303.68390	1.6
345.07431	2.3
411.80832	1.9
423.12830	2.1
467.11261	100.0
485.12173	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47729	0.5
53.03937	3.6
53.31026	0.5
55.05499	1.6
57.03418	1.0
59.04982	1.4
61.02910	1.7
66.58630	0.6
67.05466	0.6
69.03423	7.3
70.06573	1.0
71.04961	2.8
73.02914	1.2
79.05465	1.0
81.03408	8.4
81.07034	1.2
83.04497	1.0
83.04972	15.5
85.02898	27.3
86.09676	1.0
91.05469	4.7
91.71109	0.7
93.07041	6.2
95.04939	2.1
97.02892	10.1
99.04455	19.6
103.03932	21.3
105.07019	5.0
107.08585	20.1
107.65963	0.6
109.02153	1.1
109.02875	19.1
109.06503	1.2
109.10181	0.8
112.88149	0.6
115.71070	0.6
119.08562	2.4
121.06517	1.4
123.11716	1.0
124.47324	0.8
125.25684	0.6
127.03913	48.6
131.08563	0.7
133.10124	19.2
135.11685	20.9
137.09578	1.9
145.04956	11.9
151.11166	1.6
161.09590	9.4
163.06027	6.8
179.10657	33.9
186.07581	1.2
187.06105	1.3
197.11717	100.0
198.12090	2.5
205.06978	1.2
214.14363	0.9
227.09062	0.9
238.14436	3.3
245.10370	1.3
253.06960	0.8
268.50723	1.0
271.08060	2.5
286.09763	0.7
289.09088	1.9
307.10397	0.9
322.75797	0.8
340.22937	0.7
359.16977	1.8
379.10184	0.7
392.97043	0.7
449.17770	1.0
467.19116	6.7
468.18997	1.0
485.20178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98949	3.7
56.03007	4.3
56.05025	8.7
58.06578	10.3
60.49101	4.0
60.65696	4.3
69.00190	4.7
70.06584	17.5
74.06071	52.4
84.04514	8.0
84.08143	5.6
86.09684	9.0
91.05491	8.9
97.78297	4.5
107.04942	6.0
115.76233	4.7
119.04956	10.8
123.04465	6.0
136.07564	100.0
165.05490	8.7
178.19400	5.1
182.08133	20.8
193.09720	30.8
202.08592	7.6
221.09267	16.3
259.71207	5.5
265.11984	14.2
268.62167	4.9
283.12909	22.8
322.13849	13.2
485.20428	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	504.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99572	16.8
61.39177	5.2
67.84138	6.0
76.02220	47.7
80.04979	9.7
91.05459	8.2
91.71127	8.0
93.07037	7.9
104.20823	6.9
107.04938	18.9
114.03793	9.2
116.01653	40.9
117.48930	7.1
121.06497	69.4
129.42796	7.1
130.05017	9.0
142.03204	70.6
150.83701	7.0
158.09634	11.3
162.02194	26.9
168.08124	6.4
170.02721	13.9
179.04883	33.0
186.09085	13.8
232.09677	17.3
245.05930	21.9
280.13364	27.1
291.06476	24.3
326.13867	100.0
429.14810	12.7
464.47498	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	504.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56678	13.1
62.06078	59.0
67.05476	45.7
69.07056	15.6
79.05483	16.5
81.07058	30.9
85.95448	16.2
87.48420	14.9
88.35052	14.6
91.05477	24.3
93.07072	14.9
95.08597	35.0
96.50867	14.4
98.98436	24.8
105.74440	16.1
112.67480	16.7
157.55046	16.3
159.36377	14.9
206.97333	17.1
275.36414	15.8
354.63623	16.1
359.59753	20.4
360.88315	20.5
363.28983	100.0
451.51627	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	504.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.6
57.03442	11.4
64.80283	4.3
65.03522	4.9
67.05495	39.1
69.07066	18.9
75.91135	4.2
79.05499	21.6
81.07057	43.0
90.32413	4.9
91.05503	18.1
93.07061	18.7
95.04998	7.3
95.08591	37.7
109.10186	12.3
131.08611	7.6
159.16464	6.2
348.34763	6.9
363.28909	100.0
457.39566	7.1
513.27600	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	504.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15528	3.8
57.07069	100.0
63.81845	4.5
67.08816	4.0
74.08302	4.1
80.18552	4.9
133.19633	5.4
214.19188	5.2
263.04657	90.7
319.10873	52.9
360.13779	8.6
375.17160	88.4
416.19662	9.9
431.23373	64.8
487.29657	49.9
504.33667	17.1
528.32233	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	504.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51537	9.6
59.04993	12.8
64.95448	10.2
68.27600	10.4
69.07047	51.0
71.83578	9.5
73.06535	12.5
78.95288	9.4
79.27919	9.7
89.06019	100.0
90.44891	10.7
91.05481	19.1
93.07037	33.9
104.32580	11.3
104.88549	10.7
109.09921	11.3
111.11735	30.5
121.06510	83.8
124.83772	10.2
130.08662	25.5
133.06479	41.1
133.08612	49.8
161.96202	11.4
175.11182	34.8
177.11177	21.3
185.41301	11.6
218.94637	13.2
234.80165	12.3
275.20123	25.7
278.94540	10.6
436.11636	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	505.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08327	4.5
53.87502	5.7
54.32630	4.6
57.07070	100.0
68.79734	5.3
77.94433	6.1
87.04446	9.1
88.54048	6.2
89.06027	78.4
109.33656	5.9
124.25792	6.4
129.86548	5.9
130.08650	24.4
131.37184	5.7
133.08595	61.4
146.93936	5.9
148.30649	6.4
148.45410	6.3
155.02577	15.2
175.11259	7.5
177.11276	10.0
178.45387	6.0
184.02869	10.7
232.42513	7.1
259.55811	6.5
267.15042	90.5
290.39487	6.7
311.17743	29.7
313.25980	6.9
389.31927	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68726	2.8
53.83781	3.2
55.99755	2.6
59.68385	2.6
67.05444	3.6
73.23813	3.5
78.13686	3.3
89.03906	3.4
97.39407	3.7
103.74851	2.9
107.58595	4.5
108.92845	3.4
117.03386	10.8
145.02831	23.8
149.05965	4.9
164.02054	3.7
177.05440	100.0
186.05536	18.6
351.98074	4.1
355.20258	4.0
493.42776	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43325	13.0
56.82439	14.9
58.69755	15.4
66.29462	11.8
75.72051	14.5
76.38225	15.0
79.61822	16.0
112.66327	18.0
115.46481	15.2
120.61366	17.3
128.50850	18.1
137.89046	17.1
145.02924	18.5
148.12268	16.9
177.05504	100.0
293.39120	22.9
339.45822	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28694	2.7
54.79915	2.9
54.94886	2.9
61.65947	3.1
80.86197	2.9
83.09116	3.4
89.03923	10.8
89.33395	3.0
93.30532	2.8
117.03374	26.9
118.95551	3.4
145.02852	39.8
149.05949	7.9
153.16675	3.4
158.06032	10.0
177.05455	100.0
177.07022	5.6
186.05519	36.8
234.29654	4.2
277.69397	3.6
302.89508	4.5
383.59561	3.6
393.24576	4.3
404.67224	3.8
437.27585	3.9
479.47528	4.2
505.31409	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	505.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28769	1.5
51.36686	1.5
57.03404	3.4
62.27496	1.9
65.26852	2.0
80.49284	2.1
83.58224	1.9
89.03903	12.1
116.80786	2.5
117.03371	27.6
124.47311	1.8
126.96559	1.9
133.32129	2.1
134.03584	2.6
137.06035	2.0
145.02841	38.5
147.04666	2.0
148.35449	2.0
149.05984	6.5
158.05991	8.9
177.05457	100.0
186.05486	32.8
227.42416	2.1
505.31442	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93547	0.5
52.52452	0.5
55.05487	1.0
57.03406	1.8
63.02343	0.8
67.05516	0.5
68.34296	0.5
69.07039	1.4
69.86472	0.7
75.21034	0.6
81.07022	0.6
83.08598	0.8
89.03908	11.5
91.05470	1.2
97.10114	0.6
103.03891	0.8
103.05460	0.8
106.04218	0.7
117.03368	27.8
134.03595	1.9
135.04391	2.5
137.05962	1.3
145.02837	46.4
149.05977	9.4
158.06007	9.4
162.05516	1.4
177.05453	100.0
186.05489	29.0
280.40372	0.7
329.26758	1.3
355.59564	0.6
505.31506	28.2
506.31540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3499
Annotation	Yardenone A
Peak:m/z	Relative Intensity
51.49579	8.4
51.49820	8.1
59.03271	6.8
59.24615	6.9
78.03986	7.2
90.42268	7.5
91.71819	8.5
93.83276	9.4
113.83990	8.4
123.83518	11.4
258.81332	10.1
369.08151	11.8
374.11652	10.4
505.34781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12318	5.0
53.21554	5.3
55.05529	5.8
59.03648	5.2
66.93726	5.3
73.31320	6.2
73.93219	5.8
91.05485	13.7
95.73264	5.9
107.04985	25.4
120.26046	7.8
121.06503	11.6
137.06017	10.0
140.22244	6.5
164.45743	7.0
211.07600	16.8
213.09103	10.3
248.10828	10.5
408.25766	9.2
475.94598	9.8
478.20239	9.5
499.99695	8.2
506.19678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
58.76500	0.8
59.52005	0.8
59.68216	0.8
61.37109	0.8
69.03411	5.3
69.07058	8.1
70.02951	1.8
70.06601	1.5
71.05005	2.0
81.03393	5.6
81.07047	1.3
85.02901	25.6
86.09698	100.0
87.05599	4.0
91.71115	1.4
96.08135	1.3
97.02888	8.2
99.04446	11.5
99.05022	0.9
103.03936	31.4
103.04599	1.7
105.07037	2.4
109.02910	4.4
113.10805	2.3
120.08145	4.6
121.10125	13.1
124.07626	1.2
127.03918	33.5
135.09132	1.0
138.09204	2.5
141.10295	4.2
145.04945	16.5
145.05939	1.3
151.25246	1.0
155.11823	4.1
163.06023	19.7
166.08711	1.8
183.11240	6.4
187.06151	1.3
200.13895	6.4
211.10976	3.1
217.97624	1.0
228.13432	29.6
245.97313	1.0
271.08182	1.4
279.16974	6.5
289.09381	3.3
294.81973	1.3
296.19849	2.4
307.10098	6.3
341.21921	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	506.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.0
57.03416	9.9
57.07061	14.8
61.02912	5.6
65.57339	2.4
66.72726	2.3
67.05132	4.9
67.05495	87.7
69.07061	20.6
69.11138	2.7
71.05003	3.0
71.08621	7.8
73.02929	2.6
74.24987	2.6
79.05488	20.6
81.07047	100.0
83.04995	3.0
83.08614	13.6
85.02882	6.1
85.06538	6.2
85.10128	3.0
86.09705	5.2
91.05472	29.2
93.07041	23.5
95.08596	74.0
96.66495	2.9
97.06509	6.6
97.10166	5.1
99.00408	2.9
99.08085	8.5
104.10732	10.4
105.07025	18.0
107.08583	12.3
109.10155	29.3
109.37175	2.6
111.08127	2.8
113.09641	5.0
119.08580	16.7
121.10137	20.6
123.11709	16.1
125.09476	2.6
127.11190	5.0
133.10135	22.3
135.11670	17.8
137.13269	19.9
147.11688	10.7
149.13281	5.8
151.14813	16.0
161.13249	14.5
175.14807	9.3
184.07274	3.2
185.92053	3.0
217.19496	60.2
235.20554	76.9
309.24216	32.0
339.90991	3.4
345.34903	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	506.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22876	10.1
55.05499	15.5
57.07043	14.2
65.00900	9.9
67.05494	80.6
69.07037	25.2
70.72220	10.0
73.13480	11.1
73.98584	11.8
79.05485	26.3
81.07040	100.0
83.08590	15.8
93.07049	25.8
95.08587	88.8
107.08596	26.6
108.10295	12.6
109.10161	42.8
119.08525	22.4
120.55186	14.6
121.10088	26.0
126.36768	11.6
127.37088	11.4
133.10152	23.4
135.08032	13.8
135.11687	24.2
137.13240	34.0
151.14786	16.7
161.13260	24.9
167.72391	13.4
211.07405	13.5
217.19452	75.2
223.79326	13.7
224.75450	12.8
235.20587	89.9
309.24115	19.5
368.76773	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	507.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32302	6.5
56.96563	38.0
63.44900	5.3
67.02602	5.5
70.06573	12.5
72.05178	5.3
77.96552	5.3
84.04493	6.9
85.73362	6.6
86.09715	6.7
98.97578	54.9
110.97601	17.7
116.98614	19.1
117.03748	6.8
128.98590	18.8
130.05031	6.7
133.88403	5.4
134.99704	9.4
140.00137	32.8
146.99686	13.1
147.04395	6.5
152.00230	27.4
158.01295	20.0
165.54256	7.8
166.58685	7.5
170.01270	20.7
179.00156	21.0
181.02866	20.9
184.02843	8.9
185.01244	11.6
188.74666	6.3
193.02824	13.0
197.01166	39.5
202.01732	18.3
212.02277	15.5
219.01828	18.0
220.02766	33.6
237.02757	31.8
242.03340	51.1
243.04430	27.2
260.04428	26.5
283.05991	37.2
303.05469	20.6
308.06244	7.2
321.06454	9.4
323.04239	10.9
326.06915	34.2
344.08130	15.1
364.06970	15.7
367.09525	19.3
424.14420	7.5
447.09763	59.8
465.10706	12.3
488.12344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26610	63.9
51.15639	66.7
51.83458	68.5
52.80003	61.7
54.71656	60.4
55.73651	60.8
59.50140	66.1
78.50285	72.4
91.71694	98.4
98.97952	72.5
108.99337	73.3
127.91364	74.8
166.28070	77.1
233.06073	87.3
242.72603	94.4
312.51093	100.0
388.99011	98.4
524.06567	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	12.0
74.44301	3.7
78.68527	3.7
95.40126	3.9
101.16380	4.2
138.30754	4.9
145.92171	4.1
146.68628	5.5
164.51558	4.1
174.07767	5.7
175.08646	5.1
181.00674	4.8
198.09148	5.9
200.10936	4.7
215.11809	24.3
227.11740	12.9
229.09807	6.2
242.22534	4.8
243.11407	13.8
255.11366	8.8
272.11523	12.5
315.13477	5.7
331.12836	10.6
332.13568	52.9
340.48737	5.1
413.22311	5.0
468.78867	4.6
488.11945	8.1
507.16122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2279
Annotation	(-)-Auranamide
Peak:m/z	Relative Intensity
53.03928	1.1
55.05526	0.7
58.12917	0.7
63.02974	0.6
67.05495	1.1
77.03940	0.9
79.05482	2.3
81.03371	0.7
81.07046	1.6
91.05477	8.7
93.07006	0.6
95.04957	9.0
105.03385	100.0
106.10855	0.6
112.80093	0.7
115.05455	5.0
117.07018	41.9
118.06527	2.0
122.06008	7.4
134.09662	5.3
134.39093	0.7
143.71530	0.8
184.07338	1.0
224.10701	11.3
238.12250	53.0
239.12660	1.2
252.10294	1.2
256.13290	16.4
310.44388	0.7
335.25952	1.3
350.66031	0.7
379.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3656
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
56.43898	3.5
57.07076	3.1
67.05492	4.7
74.18600	3.5
95.08542	4.2
117.26761	4.6
123.26891	4.1
125.65947	4.2
195.10030	8.2
507.36533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33911	0.5
55.84556	0.6
90.19966	0.6
91.05477	0.6
93.07025	0.9
103.05457	6.1
105.08447	0.6
106.24014	0.5
107.04944	1.1
120.08096	100.0
121.08415	1.0
131.04932	2.8
149.05972	1.0
162.37109	0.6
166.08632	45.0
168.64069	0.6
284.30692	0.8
301.33762	0.7
330.79852	0.7
338.42569	0.8
362.68982	0.7
422.12448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58600	2.1
73.08794	2.6
79.05563	2.8
83.66979	2.4
84.04518	2.3
85.02915	4.1
86.09743	5.9
91.05460	3.9
91.71265	5.2
93.07045	6.9
102.46978	2.6
103.05437	2.9
106.06613	3.3
116.05060	3.7
120.04455	6.4
120.08153	9.9
121.06457	2.5
130.06592	3.5
134.06021	6.8
144.04501	5.5
145.05078	3.9
146.06079	3.3
148.07567	16.4
150.05586	2.7
160.02852	3.4
160.03860	15.2
162.05579	4.8
163.06042	4.9
164.20108	3.0
172.03912	19.2
190.04962	28.9
204.06590	20.6
208.10017	4.9
209.10834	3.0
223.12421	6.9
233.10727	3.4
236.09554	10.8
237.10130	5.2
251.11661	14.3
264.09015	8.4
279.11212	16.1
280.11993	2.9
283.10135	3.5
306.10226	7.1
307.10703	100.0
311.14029	5.2
325.11856	18.5
339.13358	37.3
458.17490	7.6
476.18137	43.5
490.19952	6.2
508.20786	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.212
Annotation	Tyr Tyr Tyr
Peak:m/z	Relative Intensity
54.10438	1.4
60.40536	1.4
74.68352	1.8
91.05482	4.5
91.71603	2.1
94.50048	1.9
107.04931	4.4
110.73230	1.8
120.08145	2.3
132.04448	2.2
146.12737	2.2
160.07599	7.3
161.67766	1.9
172.07584	2.6
176.11948	2.1
184.07610	2.3
188.07089	15.9
189.07858	20.6
202.08690	4.0
213.09103	5.9
234.12816	1.9
241.52211	2.4
249.11842	2.2
278.11636	2.3
295.11923	4.0
462.20367	2.6
508.21207	100.0
509.21335	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09789	1.9
53.03941	4.5
54.40384	1.6
55.05499	3.9
57.03440	3.6
57.78065	1.9
59.04978	3.3
60.87971	2.1
61.02896	3.7
67.05492	2.7
69.03419	12.1
69.03755	1.9
70.06582	4.0
71.04961	3.9
73.02898	3.9
73.83263	1.8
81.03407	14.7
81.07047	6.5
83.04968	16.2
84.08138	3.0
85.02892	82.5
86.09718	2.6
86.51112	2.1
90.93198	2.2
93.07042	3.6
95.04946	10.0
95.08616	2.8
97.02880	28.6
97.06518	2.6
97.33448	2.2
99.04448	45.4
103.03932	92.5
106.00372	2.0
106.97623	1.9
107.08626	2.9
108.43990	2.1
108.92206	2.0
109.02869	16.5
109.06517	3.5
111.04411	23.6
121.10140	10.0
127.03905	100.0
139.11200	9.8
145.04953	51.7
149.09589	3.8
163.05989	41.9
167.10724	13.6
186.07634	4.4
187.06017	2.6
205.07016	2.8
217.39679	2.6
239.99550	2.3
243.12187	2.9
253.11047	2.3
271.08038	5.9
289.09341	4.3
307.10144	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	508.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	5.4
59.18620	1.3
61.39487	1.2
69.03385	2.0
69.07056	7.9
70.06573	11.4
71.95436	1.3
72.08143	3.3
74.06068	32.2
81.03407	2.1
81.07039	2.0
83.04079	1.5
83.06053	1.4
84.04498	13.9
84.08136	1.7
85.02865	4.6
86.09697	100.0
91.08627	1.4
97.02892	1.8
99.04448	3.5
100.07616	3.5
103.03930	5.8
103.05425	2.1
110.06029	3.1
111.04428	3.2
113.07109	3.5
120.08094	59.1
124.87070	1.7
127.03905	7.4
127.08676	2.2
131.08192	7.6
132.68549	1.6
137.09665	3.7
141.06577	4.8
145.04948	4.4
145.09654	3.1
155.08170	2.2
157.13373	9.9
159.07611	18.0
163.06010	4.4
164.07011	1.7
166.07220	2.5
166.08626	37.4
173.09175	3.2
177.10257	9.2
185.11424	2.6
185.12999	13.1
197.52225	1.5
223.10716	11.8
230.11368	1.8
241.15324	1.8
241.43279	1.8
286.17487	9.0
290.11414	1.9
306.14398	2.5
324.15536	15.9
325.18790	3.8
361.06467	1.8
377.18054	4.0
490.26480	8.0
508.27673	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	508.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.1
58.06580	2.4
60.08159	16.2
67.05502	3.3
69.07059	3.0
71.07352	5.5
86.09695	45.7
93.07029	3.0
96.68201	3.0
98.52825	2.6
98.65614	2.3
98.98444	2.9
104.10736	100.0
106.24734	2.6
113.19512	2.4
125.00009	17.9
140.99017	2.7
145.75113	2.6
161.46524	2.6
184.07327	64.5
198.93022	2.8
308.64120	3.3
417.92789	3.6
490.32794	5.1
508.34091	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	509.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10106	65.7
56.89463	69.8
71.61590	62.9
75.13947	74.2
78.42706	64.1
106.47600	95.6
107.12361	69.9
134.56599	72.5
212.10083	90.2
228.47711	100.0
249.55861	82.4
315.93982	92.7
535.49146	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94164	0.9
70.06567	2.5
72.08134	0.7
75.62118	0.6
84.08141	0.8
86.09689	1.2
91.05453	1.3
94.91512	0.6
101.74013	0.7
103.05479	0.8
107.04948	5.0
107.08631	0.7
119.04916	1.0
120.08033	0.8
129.42029	0.7
131.04932	1.0
137.05977	4.6
147.04379	1.8
149.04810	0.9
149.05942	1.5
164.07056	100.0
165.07338	0.7
166.08601	1.5
175.03879	2.2
177.05440	1.6
189.05382	0.8
194.08070	3.4
201.07838	1.1
205.04956	3.7
217.04907	1.1
236.09187	1.1
247.25591	0.7
269.08130	0.8
321.54126	0.8
376.18311	0.8
442.63904	0.7
492.16476	36.8
493.16635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.7
60.47797	3.1
65.68035	3.4
69.03414	8.9
70.06573	10.8
70.93245	3.3
71.04990	4.1
81.03419	11.6
81.07064	4.7
83.04487	8.0
83.04967	100.0
85.02901	48.8
86.09678	6.6
88.07627	4.1
93.07011	5.0
95.04957	30.1
97.02876	17.4
99.04433	24.4
102.51256	3.7
103.03949	53.0
107.08596	13.4
109.02874	14.1
109.10137	4.4
113.06000	81.8
113.25664	4.3
120.07877	3.5
123.11713	7.5
126.16723	3.4
127.03903	58.4
137.50356	4.3
145.04936	27.0
151.11195	8.9
157.19714	3.9
158.67284	4.0
163.05972	23.0
163.23357	4.0
164.07182	4.0
169.12224	98.0
192.45348	3.9
234.49583	4.2
316.56863	4.4
332.06183	4.6
389.11490	9.4
419.14685	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79911	1.7
67.99161	1.4
91.05482	13.1
119.04931	29.6
147.04404	100.0
265.32318	1.8
341.40442	2.0
460.38910	2.2
475.30698	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	510.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39507	2.4
57.07066	5.6
59.04984	3.5
71.08630	7.6
85.10139	3.5
87.04456	4.1
89.06004	4.9
91.05459	9.3
91.71078	6.7
93.23749	3.2
99.97468	3.2
103.03925	14.0
103.07547	5.9
119.00634	2.7
119.04958	26.1
129.67873	2.7
144.03351	3.8
147.04407	100.0
189.14355	3.5
397.06046	4.0
449.63196	4.3
475.30460	6.5
518.67078	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71146	3.1
75.38657	2.8
91.05467	10.5
119.04962	32.7
119.82939	3.2
121.37851	3.1
131.39636	3.7
142.94650	3.6
147.04408	100.0
197.31244	3.6
221.08069	4.3
267.24014	3.4
334.41302	3.6
404.48587	3.2
475.30597	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	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71146	3.1
75.38657	2.8
91.05467	10.5
119.04962	32.7
119.82939	3.2
121.37851	3.1
131.39636	3.7
142.94650	3.6
147.04408	100.0
197.31244	3.6
221.08069	4.3
267.24014	3.4
334.41302	3.6
404.48587	3.2
475.30597	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	510.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13237	5.3
53.82459	4.7
56.83918	4.9
57.03423	7.4
58.06346	8.9
58.06593	96.4
59.07366	24.2
60.08148	29.1
63.21096	4.9
64.80176	5.0
67.05476	10.8
68.87659	5.2
74.19393	5.7
75.04494	6.6
77.27836	5.7
81.07034	7.2
84.08131	10.4
84.28312	5.3
85.02910	7.2
91.05487	8.9
93.07019	12.3
105.07079	8.3
107.04944	6.9
114.76344	7.0
131.08476	6.4
144.10196	22.3
183.48915	6.5
236.14883	86.2
381.67526	8.3
492.33041	22.2
510.34244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32367	1.1
55.01847	1.3
57.03433	8.5
58.06594	51.9
59.07373	16.1
60.08162	14.3
67.05492	3.6
69.07067	2.2
75.04462	5.9
79.05476	1.9
81.07047	2.8
83.64570	1.7
84.08132	3.7
84.34178	1.4
86.09711	1.5
87.04465	4.9
88.00453	1.5
88.25616	1.3
91.05469	2.5
93.07026	4.1
95.08566	1.3
97.06528	2.3
102.05509	2.0
105.07053	2.1
107.08607	2.2
117.07027	1.9
119.32571	1.4
124.59631	1.6
127.85507	1.6
131.07028	2.9
133.10112	2.3
137.71858	1.5
143.75905	1.8
144.10197	12.0
146.22144	1.7
162.11263	6.9
223.71951	1.4
236.14909	100.0
275.19943	3.3
322.36514	1.8
330.52530	1.7
492.33121	10.5
510.34229	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3544
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
52.27694	1.3
56.05027	1.6
57.07069	13.4
57.07270	1.1
58.06605	1.9
60.08157	21.2
60.08454	1.7
61.42606	1.3
62.25058	1.1
63.68434	1.2
67.05510	3.9
69.07071	2.3
71.07357	7.4
71.08612	9.7
74.64612	1.4
76.16268	1.3
81.07054	3.7
83.08653	1.7
84.30212	1.4
85.10184	6.0
86.09698	56.8
95.08588	7.3
98.98518	2.5
104.10736	100.0
109.10175	1.9
110.87690	1.7
124.99995	24.4
184.07335	76.1
216.95605	1.7
239.23802	3.9
299.29724	1.7
313.27417	13.9
314.88120	1.7
331.28558	2.3
492.34668	5.1
510.35532	18.4
536.81256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55132	4.9
53.85437	4.6
53.85809	4.1
55.05507	8.5
57.03425	4.5
57.06839	4.9
57.07071	60.2
61.02903	8.1
67.05476	13.1
69.03442	4.8
69.07057	21.7
71.08624	49.7
73.42519	4.5
74.63515	4.6
75.04478	6.1
81.07041	31.5
83.08597	19.8
85.02894	8.3
85.10197	27.6
90.03410	4.6
95.00012	4.9
95.08588	44.0
97.02868	5.5
109.10174	26.8
119.68172	5.8
123.11684	9.8
175.12146	6.2
185.35010	5.3
239.23637	38.1
313.27338	100.0
331.28494	20.3
449.15161	5.7
469.32684	8.6
524.14453	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	511.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29883	4.3
59.69119	4.5
60.49363	4.4
66.08686	4.4
70.80134	4.7
71.79719	4.5
73.02376	5.2
74.00807	4.3
76.24886	5.5
78.58478	5.7
80.46689	4.6
93.07050	7.3
121.05604	7.1
121.06505	100.0
125.45269	5.4
129.52330	5.1
166.12245	71.9
166.77061	6.5
209.52899	5.5
211.09825	12.7
239.09537	9.0
318.14984	10.5
346.14249	57.4
514.69415	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2879
Annotation	Leukotriene D4 methyl ester
Peak:m/z	Relative Intensity
50.35602	1.5
69.62856	2.0
84.01303	2.0
105.02203	1.8
191.72337	2.3
210.28322	2.0
218.28841	2.1
236.99936	2.7
273.65109	2.5
338.34451	2.2
511.28781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83800	11.5
53.68416	11.1
54.40152	10.9
67.21037	11.6
67.75127	13.9
112.49963	16.2
141.88695	17.7
158.65599	14.2
229.30983	13.6
251.57788	15.1
289.76044	17.4
511.28787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84659	2.7
55.05499	15.8
57.07064	26.9
65.37480	3.9
67.05495	35.0
69.07059	48.9
70.06577	40.9
71.04984	14.2
71.08619	18.6
79.05476	13.0
81.07050	61.8
83.08611	18.5
85.10152	5.8
88.07626	25.9
88.95701	3.7
89.06023	17.7
91.05479	11.1
91.71056	4.4
93.07028	49.5
95.08595	52.1
96.08116	13.5
97.10184	4.8
102.09184	17.8
105.07040	15.5
107.08584	38.2
109.10148	39.4
111.11712	4.7
119.08591	18.9
121.10144	45.0
122.06039	7.7
123.11730	16.3
124.07594	30.9
130.08652	5.1
133.08571	14.3
133.10136	9.9
135.11687	17.1
140.07069	10.0
147.11688	10.4
149.13251	38.5
161.13297	8.8
163.14822	8.0
175.14815	7.2
189.16261	4.6
195.11624	4.2
204.13899	5.6
222.14839	100.0
222.16812	7.3
228.23177	5.7
240.15942	18.4
256.26349	45.3
273.93625	4.1
283.26315	46.0
311.29660	4.7
405.74695	4.2
512.42639	7.1
512.50299	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77787	3.8
53.01462	4.1
53.32207	3.2
55.05490	13.1
57.07067	35.8
59.19766	4.2
63.05685	3.4
63.18961	3.5
64.61808	3.4
66.57568	4.1
67.05502	32.9
69.07057	52.4
70.06582	56.2
71.04981	13.8
71.08620	15.7
71.25314	3.9
79.05479	13.2
81.07047	89.8
83.08602	17.5
85.10183	7.2
85.16275	4.1
88.07634	27.0
89.06033	27.8
91.05480	17.6
93.07041	52.2
95.08605	62.2
96.08100	14.1
97.10163	8.0
102.09179	21.6
105.07014	18.7
107.08585	47.7
109.10149	38.9
119.08601	17.3
121.10149	39.4
122.06004	4.6
123.11713	20.1
124.07603	33.4
132.67303	5.0
133.08630	17.6
133.10139	13.8
135.11699	15.3
137.13281	10.3
139.03276	4.7
140.07037	10.6
147.11722	8.5
149.13269	49.8
161.13315	10.4
163.14902	10.3
164.15605	4.3
217.19556	8.3
217.54416	5.7
222.14885	100.0
240.15967	17.5
256.26331	46.4
283.26312	47.4
313.51230	5.2
327.20248	8.7
408.43771	6.1
512.50330	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	41.8
65.53974	3.4
69.07031	5.9
70.06572	9.0
71.08627	33.5
79.55400	3.3
81.07073	3.4
85.10175	13.8
85.61163	3.2
87.04459	4.5
87.52615	3.3
88.07620	14.3
88.80357	4.1
89.06021	100.0
89.06541	7.7
101.77042	3.4
102.09183	11.9
104.20351	3.8
117.09129	5.0
130.08571	22.8
133.08601	42.9
149.35123	4.3
169.19545	4.7
177.11224	18.7
213.40993	4.4
226.01663	5.0
256.26279	21.6
257.24902	6.7
265.26981	3.9
283.26376	18.0
301.27231	6.0
327.20099	14.4
495.38702	7.9
512.50153	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06881	6.0
70.06578	15.3
84.96088	7.1
85.02864	6.5
91.71070	15.1
91.71564	13.6
98.97585	16.1
104.37328	7.3
105.07020	8.9
105.29900	8.1
107.08584	11.4
108.31738	6.6
115.26551	7.0
116.98617	11.3
131.00148	6.9
140.00201	14.3
143.08644	7.4
145.10133	24.1
162.83545	9.5
171.11771	10.5
189.12727	100.0
200.02251	12.3
201.74890	7.4
212.42444	7.3
234.89395	8.2
280.83749	9.7
290.10748	14.2
323.11642	13.9
395.17993	10.5
513.17230	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05694	2.1
70.06569	4.8
72.16333	2.2
75.13142	2.5
84.08141	2.6
86.09690	5.2
89.60548	2.5
91.05477	2.8
100.31451	2.4
140.59671	2.9
145.10083	4.0
157.41983	2.6
158.60469	2.6
170.06905	3.0
189.12706	9.1
194.59578	2.9
197.15102	2.9
197.58255	3.0
260.39291	3.1
305.64944	2.8
312.77716	2.8
384.70212	3.2
409.76419	3.3
422.51511	2.7
451.19073	4.7
478.74915	3.3
513.19147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00625	1.2
64.50144	1.2
91.05466	5.5
92.41098	1.5
93.07040	5.9
95.04978	3.7
98.68387	1.4
99.45309	1.5
103.05472	3.2
121.06499	100.0
122.73129	1.6
154.01241	1.7
157.20018	1.6
166.12260	76.0
209.08473	1.9
224.71303	1.4
228.32222	1.7
250.31975	1.9
276.69473	1.9
501.32053	1.8
501.39703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.9
58.38548	7.3
58.64705	7.6
62.06072	16.6
67.05492	20.3
67.79362	6.8
70.86752	6.5
79.05481	28.3
81.07040	15.9
88.69258	6.8
89.54865	7.7
91.05458	40.8
93.07039	29.4
95.04951	15.1
95.08586	18.2
98.98457	22.1
105.07032	35.9
107.04958	12.0
107.08595	17.0
109.67489	7.6
110.69051	7.2
117.07021	23.9
117.28994	8.8
119.08584	20.3
121.06470	9.4
121.10126	12.5
123.08061	8.4
129.06979	16.9
131.08598	36.1
133.06471	10.1
133.10109	10.5
135.08084	9.1
137.78790	7.0
141.07008	15.9
143.08539	13.1
145.06551	11.5
145.10139	18.6
147.08000	12.1
149.09662	15.1
155.08463	13.2
159.08055	24.5
159.11647	9.9
161.09651	16.3
169.10101	9.7
171.11742	21.1
173.09619	8.3
178.25230	7.1
197.13336	10.1
203.14346	8.4
215.14314	29.4
224.23640	9.8
253.19630	10.3
281.18933	14.7
299.20050	35.1
319.59744	8.6
332.53555	9.3
373.23688	100.0
453.20264	72.5
514.25812	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	514.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.03410	5.5
58.06309	2.6
58.06593	42.7
59.07376	9.8
60.08162	12.4
64.66737	1.4
69.07073	3.8
75.04465	5.4
75.37714	1.3
83.08585	2.3
83.80816	1.4
85.02884	1.5
87.04422	1.5
103.03959	1.7
105.05569	1.4
131.07028	3.2
144.10187	9.6
162.11237	3.1
236.14926	100.0
416.46719	1.9
478.93228	2.0
496.39975	16.1
513.50873	2.3
514.41064	43.8
515.40869	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	515.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71355	5.6
70.06586	48.2
71.31987	6.2
72.08142	31.2
84.08152	9.6
86.09679	29.4
91.71720	12.8
98.06013	6.7
110.07121	9.4
123.69113	8.9
137.39172	6.9
149.92776	8.5
304.38593	8.5
455.18307	9.3
515.20941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39919	13.4
56.95190	13.5
67.05492	28.2
67.27169	15.1
69.07039	26.2
81.07025	17.0
84.04493	100.0
91.05482	26.6
93.07032	29.7
99.04492	17.3
100.04251	15.8
109.06521	64.5
109.10143	22.7
118.79004	16.1
121.10133	26.8
122.02728	81.7
123.08058	18.4
130.05026	30.2
131.08546	20.9
133.10173	20.6
135.11652	18.3
142.03186	22.0
149.09657	30.0
152.17764	17.2
163.11095	21.8
191.14357	48.4
251.07004	88.1
265.17883	82.7
322.48343	18.7
347.58530	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	515.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	14.0
59.06839	10.5
69.07067	13.5
76.02221	22.9
78.56892	10.8
80.18888	11.0
81.07087	20.7
84.04491	100.0
84.73569	10.8
91.05507	21.4
91.71190	33.7
91.71676	15.7
93.07086	27.4
95.08609	23.1
102.05601	15.2
105.07010	16.0
107.08602	17.5
109.10171	21.1
119.08591	27.8
121.10146	13.1
122.02724	76.9
130.05020	33.4
131.08586	20.0
142.03235	17.2
149.09697	22.4
163.11252	17.7
164.72205	12.8
195.57300	13.2
219.17371	18.8
245.92566	14.0
247.17039	48.8
251.07030	56.5
265.17853	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98310	1.1
53.03946	2.0
57.07087	2.1
67.05518	5.5
69.03432	5.7
71.05002	6.2
77.10138	1.3
79.05498	2.4
81.03432	4.4
81.07060	3.5
85.02888	21.0
85.06546	2.2
86.69306	1.6
86.96355	1.6
91.05491	5.5
93.07056	4.0
95.05000	5.1
95.08630	5.2
97.02267	1.3
97.02844	6.8
97.06549	3.1
99.04449	13.2
99.04960	1.3
103.03939	26.2
105.07007	7.5
107.08627	6.1
109.02926	4.5
109.06508	100.0
109.10151	20.9
111.08089	2.8
117.07030	2.2
119.08618	3.7
121.06587	1.4
121.10188	4.6
123.08060	12.5
127.03902	23.6
131.08580	13.9
133.10124	19.9
135.08046	38.6
135.73466	1.6
145.04979	11.1
145.10165	4.2
147.11653	1.8
149.09648	3.0
153.09213	2.1
158.11070	1.9
163.06059	5.7
168.71342	1.5
173.13251	17.3
173.14447	1.5
191.14293	58.7
197.42744	1.3
202.62981	1.5
209.15337	38.1
219.81638	1.6
307.10349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48764	1.8
53.03936	2.4
53.51205	1.9
54.56920	1.9
57.07060	4.3
59.62336	2.2
61.02915	2.4
62.46081	1.8
67.05491	6.8
69.03413	8.4
71.04980	10.7
72.36852	2.1
74.82787	2.7
79.05459	3.3
79.41345	2.3
81.03409	7.3
81.15063	2.4
85.02894	41.2
85.05124	2.3
85.06533	4.0
87.04473	2.9
90.77974	2.5
93.07028	5.3
95.04957	3.2
95.08622	5.4
97.02923	12.6
97.06526	4.0
99.04446	26.6
103.03938	48.7
105.07030	5.6
107.08588	11.6
109.02892	8.7
109.06512	100.0
109.10146	23.6
111.07994	3.3
115.70580	2.4
119.46200	2.3
121.10163	6.7
123.08062	10.5
127.03909	47.9
131.08574	10.8
133.10118	12.1
135.08057	37.4
145.04990	20.2
149.09666	3.5
153.09131	2.7
163.05977	15.5
173.13278	14.6
191.14308	62.8
195.70476	2.4
205.07069	2.5
209.15375	28.6
222.95653	2.5
225.38498	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.10052	1.1
56.38544	1.3
57.07063	2.4
65.47599	1.5
67.05492	9.0
69.03404	5.6
69.07063	1.7
71.04977	8.3
74.67618	1.2
79.05466	2.6
81.03398	4.6
81.07047	5.7
83.94917	1.4
85.02898	23.2
85.06547	4.2
91.05491	6.9
93.07030	6.3
95.04967	4.2
95.08608	5.5
97.02877	9.0
97.05946	1.3
97.06537	2.4
99.04441	14.1
103.03942	25.0
105.07021	7.9
107.08611	8.7
109.02882	4.9
109.06512	100.0
109.10152	24.6
117.07050	2.7
119.08583	4.1
121.10162	4.2
123.08070	12.8
127.03922	25.0
131.08563	15.9
133.10126	27.3
135.08043	40.1
143.08556	2.2
145.04936	10.7
145.10146	2.8
147.08096	1.6
147.11703	2.4
149.09575	1.8
149.13194	3.6
153.09036	2.7
158.10945	1.8
163.05989	8.6
173.13240	19.5
175.11198	3.2
191.12573	3.1
191.14301	57.0
191.15990	3.1
209.15356	36.4
210.30559	1.5
257.34256	1.4
431.31833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65908	2.9
53.03943	5.6
55.05502	7.1
56.96548	3.9
57.07061	5.0
59.87805	3.1
61.02914	3.5
62.82157	3.0
67.05502	8.1
69.03421	17.1
69.07050	10.9
70.06588	8.5
71.04990	10.4
79.05488	7.9
81.03431	24.0
81.07056	32.6
83.04965	9.4
83.08624	12.7
84.04508	3.4
85.02428	5.2
85.02901	69.9
86.09675	9.1
91.05480	9.8
91.71674	5.4
93.06561	3.3
93.07034	22.3
95.04958	8.6
95.08604	12.8
97.02898	24.1
97.06542	7.2
98.97543	8.1
99.04447	48.2
103.03938	76.4
105.07026	17.1
107.08585	18.6
109.02865	26.3
109.06516	92.7
109.10147	19.9
119.08588	5.3
121.10152	13.9
122.91790	3.4
123.08069	13.7
123.11709	3.9
127.03915	100.0
129.85367	4.3
131.08563	10.7
133.10156	22.4
135.08026	22.5
135.11694	5.5
145.04945	39.6
147.11713	8.7
149.09607	4.8
149.13290	8.7
153.09103	12.2
163.06042	29.4
163.07411	6.4
165.12750	7.6
171.10129	5.8
173.13292	15.5
187.06012	9.3
191.14288	57.9
193.08536	3.7
209.15338	51.2
239.01237	4.5
242.03305	4.6
315.11676	4.3
353.12891	4.8
371.13754	11.5
515.19647	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	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94861	4.0
69.03404	17.1
70.06582	33.2
71.04980	7.5
75.27443	4.5
77.76591	4.2
81.03412	13.1
81.07043	5.0
85.02901	48.7
86.09699	11.0
88.03825	4.4
91.05481	14.5
93.01031	4.8
93.07028	6.9
95.05009	5.1
97.02894	30.9
97.03470	4.1
99.04442	31.1
103.03935	51.0
105.07015	14.0
107.08593	7.7
109.02892	17.2
109.06482	24.8
109.10148	8.5
119.08600	6.6
127.03906	73.9
131.08572	15.7
133.10121	100.0
135.08043	37.6
135.32358	4.9
145.04939	32.5
145.10187	8.9
149.13303	5.2
163.06015	21.4
173.13269	35.7
191.14275	72.6
209.15358	7.6
229.15550	6.1
252.52211	6.4
252.73085	5.4
280.92764	5.5
314.99429	6.0
401.02155	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	515.2979
Annotation	fijianolide A
Peak:m/z	Relative Intensity
52.19613	2.9
53.32278	2.9
80.52592	3.4
127.13129	3.1
134.20593	3.7
149.34685	3.5
194.36449	3.9
216.38168	4.3
234.38252	4.0
311.62842	4.1
328.92236	4.6
515.22675	7.2
515.29852	100.0
515.36816	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	515.2977
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.94579	6.1
53.18467	6.1
53.20343	6.7
54.56940	5.7
58.28630	6.5
60.07082	7.0
68.40990	6.0
84.25203	7.7
209.67500	9.4
261.57224	8.6
310.53961	9.1
317.55975	9.4
336.85583	8.3
376.46399	8.2
381.94168	9.9
515.29724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81573	5.1
71.00671	5.8
85.95294	5.6
103.65506	7.1
108.11109	6.8
146.75655	6.1
177.49916	7.1
179.78964	7.8
508.78357	8.1
515.32001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55369	2.8
72.27162	2.7
75.38599	2.6
86.09705	4.2
122.06049	3.6
145.77182	2.9
185.04161	3.4
231.79782	3.4
309.26996	3.5
317.47525	4.3
497.34457	4.5
515.31879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00560	4.1
55.05494	14.9
57.03426	4.2
57.07087	3.7
58.06571	6.8
67.05492	84.9
69.03411	6.7
69.07056	14.6
75.91871	4.1
79.05488	41.9
81.07046	100.0
83.08620	8.6
91.05467	26.2
93.07034	72.9
95.08591	66.1
97.02878	5.1
97.06532	5.5
105.07030	24.4
107.08591	33.8
109.10147	40.6
117.06998	9.0
119.08580	16.6
119.09389	4.6
119.29414	5.0
121.10146	37.2
123.11720	17.9
131.08543	24.0
131.16541	4.8
133.10114	8.5
135.11630	21.8
137.13271	6.0
145.10123	16.2
147.11696	14.4
148.36926	6.6
149.13249	16.3
159.11676	16.4
161.13293	10.2
163.14839	12.5
173.13278	14.7
187.14810	8.3
198.33606	4.5
229.45764	4.8
238.75237	4.9
240.75682	4.7
243.21121	21.0
250.43263	4.9
258.38751	4.8
261.22107	57.5
276.05148	4.3
291.42596	4.7
353.26938	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	516.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94311	10.6
67.05490	35.3
69.07052	22.8
78.56362	10.8
79.05478	38.9
81.07042	78.7
84.29903	13.8
91.05474	40.8
93.07024	24.9
95.04967	27.5
95.08553	19.2
105.07025	32.2
107.04914	19.5
107.08575	15.3
109.06516	14.7
109.10157	17.3
117.07000	13.1
119.08602	15.8
121.06483	19.0
123.04408	19.4
131.08528	16.0
135.08089	12.9
135.86249	14.1
137.05943	35.6
147.04416	18.4
149.05992	23.5
175.07590	14.4
179.41396	13.5
195.35460	15.1
280.90833	14.0
345.20566	37.1
471.34311	20.0
516.29541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15068	4.8
50.15899	5.4
50.22511	4.4
54.34564	4.6
55.05488	4.8
63.25456	5.4
67.05486	7.3
70.06573	12.6
72.33861	5.3
91.10661	6.0
93.07028	6.4
108.64221	5.7
109.06483	7.2
126.45565	6.1
127.03911	7.9
155.72740	7.9
164.07072	21.2
177.07864	40.1
231.83493	7.3
252.15953	7.7
302.17560	23.5
370.94025	5.9
374.19556	100.0
412.29092	7.1
516.29620	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	516.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26624	1.6
50.84607	1.4
57.03405	1.5
60.08149	7.8
71.07349	3.8
76.82849	1.8
80.43883	1.7
86.09701	42.1
98.98473	4.2
104.10759	5.9
119.66270	2.2
124.99994	25.5
169.25882	2.3
184.07335	100.0
188.38367	2.1
209.44382	2.0
228.13226	2.3
264.13083	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	516.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93662	6.1
52.06467	6.7
60.08147	17.2
60.42768	5.9
63.90171	6.5
65.67328	7.3
69.30303	7.1
72.59898	7.4
80.48821	8.1
86.09705	67.1
91.71067	13.5
103.50612	8.4
104.10743	100.0
125.00008	20.5
156.97147	10.1
184.07335	94.6
217.87866	9.6
274.67938	10.5
325.85635	10.0
516.30957	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	516.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	100.0
70.06936	6.9
71.48006	4.0
72.07153	3.9
72.08160	9.6
73.94730	4.0
84.08169	8.3
86.06046	24.8
86.09679	46.4
96.20270	3.8
97.07678	4.5
102.05527	3.9
112.08732	28.8
114.05524	31.6
115.08707	16.8
134.08134	4.0
140.08220	5.1
166.08623	4.5
200.74263	4.5
202.83578	4.5
226.01981	4.7
270.15601	11.4
342.23929	4.8
386.54309	5.2
516.31390	68.4
516.38904	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	516.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61396	5.8
57.07060	19.5
64.63641	6.1
67.01209	5.2
67.05509	6.3
69.03421	7.2
81.07032	7.4
85.06541	19.1
87.38305	7.1
91.05485	34.9
93.62061	7.5
133.10118	100.0
149.09654	26.3
153.09088	8.5
153.47163	7.6
171.10190	18.7
179.53758	7.2
189.11223	20.3
236.14967	11.0
241.19189	7.0
254.95155	7.7
311.95569	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	517.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02767	1.8
72.98548	1.7
75.57312	1.6
78.67755	1.7
91.71015	2.1
95.68737	1.8
103.35368	1.9
112.89621	3.1
116.04317	1.8
130.86234	2.0
135.94139	1.9
149.74617	2.2
174.89594	100.0
185.71468	2.3
363.03897	2.5
381.08151	5.6
408.59213	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	517.371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91225	1.9
79.37282	1.9
91.71670	2.9
96.66879	1.8
178.09958	2.1
180.95792	2.2
285.99799	2.5
512.53113	2.5
517.37061	100.0
517.44830	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	518.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34587	1.8
55.89354	2.1
73.04774	3.8
77.00584	13.1
84.14038	2.0
89.06059	7.1
91.05810	6.7
95.01637	45.4
95.02203	3.1
99.02674	2.9
102.03782	4.9
114.07372	23.2
117.03720	3.4
118.03213	100.0
119.01666	4.4
121.03185	3.6
121.62868	2.3
130.08684	3.7
142.06837	3.0
144.04808	8.0
145.06789	50.8
147.04715	27.1
161.09964	3.4
165.05847	4.4
188.07440	4.1
189.09383	15.1
191.07440	7.5
205.12746	2.4
233.12025	11.4
239.09624	7.6
321.17230	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	518.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44451	10.8
57.03438	11.7
57.07051	46.1
62.80870	10.5
65.88309	12.7
66.25326	11.6
67.05476	11.1
71.08612	49.7
71.08981	12.8
81.07031	21.0
86.09694	100.0
86.63433	12.0
95.08585	22.9
106.98382	14.6
109.10138	16.5
110.25166	13.2
111.98056	12.7
146.98138	80.3
212.35156	16.3
237.45990	16.8
309.79251	17.2
313.27338	37.7
353.81458	16.5
459.24689	78.5
518.32172	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	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54755	1.0
52.18392	0.9
56.05017	1.8
57.78714	1.1
58.06583	1.5
60.08150	17.7
66.46597	1.2
67.05473	2.6
71.07348	6.9
79.05489	1.4
86.09692	57.9
88.15624	1.3
91.05424	1.6
98.98463	3.3
102.04821	1.2
104.10730	100.0
124.99991	24.5
127.16075	1.2
136.64189	1.4
184.07326	75.0
283.98370	1.5
381.94754	1.4
394.20224	1.4
500.31174	4.1
518.32288	14.2
524.28491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.20646	0.2
58.06606	0.4
58.45701	0.2
60.08155	9.3
67.05494	1.1
69.07050	0.2
71.07359	4.1
77.83408	0.3
79.05499	0.4
81.07053	0.6
81.34158	0.2
86.09694	45.5
93.07046	0.5
95.08588	0.5
98.98446	3.6
104.10732	4.0
107.08578	0.3
124.99992	23.4
129.46017	0.2
130.32573	0.2
143.00948	0.3
166.02641	0.9
178.78217	0.2
184.07323	100.0
185.07596	0.3
500.30862	0.7
505.70926	0.2
518.32343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	56.3
57.03423	19.2
57.07057	44.1
67.03894	10.8
67.05487	36.4
69.07037	20.2
70.71866	10.0
71.08624	26.8
78.24284	10.4
79.05446	12.3
81.07010	28.4
83.08598	38.8
85.02718	11.7
85.49894	11.0
88.17994	10.6
89.02106	9.9
95.08601	14.8
97.10150	82.2
107.08593	32.1
109.10172	15.0
125.09618	72.6
185.94179	11.9
189.11179	40.1
227.12759	100.0
229.83820	11.8
245.13882	88.9
313.27362	72.7
370.76300	12.1
382.11603	13.2
483.36633	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	519.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92066	5.4
57.30148	7.1
71.10118	5.1
71.54562	5.8
85.20975	5.7
88.63812	7.1
118.05736	7.4
118.06555	23.0
120.62775	6.7
123.35040	6.5
130.67509	9.0
132.08093	11.0
146.06003	60.6
159.09149	7.6
170.06001	8.1
188.07042	100.0
205.09738	49.9
322.16916	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36877	2.1
56.32562	2.2
60.08154	25.0
67.04232	18.6
68.05035	3.1
77.98039	2.3
81.60807	2.8
91.22316	2.5
95.06070	8.4
102.49776	2.7
110.03703	4.6
119.04962	4.9
123.04411	3.9
125.01710	13.4
126.02440	6.2
127.03264	31.1
128.30142	2.9
139.20291	2.8
147.04425	9.9
153.00110	4.5
159.69156	3.9
165.40384	2.7
171.08070	4.2
180.01047	4.1
209.05879	2.9
214.07440	3.8
241.03166	4.7
245.03772	6.0
245.09177	4.3
246.04576	7.8
247.05302	6.9
255.06534	4.7
257.08130	10.4
269.02628	9.7
358.11087	5.0
381.08975	7.4
432.19177	4.1
458.17407	100.0
476.18475	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	520.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53026	13.5
56.44276	13.6
60.17851	12.1
63.76271	13.3
70.06580	100.0
71.04996	12.1
72.08131	15.2
72.94550	14.3
74.06075	14.9
84.04495	21.9
86.09723	27.2
94.06558	17.1
98.75374	15.4
122.06018	25.1
162.05479	93.7
163.08669	64.8
172.03947	31.9
190.05095	19.0
204.06628	41.6
217.09840	20.0
249.08630	44.0
279.09735	30.6
280.10608	23.7
298.09222	19.6
357.11942	17.8
394.04694	20.0
452.14536	49.8
470.15286	74.1
484.17014	60.8
502.18234	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	520.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14511	5.0
55.13628	4.6
57.02822	5.2
63.05981	4.9
66.61593	6.0
68.62662	6.5
69.07072	7.4
70.06606	6.6
75.44798	5.1
79.05493	5.8
80.03386	6.0
84.04498	7.1
85.61231	5.4
86.09688	85.9
93.07058	10.1
95.04967	9.0
103.05428	5.9
108.08149	14.3
120.04500	10.5
120.08154	27.2
122.09677	12.9
136.07625	9.9
138.09190	6.7
146.05983	13.2
146.66144	7.1
146.67604	6.9
148.07552	78.4
150.09166	12.4
155.11794	6.6
166.05055	23.7
166.08640	8.2
172.04039	13.5
180.10286	7.2
183.11382	8.7
190.05023	8.4
197.10852	8.1
204.06590	14.6
223.08626	7.5
228.13490	29.5
237.10176	13.4
241.09602	7.1
251.11664	8.3
253.09831	7.7
255.11389	10.8
265.09796	10.4
267.11420	13.3
280.08688	7.1
293.09265	11.4
307.10791	34.6
323.10324	29.0
325.11896	7.9
339.13608	23.0
388.16803	8.6
446.16763	11.6
447.18027	14.1
460.18826	25.0
470.17480	13.1
488.18079	100.0
514.22882	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	520.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93530	2.2
58.06585	2.4
70.06573	11.9
72.08143	4.0
78.01608	2.8
82.44415	3.0
86.09695	5.2
87.04447	10.8
89.06023	100.0
120.08109	3.9
124.25691	3.4
130.08636	27.5
131.07018	5.1
133.08598	65.0
168.50331	2.9
177.11244	22.3
184.24950	3.1
260.79803	3.4
283.17725	3.7
293.41718	3.7
422.26871	3.3
476.49902	3.4
479.62881	3.4
503.30261	10.7
520.34106	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50942	0.7
52.00411	0.7
52.61084	0.7
57.03426	1.4
58.06588	7.9
58.52693	0.6
58.90288	0.6
59.07356	2.3
60.08154	11.4
67.05498	1.8
68.32182	0.7
69.07052	1.3
69.12682	0.7
70.61940	0.8
70.91269	0.6
71.07366	3.6
75.04446	0.9
79.05473	0.8
81.07032	1.0
83.84657	0.8
86.09698	42.2
93.07008	1.0
96.92540	0.7
98.98450	2.9
104.10749	4.1
123.74546	0.8
124.99997	25.3
175.84293	0.9
184.07332	100.0
185.07805	0.9
194.79944	1.0
236.14899	14.3
502.34885	1.7
520.36328	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47132	0.5
55.05489	1.3
56.05022	1.4
57.32829	0.7
58.06583	1.2
60.07858	1.2
60.08154	19.6
64.01375	0.5
65.03916	0.7
66.84695	0.7
67.05499	4.1
69.07055	1.2
71.07365	7.2
77.03358	0.6
79.05495	0.8
79.58662	0.6
81.07059	3.2
81.57764	0.7
83.08633	0.8
86.09695	58.3
91.70918	0.6
93.07047	1.7
95.08608	1.6
98.98438	2.5
100.28709	0.5
104.10735	100.0
105.11104	0.7
107.08556	0.7
108.95000	0.6
109.10173	0.9
124.99993	24.8
143.15320	0.6
166.02670	1.1
171.34578	0.7
184.07326	70.5
258.11194	0.7
337.27393	0.7
502.32980	4.2
520.33942	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	520.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.05500	2.2
56.05003	1.5
57.03414	6.4
58.06594	80.7
59.07375	22.7
60.08158	25.2
67.05502	14.4
69.07037	1.9
72.69466	1.5
75.04462	6.7
76.44122	1.6
79.05477	8.8
81.07028	7.3
83.04968	1.7
85.02871	3.6
86.09714	3.3
87.04451	6.4
91.05468	14.2
93.07050	8.1
95.04940	2.9
95.08595	3.8
98.06052	1.9
104.10721	2.4
105.05446	1.9
105.07009	6.5
107.08613	1.6
117.07035	5.5
119.08598	3.9
125.00058	2.2
128.07048	1.5
131.07022	2.5
131.08549	3.5
144.10204	11.9
154.94162	2.1
162.11238	2.1
172.88460	2.2
184.07355	7.5
189.43939	1.6
218.13963	2.0
236.14909	100.0
341.61041	1.8
456.71161	1.6
502.35309	20.6
520.36255	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63834	8.8
55.05496	22.5
57.03420	29.5
58.06582	11.6
61.02915	43.0
63.51536	7.5
67.05493	100.0
69.03417	49.1
69.07078	13.7
73.02891	29.8
77.59990	10.9
79.05470	47.3
81.03387	11.4
81.07066	67.4
82.05880	8.7
85.02907	65.9
86.09711	19.1
91.03938	33.7
91.05479	92.1
91.71649	23.3
93.07056	66.9
95.04955	16.9
95.08615	42.9
97.02877	57.3
101.02369	16.4
102.48666	10.3
104.10734	11.2
105.07023	41.7
107.08590	27.2
109.02724	12.3
109.06559	10.9
109.10115	15.7
117.07016	41.3
119.08571	45.9
121.10153	24.0
127.03948	13.2
129.07057	20.6
131.08566	40.3
133.10117	20.7
135.11710	14.3
136.03654	12.5
145.10110	42.9
161.09639	12.1
184.07347	25.2
210.53975	10.8
251.27719	12.3
359.25818	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	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34967	0.9
81.07049	1.7
89.03905	7.2
91.71674	1.2
95.08604	1.5
117.03370	18.6
134.03644	1.9
145.02835	29.7
149.05983	5.2
149.15356	1.2
158.06033	5.9
171.48451	1.1
177.05453	100.0
186.05495	22.3
231.42995	1.1
264.13171	1.2
476.07526	1.2
503.30200	2.5
521.30878	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	522.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82615	4.3
54.26643	5.0
66.63380	4.0
73.74665	4.5
80.11141	4.8
82.57599	5.0
107.07310	10.5
108.08098	14.4
116.05002	5.5
122.09661	14.5
144.04544	7.5
150.09126	100.0
154.28268	5.3
163.50511	5.7
172.03973	24.1
190.04984	5.3
204.06683	6.1
204.34113	5.4
237.10103	7.1
265.09787	15.8
268.46619	5.8
268.57028	6.0
279.11301	10.1
293.09210	7.9
309.12335	9.9
325.11914	6.3
325.27020	6.5
341.11276	7.4
353.11322	16.2
462.19952	8.5
488.19504	6.2
490.19632	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.4
61.02929	2.9
69.03420	13.1
71.04988	4.5
73.02940	2.1
81.03393	14.9
85.02898	81.2
97.02887	16.1
97.03378	1.4
99.04450	44.9
103.03936	100.0
104.25564	1.7
105.07021	2.2
109.02880	17.4
119.08627	1.7
121.10139	30.0
127.03910	94.1
133.28476	1.7
135.11748	2.5
144.61053	1.8
145.04948	58.1
163.06000	60.7
163.07300	3.4
175.01921	1.6
181.12248	5.1
186.07603	4.1
187.06117	3.9
205.07167	2.5
271.08093	3.5
289.09222	4.0
307.10190	20.1
336.09842	2.7
443.06641	2.1
480.26993	2.5
483.83325	1.9
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	Unknow
Peak:m/z	Relative Intensity
58.13943	0.6
60.08160	7.5
69.07030	0.9
71.07365	4.5
73.28516	0.6
86.09696	37.8
88.34428	0.6
97.48797	0.7
98.98450	3.1
104.10715	6.1
110.06785	0.7
112.51159	0.7
124.99997	23.3
166.02652	1.1
184.07332	100.0
221.97166	0.7
324.16800	0.9
522.35583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73041	0.9
60.08160	9.5
62.56870	0.9
64.23312	1.0
71.07353	2.1
86.09701	39.2
98.98495	3.0
103.04723	0.9
104.10745	3.4
124.99995	21.8
125.44962	1.0
126.95168	1.0
129.64017	1.3
143.55496	1.1
149.18839	1.2
171.51666	1.0
184.07335	100.0
194.72070	1.2
210.60658	1.1
328.51627	1.2
366.99811	1.4
464.21295	1.3
522.35510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81378	0.6
55.05500	1.7
56.05035	1.3
57.07072	0.5
57.32842	0.6
58.06602	1.0
59.26662	0.5
60.08155	19.8
61.90179	0.4
66.84724	0.7
67.05499	0.9
69.07071	2.7
71.07361	7.5
72.81719	0.4
81.07043	2.1
81.16283	0.5
83.08065	0.4
83.08599	1.4
84.09110	0.4
86.09698	55.3
95.08617	1.6
97.10178	0.6
98.98461	3.7
104.10735	100.0
124.99994	25.1
135.11557	0.6
140.79895	0.5
143.52429	0.7
166.02612	1.2
184.07330	74.4
217.14804	0.5
219.94296	0.6
244.57967	0.7
258.10855	1.2
260.44016	0.7
260.46585	0.7
328.65921	0.7
504.34390	4.3
522.35529	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	522.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72140	2.3
56.21325	2.1
57.03416	5.7
57.07033	2.1
58.06594	62.9
59.07368	16.8
60.08156	27.8
67.05492	7.4
69.07070	3.6
71.07344	4.4
75.04446	6.6
79.05483	6.1
81.07036	6.1
86.09698	36.7
88.80316	2.6
91.05468	9.5
93.07052	4.9
95.08609	3.3
98.98444	3.1
104.10713	2.8
105.04113	2.9
105.07021	6.7
119.08540	3.1
124.99996	22.4
144.10211	10.1
146.54910	2.7
156.29990	2.6
184.07339	100.0
201.60533	3.0
203.62683	2.9
236.14917	74.3
247.83907	3.1
254.67825	3.6
504.36627	14.0
522.37933	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86079	1.4
57.03427	6.1
58.06590	43.7
59.07373	12.4
60.02077	1.7
60.08154	14.6
63.04604	1.5
64.59967	1.7
67.05484	5.3
69.07071	1.8
75.04470	3.0
79.05467	2.8
81.07043	2.1
86.79231	1.7
87.04462	5.5
88.11572	1.8
91.05476	4.5
91.71755	1.9
93.07025	3.4
105.07025	4.2
119.08612	2.2
136.95235	1.9
141.68590	1.9
144.10208	7.7
149.06044	4.1
159.62949	2.1
162.11195	5.3
236.14909	100.0
268.24130	2.3
336.43292	2.5
504.36642	13.0
522.37830	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	522.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88761	0.8
52.05229	0.9
55.01850	0.9
55.05495	1.1
57.03429	7.9
58.06593	55.3
59.07374	15.7
60.08155	17.7
62.07168	0.9
63.43303	1.0
67.05482	5.8
69.07066	1.3
71.51219	0.9
73.02903	1.1
73.37618	0.8
75.04472	4.1
76.52686	1.0
79.05473	3.1
81.07034	1.9
84.08107	1.4
84.43615	1.0
85.02879	3.9
87.04458	6.6
91.05478	5.8
93.07025	3.2
95.08584	3.3
98.06091	1.7
103.03973	1.2
105.05499	1.5
105.07021	3.9
105.77826	1.1
119.08572	2.0
129.72116	1.0
131.07039	3.5
144.10205	8.4
162.11238	5.3
181.05183	1.3
193.64822	1.1
218.13927	1.5
236.14902	100.0
237.15282	1.7
250.25768	1.3
479.83871	1.4
504.36835	16.7
518.39868	1.4
522.37866	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80220	2.3
54.98162	1.8
76.45338	2.4
82.98470	2.2
86.21879	2.5
91.95832	2.3
116.97498	2.4
191.89995	2.8
199.79315	2.6
321.03726	3.1
523.25110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.256
Annotation	Unknow
Peak:m/z	Relative Intensity
75.40617	8.6
87.84613	8.4
205.08472	9.2
206.80031	9.4
210.40114	9.3
339.24847	12.1
391.32684	10.6
523.25378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19252	5.5
62.58992	5.7
71.24281	7.3
78.04169	7.4
83.39648	7.0
91.05442	7.9
119.04939	23.1
144.48090	6.9
147.04395	100.0
152.75449	6.1
153.48949	6.0
228.41087	6.5
253.39262	7.0
261.56827	9.0
320.60953	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20914	0.9
57.03416	1.4
60.31636	0.9
65.03932	1.1
65.88505	0.9
73.46813	0.9
85.06525	1.2
91.05464	12.2
106.32950	1.0
119.04938	20.5
147.04410	100.0
364.72461	1.2
384.61221	1.4
541.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49478	71.5
63.20714	61.8
65.89447	61.7
72.91343	70.0
77.14003	64.0
91.71017	83.8
299.29312	74.6
313.96094	97.0
343.88309	100.0
467.75809	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62873	1.1
68.19632	1.0
85.02890	1.4
87.26750	1.3
91.04932	1.6
91.05470	18.5
91.49251	1.2
95.04955	7.3
96.33587	1.2
102.48435	1.3
102.67216	1.3
103.09869	1.6
108.34530	1.2
119.04933	27.2
123.04420	41.1
136.07570	100.0
137.05977	17.4
147.04410	15.0
154.08636	5.9
165.05458	57.0
182.08119	90.0
221.03989	1.6
226.76247	1.4
361.61005	1.5
381.53137	1.5
546.73035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39676	9.2
62.35575	9.7
67.09288	8.1
70.06609	33.5
79.05524	9.8
86.09730	19.1
94.06584	22.8
95.05048	9.1
107.04982	27.7
108.08116	12.6
121.48372	11.0
122.06078	23.5
134.06041	14.3
136.07625	24.1
146.05954	59.4
150.05487	99.3
160.03981	28.2
162.05594	15.3
164.07124	37.9
165.07968	14.4
172.04016	32.9
190.05023	25.7
204.06573	34.4
205.65144	12.4
221.10899	17.2
232.09882	11.0
235.63890	13.2
237.10397	12.4
239.08543	12.2
249.10347	30.4
277.09738	26.8
281.25119	12.4
295.11017	13.6
305.09253	68.0
323.10117	100.0
324.11093	16.8
337.11786	17.5
341.11313	26.4
355.12912	14.2
474.16769	32.9
492.17776	49.4
524.20203	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	524.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24907	38.0
70.06570	77.7
82.06571	40.5
105.01612	40.8
117.74252	44.0
148.07593	78.6
184.57919	40.5
197.92567	45.7
214.50436	40.3
265.09619	51.7
310.29590	46.3
323.10309	67.0
506.18689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	34.2
91.71638	22.0
107.05008	24.4
120.08086	39.4
136.10333	21.3
162.92548	20.7
164.06999	25.6
172.03906	47.5
183.27487	21.1
190.05025	99.6
204.06529	34.7
223.08710	23.1
279.11325	72.5
297.45401	24.1
323.10291	52.6
330.08554	23.7
341.11148	41.6
473.65009	26.7
492.17407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66649	16.2
55.71622	18.7
55.81670	16.4
63.09929	17.6
65.67035	17.7
70.05742	18.2
70.06577	84.6
72.08123	40.6
78.06177	23.9
84.04470	27.1
86.09689	32.5
88.03983	23.2
94.06589	33.8
107.04916	34.0
120.08112	27.8
134.06044	21.0
136.07553	35.5
140.16866	23.3
146.06003	44.6
150.05531	71.7
156.29993	21.5
160.03970	24.3
164.07089	37.6
172.03975	40.5
204.06580	45.5
219.06567	26.1
221.74812	24.0
250.09198	51.7
305.09152	55.2
323.10278	100.0
474.16983	30.6
492.17471	63.5
524.20056	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	524.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23067	1.3
70.06583	100.0
71.05350	1.6
77.42645	1.9
90.33239	1.9
91.05489	7.8
93.07075	2.7
95.04987	2.3
107.04960	12.2
110.06067	4.6
121.06525	5.3
135.50444	2.3
182.07365	2.0
193.28868	1.9
195.08130	2.5
199.07626	7.3
211.07571	7.4
213.09096	10.1
319.13406	8.4
359.24411	2.3
488.18411	2.4
489.17096	3.7
506.19333	4.0
507.18350	3.6
524.20648	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65803	4.1
56.04092	4.0
56.69707	4.0
69.03391	5.4
70.06575	12.3
72.63858	4.8
77.65693	4.4
79.05476	4.1
81.03407	8.0
85.02894	24.5
86.09695	10.4
92.05004	35.1
93.05774	9.8
93.07025	7.1
93.73148	4.9
94.06551	6.1
95.08585	9.6
99.04458	17.3
101.83418	4.7
103.03919	13.9
105.95390	4.3
106.06544	79.5
109.02853	7.6
120.08097	97.0
127.03915	23.3
131.07306	5.1
143.77573	4.8
144.08067	16.0
145.04922	8.1
152.37758	4.7
158.09669	32.4
172.11215	9.5
200.14325	65.8
218.15385	100.0
316.98044	5.1
344.29691	5.1
524.24872	85.5
525.25183	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	524.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	2.9
60.07896	1.9
60.08157	19.1
71.07354	5.0
71.08616	2.9
76.12388	1.1
86.09695	52.2
95.08570	1.4
98.98454	3.9
104.10735	100.0
108.67455	1.1
125.00000	24.3
152.80153	1.5
167.35411	1.3
184.07329	76.9
228.13098	1.9
256.25623	1.4
331.68454	1.5
340.90411	1.6
506.35983	5.0
524.36993	17.1
553.38599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36800	1.5
54.71419	1.5
55.01886	1.6
56.50032	1.8
56.60445	1.6
57.03421	7.5
58.06594	48.3
59.07377	12.4
60.08155	14.7
63.76751	1.7
67.05489	7.5
70.56862	1.6
75.04469	6.4
75.29678	1.8
79.05480	3.5
81.07072	2.9
83.48524	1.8
85.02905	2.4
87.04459	4.6
91.71107	2.3
93.07009	3.5
95.04984	1.9
95.08615	3.3
97.53711	1.9
101.38203	1.8
102.31878	1.6
112.04170	2.0
138.27132	2.3
144.10191	8.5
154.15858	1.9
162.11267	3.9
196.84212	1.8
205.29080	2.2
228.82056	2.0
236.14908	100.0
274.17404	2.4
316.51077	2.3
368.23895	2.5
391.71716	2.2
506.38272	17.9
524.39478	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.6
57.03427	5.3
69.00645	0.9
69.03416	2.4
70.06571	3.2
71.01327	1.2
72.08148	1.0
73.02924	1.5
84.04475	1.2
84.08137	6.7
85.02883	3.8
87.04550	1.2
97.02901	2.2
102.05541	2.2
110.07178	2.8
115.03925	1.5
118.93813	1.0
120.08123	2.0
129.10274	3.1
130.04968	1.3
133.04939	3.4
140.02425	1.0
140.03442	1.3
170.09294	2.2
204.08829	7.9
215.08000	1.7
216.08792	100.0
218.10410	3.3
225.06500	8.6
226.07216	3.5
229.09482	1.2
230.10333	9.6
240.08766	49.9
246.09848	4.5
258.09879	2.8
266.25729	1.1
268.08246	5.4
272.11411	3.3
283.09503	1.3
300.10873	47.5
333.12924	1.6
361.12567	8.5
375.14059	8.1
393.15146	49.5
394.15469	1.2
423.08585	1.2
521.23401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28763	8.1
70.06574	27.7
71.86837	8.6
72.08150	9.3
102.15516	9.8
112.75606	10.1
125.87885	9.4
197.28833	9.9
259.77133	12.1
309.00681	14.1
327.01929	17.8
345.02771	82.1
350.03329	33.5
363.04031	19.7
368.04358	84.3
386.05338	16.9
391.05899	100.0
392.06284	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	526.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70635	0.5
53.03918	0.8
57.07039	1.7
59.04976	1.2
60.56110	0.6
61.02928	0.6
67.05479	2.1
69.03408	2.0
69.07038	2.3
70.02930	2.7
70.84350	0.6
72.04140	0.7
72.04501	7.0
73.02901	2.1
76.06276	0.6
79.71763	0.6
81.03381	1.9
85.02895	3.8
85.06529	5.0
86.09691	1.0
87.08080	1.5
90.05543	63.6
95.04936	2.7
96.08107	0.8
97.02888	2.9
98.02394	6.8
99.04443	3.2
100.03969	1.4
103.03945	3.1
103.07574	3.9
109.02841	1.5
113.05982	1.2
116.03440	9.5
124.07590	8.3
127.03899	3.9
142.08620	4.1
145.04915	0.9
160.09706	1.3
174.11307	1.3
184.09662	10.5
184.13498	0.6
202.10722	16.3
203.23898	0.7
220.11780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	12.8
71.21387	6.1
72.08107	8.2
76.48183	7.0
85.43379	7.5
86.09699	14.0
90.05590	19.3
94.06562	15.0
96.08106	18.0
108.04467	25.4
108.08112	24.4
110.09679	16.0
120.08088	22.5
122.06002	14.1
124.07580	68.7
136.07637	17.9
138.09123	31.1
138.42216	7.0
139.65886	7.6
143.47005	8.4
144.04445	14.1
145.43523	7.3
146.06007	19.2
147.07912	7.2
148.07591	11.1
152.07100	11.8
166.08595	20.8
168.06544	17.9
172.03931	46.2
174.05432	14.4
190.04984	61.7
204.06519	53.7
206.08041	15.3
216.06197	8.4
297.12259	18.1
325.11847	100.0
343.12817	25.4
369.14563	11.5
373.13968	19.5
494.19205	75.6
508.20044	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	526.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03472	1.9
74.90257	2.1
76.70065	2.7
91.05525	4.6
93.07039	12.0
95.04961	2.4
106.06560	3.4
107.32478	2.4
109.50674	2.5
116.05016	6.4
118.06506	2.5
120.04436	4.0
120.08144	8.8
132.04581	2.1
134.06049	4.0
144.04482	4.3
148.07567	17.2
160.04012	7.0
172.03903	18.5
190.04967	18.0
204.06544	15.1
207.09293	2.9
207.71257	2.9
208.09938	4.4
222.07964	6.8
223.12273	4.9
235.08702	6.9
236.09491	8.8
251.11943	9.1
263.08490	3.6
264.09018	9.5
279.11258	22.5
283.59738	2.6
306.10019	3.4
307.10751	100.0
325.11923	10.2
339.13443	20.8
362.65103	2.6
424.94833	2.4
458.16550	3.1
476.18158	46.7
508.20905	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39135	3.5
69.38841	3.7
70.06586	5.5
82.64843	4.2
86.09677	22.9
91.05477	4.1
93.07071	5.6
108.08130	4.2
108.33872	4.1
111.24596	4.2
120.08093	9.4
148.07608	15.0
148.14636	4.5
160.03940	16.5
172.03925	8.1
190.04951	27.3
204.06610	15.4
236.09499	12.8
237.10452	5.4
251.11739	14.1
264.08878	8.0
274.53485	4.4
279.11212	24.2
306.09933	6.1
307.10721	100.0
307.13962	8.3
325.11880	14.2
339.13385	27.4
476.18134	53.3
494.19196	6.5
508.20700	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	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49492	8.3
66.42161	8.6
67.83637	7.4
70.06567	15.5
73.51178	7.5
77.17200	9.0
94.06555	24.0
96.08129	26.4
106.06596	10.6
108.08102	18.6
110.09688	26.0
116.04990	12.8
120.08086	26.8
122.06027	15.3
124.07561	89.0
136.07613	28.3
138.09166	30.0
144.04440	23.7
148.07593	16.0
152.07018	11.3
162.05493	11.3
166.08617	57.8
172.03870	72.7
172.70044	10.7
190.05023	83.0
194.45447	9.4
195.56483	8.6
198.81863	10.9
203.41873	9.9
204.04964	9.0
204.06540	49.4
279.11246	9.8
286.64465	10.4
287.10443	12.3
297.12360	19.5
325.11835	100.0
329.11304	23.7
341.11459	22.8
343.12912	19.0
494.19272	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2225
Annotation	CHEMBL563292
Peak:m/z	Relative Intensity
50.07885	0.7
53.91573	0.7
65.50549	0.8
68.50848	0.8
79.43757	0.8
88.07634	6.2
91.05470	10.5
93.07019	1.6
94.02927	2.6
95.04936	0.9
103.05461	1.2
105.07066	1.0
107.04945	12.2
108.68076	0.7
118.06546	1.0
119.04975	2.4
120.04466	3.0
120.05721	2.1
121.06515	5.3
122.06040	1.3
122.96791	0.8
131.04927	1.2
134.05998	1.7
135.25371	0.8
137.04716	0.9
141.07066	0.9
146.06012	2.2
148.03925	6.4
148.07552	2.7
149.04709	5.6
150.05486	1.7
151.06294	1.2
153.07025	1.4
155.08524	1.1
162.05518	5.7
163.06209	1.2
164.07063	2.7
165.06966	1.0
166.08638	1.0
167.08495	0.9
169.06477	1.0
174.05522	1.5
175.06311	2.3
176.07104	4.4
177.07910	2.5
181.06561	1.3
183.08104	2.0
192.06573	2.2
193.07428	1.3
195.08009	2.3
197.06070	1.1
198.06676	1.0
199.07527	8.9
211.07574	6.3
212.08353	2.8
213.09067	10.1
220.07510	1.1
220.09633	1.2
225.09177	3.3
226.06308	1.8
226.35995	1.0
227.07138	1.1
227.10657	2.8
238.08582	1.2
242.08199	0.9
249.07922	1.6
254.08073	1.7
265.63058	0.9
267.08990	1.2
268.09686	1.1
269.10480	1.3
280.09540	1.1
319.13257	9.5
466.16428	1.3
468.17874	1.1
481.19067	1.3
499.32925	0.9
508.20941	0.9
526.22198	100.0
527.22760	2.8
537.09540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88395	1.2
51.20868	1.0
52.31647	1.2
54.97870	1.4
57.61907	1.2
57.62235	1.1
65.03920	3.8
70.06588	3.0
72.83202	1.3
84.73336	1.2
87.17065	1.4
88.07621	73.7
91.05478	19.0
92.06259	1.9
99.28979	1.5
107.04936	8.1
108.09659	1.5
119.04953	2.2
120.05759	1.6
121.06464	1.8
129.07004	2.9
142.07770	5.2
143.08537	1.8
152.06209	2.8
165.06960	2.6
167.08597	5.1
170.07246	3.4
185.09619	3.2
195.08046	6.6
199.07579	10.9
210.06665	1.7
213.05768	3.6
213.09085	100.0
214.09415	3.3
226.06229	21.7
227.06989	13.7
239.06880	2.2
253.08643	2.6
333.11200	2.0
439.15359	79.5
440.15741	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	526.258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99566	3.6
74.41067	0.8
76.02217	26.2
81.07079	1.0
83.09460	1.0
84.04502	6.4
86.99055	1.1
100.02174	1.0
104.47375	0.9
116.01657	6.6
119.08590	2.5
121.10153	3.5
130.05022	4.2
131.73146	1.2
133.10124	2.8
142.03204	3.0
144.01132	3.9
161.13249	1.4
162.02159	9.0
170.02696	1.8
179.04845	21.9
203.14281	21.6
219.17421	100.0
233.05998	3.6
308.09076	31.6
362.82919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	9.8
65.71629	5.9
70.06578	15.1
88.19034	7.0
88.54929	6.6
90.36341	6.3
98.97585	47.2
103.68223	6.2
116.98634	22.3
119.80990	7.6
120.08104	8.5
120.48557	6.6
140.00217	25.0
158.01218	12.6
158.99687	24.7
177.00757	12.3
200.02318	32.8
200.84306	7.6
239.09576	20.6
242.03276	11.7
257.10779	9.0
262.11111	10.5
263.09543	36.8
280.12204	11.9
281.10593	7.8
304.12201	26.4
331.20300	9.1
383.13565	63.7
425.14786	100.0
467.15924	17.5
527.18555	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73334	2.5
51.00205	2.6
56.96548	13.1
68.23736	2.8
70.06583	4.0
71.52560	2.5
72.77894	2.6
73.42352	3.0
77.28557	3.2
78.64422	2.8
84.96028	7.1
91.71027	2.8
92.57085	3.0
98.97574	55.0
98.98206	3.7
112.99121	4.5
116.98623	24.6
131.00169	8.1
134.99661	7.6
140.00177	31.0
154.01765	5.1
158.01297	9.7
158.99622	20.0
172.02779	6.1
173.01224	8.9
177.00688	15.7
181.02904	12.3
182.01271	3.4
200.02341	35.5
213.08162	4.6
214.03859	13.6
214.45306	3.5
219.01736	9.1
221.08464	4.9
223.71895	3.9
237.02895	8.0
239.09570	18.2
242.03479	7.2
246.43967	4.5
257.10599	7.4
260.04547	8.5
262.11270	15.5
263.09470	37.4
280.12268	12.4
281.10635	14.8
304.12155	30.1
322.13174	3.9
323.12125	3.9
383.13797	59.7
401.14636	9.2
425.14792	94.7
443.15744	5.9
448.73761	4.0
467.15710	21.8
527.18689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1894
Annotation	Physalin J
Peak:m/z	Relative Intensity
56.96551	4.6
70.06580	4.2
70.89191	3.2
75.12807	2.8
79.92930	2.7
84.26607	3.0
84.96049	3.5
86.09673	4.3
86.53576	2.8
91.71387	7.4
98.97585	20.0
116.43926	3.1
116.98636	8.7
124.80022	3.1
140.00185	10.8
153.26575	3.6
158.99637	11.6
159.89032	4.2
168.94057	3.6
173.93079	3.5
177.00749	4.2
191.74660	3.6
200.02342	14.1
239.09517	6.7
242.03293	3.3
262.11185	7.2
263.09668	11.3
280.12180	4.9
281.10519	4.9
304.12302	14.6
350.45041	4.1
366.25406	4.0
383.13721	26.9
425.14774	35.4
467.15695	9.1
527.18811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	3.3
77.06892	1.3
83.24857	1.4
85.15158	1.3
86.09683	2.0
87.43555	1.4
97.11742	1.3
100.11240	2.6
107.04914	2.3
109.26105	1.4
113.27939	1.6
136.13203	1.4
148.74973	1.4
205.03770	1.9
242.05751	1.5
243.08896	1.8
313.20999	2.1
347.09424	3.2
421.22003	4.9
423.19870	2.0
465.20782	4.0
483.21988	8.7
527.20923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.9
62.91746	0.5
67.05494	3.8
68.12244	0.6
69.03413	2.8
70.06582	0.9
81.03425	0.9
85.02903	8.6
88.04012	0.8
95.04967	3.9
97.02882	2.4
109.02812	0.7
109.46839	0.6
113.81543	0.7
123.04422	100.0
127.03943	1.3
134.54283	0.7
137.05995	1.7
145.05005	0.8
149.00551	1.5
149.05968	5.0
155.01596	6.7
161.05972	1.2
163.02042	0.7
164.07050	0.9
169.03139	1.4
174.26877	0.7
179.01486	0.8
193.03215	1.2
198.06761	1.6
204.03912	0.9
226.06239	1.9
231.04718	1.0
235.04111	1.3
241.03073	0.9
243.06427	4.0
244.07301	26.0
259.04260	4.9
270.08780	1.6
277.05258	10.5
303.06848	11.5
331.06213	1.1
349.07327	6.7
366.10025	30.7
510.14069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03425	7.5
58.06308	2.5
58.06593	41.8
59.07370	12.1
60.08153	12.4
63.03277	0.9
67.05490	1.7
69.07042	1.1
74.18355	1.0
75.04460	5.6
79.05489	1.8
81.07056	2.4
84.08134	1.5
85.02901	4.2
87.04451	4.2
91.05486	4.4
93.07021	1.7
95.08581	1.7
98.06011	1.8
102.05526	1.7
102.60506	1.1
105.07016	1.6
107.08626	1.3
117.07024	1.4
119.08526	1.1
131.07042	1.6
131.08521	1.2
144.10204	9.9
161.34535	1.1
162.11250	4.6
173.71579	1.2
235.60980	1.1
236.14908	100.0
237.29602	1.1
321.84467	1.4
365.36768	1.3
474.32040	5.5
492.33096	42.4
493.33090	2.1
510.34265	30.6
511.34952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	12.5
61.41181	2.2
64.74821	2.4
67.12731	2.2
67.29779	2.5
79.65837	2.6
80.88480	2.6
84.96016	4.0
98.97575	60.3
104.52641	2.6
110.97595	5.5
112.99203	4.6
116.98621	24.3
128.98589	3.4
129.12173	2.8
131.00162	4.5
134.99709	3.2
140.00183	24.4
146.99670	3.1
158.01236	8.1
158.99626	31.1
161.95192	3.1
167.72487	3.2
170.01251	4.7
173.01151	5.2
177.00685	20.4
181.02806	5.6
200.02306	23.8
215.74753	3.0
219.01860	15.4
219.03682	3.0
229.11179	10.0
237.02864	12.1
239.09628	4.7
241.11122	13.2
242.03323	9.4
259.12177	10.8
260.04324	8.0
264.12766	6.5
265.11115	45.3
282.13901	16.3
283.11972	16.3
306.13721	22.3
307.12222	4.2
310.53708	3.4
324.67603	3.1
348.46228	3.5
385.15298	97.3
395.15228	3.4
403.16196	19.6
427.16351	100.0
445.17221	7.3
469.17395	36.5
476.03586	3.4
529.20050	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10737	4.3
56.05017	5.0
56.61610	5.3
56.71945	3.9
59.94709	4.1
65.63285	4.8
70.06590	27.9
72.08147	9.4
81.03395	13.8
84.04481	6.9
85.02891	31.1
86.09691	9.8
97.02879	14.8
99.04441	36.1
103.03955	32.7
119.08563	7.7
120.08077	11.7
123.08055	24.7
127.03918	45.7
135.08037	100.0
145.04939	24.7
145.10107	6.0
163.06050	13.9
165.09096	29.8
166.95396	5.9
214.11876	6.4
223.13280	29.4
289.97360	6.5
399.08850	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	529.386
Annotation	Ile Leu Arg Lys
Peak:m/z	Relative Intensity
53.57785	2.4
68.45675	2.7
90.08478	3.3
91.71021	4.2
106.99546	3.1
117.33493	3.4
146.31551	3.1
529.38562	100.0
530.38483	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.1
57.03425	8.2
57.07055	6.1
58.24324	3.0
67.05496	81.8
68.09103	3.6
69.03420	6.5
69.07047	11.0
71.04975	4.3
79.05486	18.0
81.03420	4.4
81.07048	100.0
85.02888	19.1
89.46905	3.6
91.05477	14.3
93.07030	31.1
93.19266	3.5
95.04975	5.6
95.08598	64.3
97.02938	7.9
105.07034	14.3
107.08575	21.5
109.02880	4.2
109.06513	4.3
109.10152	41.3
115.03909	4.7
117.07037	6.0
119.08576	9.5
121.10139	17.8
123.11700	19.0
127.03884	19.1
131.08600	11.0
133.10159	4.1
135.11696	13.6
137.13271	5.0
145.10091	7.3
147.11705	6.7
149.13278	7.6
171.11749	5.2
177.52556	3.7
180.08678	8.4
241.19588	3.9
289.25043	6.6
315.23248	12.9
333.24261	18.9
351.25235	15.5
397.41248	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	530.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	18.3
71.04218	8.6
81.07037	10.3
85.06557	11.6
87.04455	13.6
91.05498	28.6
133.10117	100.0
149.09639	17.2
153.09132	8.9
171.10228	13.9
189.11235	16.0
256.26315	43.2
257.26718	19.3
321.20309	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	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	96.9
58.63671	14.8
58.71128	12.7
71.08606	16.1
87.04436	45.8
89.06023	91.0
91.05481	18.9
93.07040	19.3
104.07083	35.0
104.57710	13.6
109.08968	14.4
121.06509	100.0
130.08646	25.0
133.08624	53.1
154.06377	17.1
165.09058	22.0
167.85812	14.2
177.05481	16.5
233.18936	20.1
288.14932	18.6
315.18024	90.3
369.40579	15.4
427.30463	64.0
530.36761	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	530.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75966	3.0
57.03426	7.1
57.07061	10.3
58.06594	44.0
59.07365	10.6
60.08146	11.2
66.65825	3.7
67.26407	3.5
68.25574	3.3
70.33681	3.1
71.08611	4.3
71.94217	3.2
72.22514	3.9
75.04463	4.2
81.07041	5.5
87.04453	10.1
91.71057	10.0
95.08563	4.3
105.07073	3.7
137.04289	4.4
144.10233	8.1
215.51534	3.6
236.14903	100.0
464.89304	4.9
512.42786	8.7
530.44244	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	530.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	17.7
57.03435	24.4
57.07067	42.3
62.54795	5.6
62.63210	5.7
63.01236	5.7
65.29467	6.3
67.05495	57.4
69.07080	20.1
71.04984	6.8
71.08635	26.3
81.07045	91.0
81.07465	6.9
83.08633	9.2
85.06557	21.0
85.10194	12.4
87.04482	15.7
89.06049	7.5
91.05524	7.8
93.07053	7.0
95.08594	100.0
95.09148	7.4
104.55947	7.3
109.10178	11.6
123.11709	16.2
147.11780	10.5
162.11581	7.2
165.79416	6.2
257.17456	73.7
313.27420	67.3
352.27100	8.9
495.40305	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	531.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
57.03423	3.5
59.04989	2.1
61.02914	3.8
66.05910	1.3
67.05494	2.6
69.03413	15.6
69.07043	2.6
70.06561	1.6
71.04990	5.6
73.02902	2.6
79.05498	2.4
81.03417	18.8
81.07041	7.4
85.02898	76.0
86.09709	2.2
87.04453	5.9
91.05473	4.0
93.07040	6.6
94.90956	1.7
95.04973	3.7
95.08606	6.4
97.02323	2.9
97.02895	30.8
97.06522	4.4
99.04449	55.9
103.03935	95.7
105.07029	6.6
107.08591	29.8
109.02864	20.0
109.06511	49.6
111.08123	1.7
119.08553	4.4
121.10136	19.9
123.08054	29.9
123.11715	6.2
125.05986	1.6
125.09661	8.1
127.03915	100.0
131.08562	4.7
135.11708	2.2
139.11165	3.1
143.20035	1.8
145.04947	51.8
145.10110	5.2
147.11688	23.5
149.09613	41.0
151.07536	36.7
156.09326	3.0
160.82602	1.7
163.06007	37.2
163.11217	2.8
165.12764	5.8
167.10635	10.6
168.03114	1.8
168.06612	2.3
169.04996	2.5
171.11681	5.0
179.14317	5.4
186.07654	4.5
187.05989	4.1
189.12811	9.9
205.06953	3.4
207.13797	41.9
225.14845	6.9
271.08215	3.7
307.10141	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.61384	3.2
67.05479	13.2
69.03416	13.0
70.06580	15.4
71.04993	5.4
72.08150	6.9
74.04602	3.9
74.45531	3.7
81.03413	12.0
81.07048	8.9
84.08152	4.9
85.02900	46.3
85.06548	4.3
86.09682	11.2
91.05468	8.0
93.07031	8.7
95.04972	5.2
95.08605	33.8
97.02877	19.4
99.04435	30.1
103.03941	48.8
105.07027	14.5
107.08587	38.2
109.02866	9.9
109.06523	8.4
109.10147	6.5
109.22686	3.7
119.08578	17.5
121.06504	7.0
121.10143	19.4
123.08083	15.6
127.03915	51.5
131.08565	7.3
137.09619	15.1
145.04987	20.5
145.10146	5.0
147.08040	9.1
147.11707	18.2
149.09610	62.3
149.13219	5.0
159.11682	6.6
161.13278	14.0
163.06026	13.4
165.09105	7.3
165.12767	8.5
167.10704	30.6
171.11734	7.8
174.10367	5.1
177.12775	19.5
181.12228	8.1
187.06120	5.3
189.12718	42.6
207.13783	100.0
225.14795	54.6
255.25543	4.4
257.72205	4.1
271.07788	5.4
356.49954	4.4
417.16565	6.9
553.95471	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	531.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
53.33253	1.9
55.05498	2.6
61.02906	2.4
67.05506	2.5
69.03417	11.4
69.07092	2.5
70.06579	5.3
71.04977	6.1
73.02905	3.6
79.56997	2.2
81.03407	12.7
81.07025	2.6
83.08575	2.6
85.02897	73.3
86.09707	6.5
89.79163	2.3
93.07027	3.1
97.02880	25.2
97.06541	4.8
99.04451	46.6
103.03935	78.8
105.07030	4.0
107.08599	7.2
109.02850	17.4
109.06496	10.0
119.08593	4.3
121.10080	4.0
123.08086	11.0
123.25444	2.3
125.05987	5.8
127.03912	100.0
131.08568	2.9
145.04953	45.1
147.08038	3.0
147.11728	4.1
149.09622	13.8
151.07564	7.6
163.06004	31.6
167.10687	3.1
186.07571	3.1
187.06062	5.7
189.12798	6.8
205.07060	2.9
207.13826	12.4
213.59569	2.3
225.14870	10.2
260.46347	2.5
271.08008	5.3
289.09103	4.9
307.10278	3.2
498.96542	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	531.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37008	1.1
64.12139	1.8
68.34171	1.0
109.60219	1.3
121.06490	2.8
133.10120	1.5
140.38654	1.5
159.10403	3.8
196.11211	18.1
197.11943	3.2
209.11983	7.6
210.12767	13.7
211.13539	72.7
266.15384	20.1
316.16986	3.5
318.18503	100.0
319.18808	2.4
482.61713	1.8
494.04803	1.7
529.28369	5.0
531.30078	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	531.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67239	1.7
55.05524	3.1
57.07070	2.9
58.29667	1.6
67.05512	5.8
69.07072	4.4
75.35727	1.6
81.07071	5.0
83.08638	3.5
87.04475	2.5
89.03963	3.0
89.06039	4.2
91.05507	1.9
92.54045	1.8
93.07056	3.4
95.04983	2.1
95.08654	6.9
100.35951	1.7
107.08586	2.1
109.10144	1.8
109.58706	1.7
117.03383	10.5
121.06547	3.8
121.10207	2.0
135.04462	2.0
136.45114	2.0
145.02867	23.9
149.06049	7.6
158.06026	3.3
177.05461	100.0
178.05927	2.3
186.05501	17.7
195.06464	9.3
232.89711	2.4
274.25555	2.2
337.27362	3.0
380.42023	2.4
386.26996	2.5
531.19080	6.8
531.37927	2.8
538.83655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71499	5.9
55.05503	20.8
57.03418	12.2
58.80824	6.2
66.68398	5.9
67.05493	79.7
68.83718	6.7
69.07050	12.8
69.34550	8.7
71.76441	6.5
72.48465	6.8
74.00446	6.2
79.05489	70.2
81.03426	8.5
81.07044	65.8
83.04936	14.0
91.05465	44.1
91.71606	8.4
93.07037	100.0
95.04968	15.9
95.08598	36.9
105.07037	30.4
107.04892	7.6
107.08591	16.6
109.10162	12.1
109.77010	7.4
117.07009	12.6
119.08604	23.1
121.10142	30.6
121.10934	8.8
129.07005	11.1
130.84491	7.7
132.87514	10.7
133.10123	17.6
135.11707	14.0
145.10152	10.3
147.11716	26.2
155.46396	9.1
171.11751	14.7
207.13853	9.7
215.18010	12.8
273.87506	8.4
281.17517	21.5
292.94156	8.7
307.22925	12.7
315.16019	9.2
358.27399	11.8
513.35828	44.6
531.38324	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86687	9.5
55.05498	14.4
57.03448	17.2
67.05495	60.7
67.38773	7.6
77.05703	10.3
79.05486	25.5
81.03429	15.2
81.07045	53.0
83.04958	11.5
87.04430	16.7
91.05471	100.0
91.71639	23.2
93.07042	42.6
95.04980	17.2
95.08602	30.7
105.07037	34.0
106.90888	10.3
107.08598	14.0
108.60046	10.0
112.36343	9.9
119.08617	11.0
121.10157	15.9
131.08557	19.5
133.10144	41.6
135.28842	12.4
140.29329	9.9
149.13467	9.8
161.09627	15.7
179.10695	12.3
182.76987	12.4
237.92441	11.7
253.14297	54.5
261.22025	13.5
335.26031	13.0
444.58969	11.9
531.38416	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	532.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33831	2.0
70.06580	17.3
72.08141	4.6
72.70883	2.2
78.26646	2.2
84.08131	7.1
85.02892	4.5
86.09702	9.5
99.04483	2.8
103.03948	4.6
103.43706	2.1
115.05491	2.1
120.08058	3.9
127.03955	5.6
129.10243	4.5
143.16905	2.1
145.05040	2.8
147.07864	2.4
176.23569	2.2
189.12633	2.9
204.06590	2.5
208.91794	2.2
222.87804	2.6
252.85080	2.2
286.17432	2.7
288.56653	3.0
299.05356	11.6
311.09042	4.0
313.07007	7.6
321.07684	7.4
324.06210	6.0
327.08789	5.4
338.10175	9.4
339.04410	4.8
339.08585	100.0
339.34265	2.8
356.11261	27.4
397.74307	2.3
441.79788	3.2
515.11707	5.0
532.14429	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06088	85.0
69.07066	48.5
81.07027	74.2
86.17886	48.4
91.05463	88.6
98.98461	62.0
102.52309	56.1
105.07017	100.0
109.06567	73.4
137.40257	56.6
140.11032	58.2
143.37103	51.8
153.89748	67.9
182.46365	55.5
195.71863	60.6
202.73918	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54050	0.5
53.44059	0.5
55.94540	0.5
56.04994	0.5
60.07862	0.6
60.08154	9.4
71.07366	3.4
74.25808	0.5
78.03343	0.5
86.09694	38.4
87.74211	0.6
87.94550	0.6
91.71697	0.5
98.98470	2.8
104.10745	4.3
105.07019	0.6
122.02932	0.5
124.99988	24.5
130.81320	0.7
131.08585	0.8
166.02655	0.9
171.19778	0.7
184.07324	100.0
185.07663	0.7
197.85159	0.5
276.43384	0.6
498.55084	0.8
532.30505	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69484	1.5
59.60619	1.4
60.07893	2.1
60.08155	19.9
60.65136	1.3
66.35004	1.4
67.05511	3.3
71.07344	8.0
71.13421	1.4
73.80316	1.3
79.05487	1.6
81.07033	1.6
86.09698	57.2
88.34297	1.6
93.07021	2.0
98.98463	2.8
104.10737	100.0
105.07067	2.0
124.99985	22.6
136.28580	2.1
140.18477	1.9
143.02112	1.9
183.23709	1.5
184.07336	75.2
184.35542	1.6
202.11227	1.7
261.65051	2.1
276.77466	1.8
279.19202	2.0
532.30267	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31953	3.1
54.15532	3.5
55.05495	12.6
61.02898	6.7
67.05492	86.2
68.54858	3.2
69.07052	16.0
79.05473	44.1
81.07049	100.0
83.08616	9.2
85.02915	5.9
91.05478	30.1
93.07035	66.1
95.04964	5.1
95.08587	64.1
97.02878	5.6
105.07027	28.6
105.07665	5.6
107.08587	43.7
109.10154	40.0
117.06958	8.4
119.08588	20.3
121.10127	39.0
122.11655	4.4
123.11682	17.8
124.05887	4.8
131.08575	20.6
133.10138	18.4
135.11694	31.4
137.13269	6.3
138.19707	4.1
145.10139	15.6
147.11714	15.4
149.13228	22.1
159.11691	12.2
161.13258	11.6
162.97266	4.2
163.14839	11.8
173.13261	13.7
177.16402	6.2
187.14847	10.7
243.20959	23.6
261.22116	89.6
263.34302	5.0
335.25919	12.2
353.26767	24.5
530.56622	5.2
545.64917	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13828	2.1
53.03953	2.2
55.05508	12.8
57.03433	7.7
61.02910	6.1
64.58846	2.0
65.03947	2.4
65.35995	1.9
67.05495	100.0
69.03446	2.8
69.07050	18.1
79.05486	42.4
79.05918	2.5
81.07047	99.5
83.04977	2.6
83.08608	13.1
85.02910	5.5
85.06545	4.4
91.05476	30.0
91.70998	5.5
93.07027	70.2
95.04990	5.8
95.08594	78.0
97.02845	2.5
97.06562	4.4
97.10211	5.0
99.08163	3.0
99.37689	2.3
105.07013	19.5
107.08585	38.4
109.10156	37.6
109.10860	2.9
113.09692	2.7
116.47692	2.5
117.07055	9.0
118.06492	2.3
119.08572	17.3
121.10139	34.9
123.11721	18.5
129.49432	3.1
131.08583	25.1
133.10133	14.9
135.11696	25.7
137.13283	7.9
139.11272	3.2
145.10127	13.2
147.11688	13.5
149.13232	22.4
159.11661	14.2
161.13268	14.5
162.73100	2.7
163.14767	15.6
173.13266	14.0
175.14879	3.9
177.16425	4.8
183.52066	2.6
187.14899	8.6
201.16377	3.8
219.17395	2.7
223.84555	2.9
233.22806	3.6
243.21036	29.7
261.22098	82.7
262.22336	4.0
279.23126	6.4
307.60767	3.2
335.25763	26.1
353.26773	22.6
501.76877	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	532.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72538	5.4
57.07070	100.0
57.13599	5.8
68.96994	5.5
87.04454	10.1
89.06025	88.2
91.05498	8.8
93.07049	13.8
95.33962	6.7
95.52692	6.0
103.05489	6.7
119.08595	8.0
121.06518	53.4
130.08696	21.5
133.08588	53.0
147.08058	10.5
165.09138	16.4
177.11201	33.8
197.97389	6.8
202.63806	10.3
209.11803	9.3
233.19106	23.6
277.21713	31.6
299.57440	7.6
321.24207	14.7
403.23410	26.7
466.32227	8.3
515.35730	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	533.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
62.90903	0.7
63.89739	0.7
70.06581	1.4
72.08152	0.8
80.15517	0.9
106.46272	0.8
114.67034	0.8
134.77937	0.9
136.06184	100.0
136.15205	0.8
210.38345	0.9
268.10406	25.2
268.13239	1.7
273.35916	1.0
515.19922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.4
55.05515	2.6
57.03442	3.4
67.05495	3.3
69.03410	12.1
70.06575	2.2
71.04996	5.1
73.02930	2.1
74.27763	2.3
79.63477	2.0
79.97157	2.2
81.03407	17.5
81.07045	5.5
83.08646	2.8
85.02900	80.2
85.46325	2.3
86.05207	2.2
87.83370	2.0
93.07036	3.2
95.04998	4.1
95.08618	4.7
97.02898	17.3
97.06558	11.3
99.04448	42.3
99.05011	2.8
101.18072	2.4
103.03936	99.8
105.07063	6.8
107.08606	5.3
109.02889	14.2
109.06525	16.4
109.10137	3.2
119.08595	3.6
121.10179	7.1
123.08089	3.0
123.66682	2.6
127.03911	100.0
130.22838	2.6
131.08679	2.8
133.10138	19.4
145.04951	50.5
147.11763	9.7
150.35472	2.5
153.09152	6.8
163.06001	42.9
163.14728	4.3
165.12854	4.2
173.13316	7.8
186.07727	4.5
187.06079	7.5
191.14276	13.5
205.07138	6.7
209.15379	19.7
227.16466	8.5
271.08246	3.0
289.09305	5.0
307.10291	8.5
442.07773	3.4
503.17267	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	533.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07761	20.7
55.01838	19.2
67.05488	86.4
71.28348	18.7
79.05494	56.9
81.07043	70.1
83.04978	33.4
91.05455	57.2
93.07034	100.0
95.04958	30.4
95.08600	40.0
100.71125	18.3
103.21418	18.3
105.07043	21.4
107.08595	25.7
111.04429	32.6
119.08591	32.0
121.10151	84.3
122.60390	19.2
133.10239	21.8
135.11702	22.8
145.10126	21.2
158.87021	20.4
163.11186	32.6
209.41121	21.5
293.22180	24.2
330.04172	21.8
351.28470	21.6
456.96286	21.8
471.30374	28.4
481.78226	24.4
533.34308	27.1
548.50269	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	534.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05498	2.5
55.05748	0.9
66.77384	0.9
69.03419	1.8
69.07069	8.0
70.06579	2.8
71.49001	1.1
74.97109	1.0
81.03391	2.8
81.07064	2.0
83.08620	2.7
84.08142	1.4
85.02894	10.8
86.09711	1.9
91.05467	3.2
91.71400	3.5
93.07035	1.5
94.51395	1.1
95.08603	3.6
97.02883	3.6
99.04424	9.3
99.05523	1.0
103.03937	12.5
105.07018	7.2
107.08611	1.9
109.02872	2.8
109.10064	1.5
117.96323	1.4
119.08570	38.1
120.08141	2.1
123.50124	1.3
127.03913	13.9
131.08612	1.5
133.10136	31.3
133.68279	1.0
139.72151	1.1
141.53387	1.0
145.04939	8.2
145.10101	1.7
147.11687	3.8
163.06003	4.2
175.14807	100.0
176.15219	1.6
224.99019	1.2
231.98199	1.2
302.30188	1.6
551.94897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44962	37.8
57.91895	36.8
63.93274	36.5
67.05505	88.3
69.07058	45.2
81.07044	69.3
95.08590	57.3
104.10760	89.4
109.10147	55.6
134.35562	43.0
184.07288	48.8
189.57491	53.8
263.23666	47.4
267.80060	48.1
312.04773	57.4
335.03436	52.8
337.27332	100.0
385.86530	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.4
56.45384	8.2
58.24208	9.1
59.67195	8.2
64.56474	9.0
67.05237	8.3
67.05504	100.0
69.07038	33.3
69.67663	9.4
78.06218	8.5
79.05503	22.6
81.07040	90.1
83.08614	26.1
85.55383	9.1
86.09678	25.9
91.05466	26.5
93.07030	38.8
95.08595	77.6
104.10722	32.7
105.47568	9.2
106.44186	10.0
107.08604	14.3
109.10147	40.4
121.10131	29.5
123.11750	23.0
135.11696	17.8
147.11681	11.7
161.13315	19.5
163.14851	19.7
175.14882	10.5
180.67659	10.0
184.07376	17.4
245.22704	55.4
263.23578	72.5
336.98370	10.9
337.27365	40.7
447.32208	12.1
511.73886	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35843	1.4
55.05524	1.7
55.90025	1.2
56.05040	1.4
56.20401	1.3
57.03419	7.3
58.06314	2.8
58.06593	46.0
59.07369	18.2
60.08149	12.3
66.56068	1.3
67.05495	7.0
67.34537	1.5
72.64077	1.4
75.04462	4.1
79.05485	3.5
81.07040	2.8
85.02901	2.4
87.04448	5.1
91.05473	8.0
93.07028	2.9
95.08589	2.7
98.59771	1.8
105.07117	1.8
110.02261	1.6
119.08549	2.5
131.07008	2.5
131.08582	2.5
144.10208	8.0
162.11259	5.8
166.80942	1.7
167.99820	1.8
236.14896	100.0
237.15421	1.7
505.46243	2.2
516.36627	18.2
534.37842	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15740	3.1
55.05514	8.7
55.80077	3.0
56.05044	8.3
57.07080	5.8
60.04524	4.1
65.41719	3.0
67.05508	15.6
69.07070	16.0
69.23444	4.1
74.51543	3.3
79.05507	9.6
81.07027	20.6
82.06589	8.1
83.08620	8.0
91.05485	9.9
91.71729	7.8
93.07047	8.9
94.06561	20.9
95.07385	10.9
95.08618	11.7
96.08133	6.6
105.07032	5.2
107.08604	6.3
121.10241	4.4
122.09725	3.8
127.82709	4.5
133.10223	4.7
188.06851	4.2
191.65739	4.1
240.22006	5.0
250.25333	7.2
262.25293	100.0
263.82840	4.7
272.25757	6.1
280.26443	12.0
308.76520	4.9
308.82700	4.2
356.74969	4.2
367.40619	6.0
411.11914	4.6
485.13904	4.6
516.47949	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	535.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59173	38.7
60.56701	40.7
73.52927	41.3
82.59872	42.4
90.36492	42.4
96.70923	44.4
170.87700	52.8
177.05458	68.5
222.57776	61.7
238.11391	59.7
249.26338	57.1
353.32974	51.1
383.78101	52.3
494.07913	70.2
535.10846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89549	7.4
59.29375	8.2
94.78975	8.9
99.99718	9.2
106.16952	8.3
114.01972	9.8
169.97783	8.9
177.79517	8.5
213.09584	9.0
347.11380	10.3
373.23517	100.0
535.28949	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13629	2.2
60.83968	2.2
64.88726	2.2
66.77911	2.5
69.57964	2.6
82.32888	2.2
89.03902	10.5
90.46937	2.2
91.06738	2.4
114.17805	2.8
117.03349	15.4
119.06417	2.8
134.38507	2.4
145.02820	29.8
147.69693	2.9
149.05946	6.5
158.06004	6.6
177.05457	100.0
177.07014	5.6
186.05489	21.8
202.00508	2.9
265.59433	3.2
384.33667	2.9
396.31424	3.5
535.28931	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	535.397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45841	2.9
54.95192	2.4
62.21188	3.7
71.08627	3.3
81.07032	4.3
95.08618	4.5
117.37107	4.3
120.02625	4.0
126.38955	4.9
151.59512	3.9
223.13104	9.3
279.15671	4.3
352.68826	4.1
532.36816	4.3
535.32025	8.3
535.39636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40401	1.3
51.75471	1.6
52.30322	1.2
55.83563	1.2
57.07069	11.1
63.62875	1.3
65.81947	1.7
73.14313	1.5
91.05466	30.2
93.07007	2.1
105.07010	12.6
107.08548	3.9
119.08580	19.2
121.06499	4.9
121.10143	41.5
133.06512	3.0
133.10100	18.6
145.10159	2.5
147.11658	27.0
163.11168	2.0
175.11176	18.0
181.77859	1.8
198.12750	30.5
230.04059	1.9
249.31036	2.0
283.16898	100.0
339.23157	69.1
357.87723	1.8
519.02692	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18695	3.0
57.03428	6.3
58.06588	52.1
59.07367	17.5
60.08152	19.9
61.89528	3.1
67.05511	6.4
74.44936	3.3
74.76168	3.8
75.04465	8.5
81.07060	4.5
87.04458	8.9
93.07032	4.7
117.32583	3.8
144.10229	16.9
215.33307	3.8
236.14911	100.0
237.31670	3.8
246.99883	4.2
364.99127	4.4
380.82077	4.5
433.04691	3.8
461.97131	4.3
483.84302	4.2
518.38275	16.6
536.39453	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66543	61.5
66.99184	69.8
68.13653	86.5
73.20071	66.2
81.30499	96.7
93.07081	70.2
145.51544	84.6
155.33318	80.3
269.53378	79.1
389.81409	85.4
418.79718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17150	2.1
53.72949	2.9
65.09770	2.3
89.86174	2.4
135.27827	3.1
241.09537	3.1
245.23926	3.1
272.26941	3.2
391.85056	4.2
537.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3034
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.69110	0.7
55.94974	0.9
87.97217	0.8
93.16939	0.9
114.95273	1.0
169.82880	1.2
193.13623	1.0
203.05258	1.4
345.26212	1.2
537.30316	100.0
538.30640	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	538.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.3
58.99584	7.2
74.00671	12.2
76.02207	33.6
83.06078	5.1
84.04493	66.9
85.04005	4.7
86.00639	8.3
89.20512	3.8
89.98534	4.9
99.01423	8.1
100.02219	7.9
102.05523	4.0
105.97879	5.1
107.87952	4.3
107.99416	7.5
121.06558	5.3
121.55785	3.9
127.00911	6.9
129.06622	5.9
130.05011	40.5
131.99362	49.2
140.42867	5.2
142.03221	11.0
144.01225	5.1
147.07626	10.9
149.68018	4.3
153.06534	6.1
155.08109	10.2
159.98868	12.0
177.01544	13.1
177.03194	7.9
181.06120	15.3
184.06093	9.2
185.03830	28.9
185.05470	7.4
199.07124	6.6
202.07961	5.0
211.02193	6.4
215.04771	4.6
216.03252	8.4
222.50200	4.7
231.04332	94.3
233.05965	6.7
235.02155	7.4
256.04779	4.4
263.01553	7.5
271.02026	13.0
289.03009	23.3
306.05734	60.0
317.02631	16.8
334.05188	100.0
409.08496	17.4
465.91483	5.2
538.12683	15.1
540.97516	5.4
542.76910	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	538.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54832	5.1
72.61310	4.7
73.04772	11.8
84.11023	4.7
86.09739	5.9
91.05784	28.7
91.71068	9.8
113.89601	6.7
114.07359	37.5
167.05618	21.3
190.07256	12.9
223.06305	62.5
225.04269	99.8
225.48276	6.5
227.02255	13.8
250.03853	8.9
251.26009	6.3
264.09161	14.2
267.00015	23.4
281.04929	9.8
283.03189	21.8
299.06183	100.0
322.07742	14.3
330.91635	7.8
357.61017	7.7
415.03693	9.1
462.87622	7.0
508.52185	7.3
560.25684	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02905	2.6
79.05490	5.3
83.83004	3.5
86.68722	2.8
91.05471	7.7
93.07036	6.2
94.06556	3.0
103.05400	4.4
106.06560	3.1
108.08134	6.3
118.06624	3.7
120.04491	11.2
120.08114	13.7
134.06024	4.3
136.07558	6.0
138.05539	6.4
146.06035	13.3
148.03987	5.6
148.07559	66.3
150.09157	7.7
162.05434	5.9
166.04988	14.6
166.08606	8.0
172.03934	9.3
174.05435	3.6
181.30951	3.1
190.05054	8.3
202.44418	3.4
204.06535	9.4
207.09146	3.1
211.08560	3.8
212.09439	4.9
222.08026	5.1
223.08665	3.3
224.09486	3.2
225.10239	6.1
236.09496	4.7
237.10262	7.4
238.10977	4.2
239.08000	3.7
239.11749	6.4
248.09270	3.8
249.10353	5.5
251.08093	5.8
251.11771	5.3
253.09779	6.6
255.11313	6.0
265.09686	12.8
279.11279	7.3
281.09265	4.3
281.12747	6.6
283.10669	4.8
285.12112	4.2
293.09293	7.6
307.10730	20.5
316.14706	4.1
323.10269	18.8
325.11557	7.6
331.70151	3.4
339.13351	16.2
351.10007	4.6
360.17426	4.2
388.16357	4.3
402.18271	3.4
446.16885	5.3
447.18155	7.6
460.18497	15.1
470.17215	6.2
488.18192	100.0
506.19275	10.4
520.20654	6.7
537.22516	4.7
538.23608	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	538.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20655	5.7
64.04677	6.6
70.06574	43.5
72.08154	10.7
86.09698	22.9
93.07034	17.9
94.06570	20.3
95.07333	15.0
96.08123	22.3
101.68641	7.9
102.05566	7.8
106.77959	8.2
108.08109	27.0
110.09673	40.7
116.04942	9.4
120.04398	14.0
120.08089	37.2
122.06000	8.1
136.07562	15.4
138.05452	11.4
138.09140	68.0
144.04449	16.8
148.07576	11.0
162.05515	14.3
166.08627	100.0
172.03883	77.2
190.05017	15.6
204.06534	94.6
237.10146	13.3
251.11789	14.8
263.11780	14.5
265.09888	9.8
279.11224	14.2
293.09122	20.1
325.11804	26.0
337.11813	22.0
341.11411	30.1
353.11292	18.1
357.14456	22.5
406.49139	9.2
439.64508	8.8
460.18561	13.4
488.17950	20.4
506.19321	36.1
519.01923	9.9
520.20636	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50723	2.1
64.49940	2.3
65.06661	2.4
70.06575	7.6
79.05479	3.4
80.53791	3.2
84.67500	2.7
87.62975	3.1
91.05473	2.6
93.07033	9.3
94.06551	15.2
95.07332	11.9
96.08136	23.0
103.05423	2.7
108.08106	16.4
109.17242	2.7
110.09671	43.6
116.04961	5.5
120.04458	8.1
120.08094	28.6
122.06034	5.6
124.07587	10.5
136.07620	10.6
138.05478	4.4
138.09125	65.6
144.04495	9.4
146.05988	8.8
148.07561	9.0
162.05493	4.5
166.04965	6.1
166.08626	100.0
172.03918	42.5
190.05003	15.1
204.06538	13.6
209.10548	3.1
237.10207	15.2
238.10892	3.7
251.08214	3.3
251.11812	8.5
255.11234	3.7
265.09570	18.4
267.11111	3.8
271.10864	5.1
273.12494	6.0
278.06476	3.8
279.11292	11.4
283.10703	6.4
293.09198	21.8
296.11563	3.4
297.12311	8.1
307.10577	3.6
311.10101	6.0
312.11118	3.8
313.11786	4.9
325.11761	17.0
335.10193	7.7
341.11377	25.7
353.11197	21.0
373.13992	4.9
381.29785	2.9
385.14194	5.9
386.00101	3.1
460.18365	4.1
462.98859	3.6
465.18723	7.6
478.19751	4.8
488.17975	10.9
506.19159	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	538.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08692	3.8
62.41772	4.3
66.10855	3.8
69.09468	4.4
70.06583	11.6
75.37985	5.0
79.05455	5.5
81.50926	5.2
83.62050	4.3
86.09709	5.7
91.70971	5.6
91.71482	19.5
93.07025	13.4
97.43148	4.0
108.08115	10.2
113.85119	5.2
120.04482	16.1
120.08111	19.8
122.09617	5.2
136.07547	5.5
139.62297	5.4
146.05994	15.9
148.03938	7.0
148.07570	68.0
150.09143	9.8
166.04997	20.7
166.08658	11.2
172.03883	12.8
188.03548	4.7
190.05103	7.1
225.10210	6.9
227.11914	5.6
237.10326	11.5
239.08180	7.5
239.11859	7.4
249.10248	5.7
251.08072	5.9
251.11855	8.6
255.11304	14.4
265.09778	10.8
267.11282	5.4
281.12756	12.0
293.09189	12.8
307.10867	23.8
323.10278	21.4
325.11649	8.0
339.13425	23.8
351.09680	9.9
370.96866	6.5
388.16428	7.1
400.16895	6.5
446.16788	8.8
447.18005	9.8
460.18536	19.1
470.16693	12.1
475.58331	5.9
488.18106	100.0
502.19772	9.1
506.18927	9.8
520.20972	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	538.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41573	2.0
55.01882	2.2
56.91566	2.2
64.37263	2.5
65.03930	5.6
70.06594	5.6
77.11894	2.6
79.05479	6.2
80.04989	3.3
83.38169	2.3
91.05475	12.1
92.05005	3.8
93.07024	19.9
94.06553	5.9
95.04974	6.1
103.05450	2.9
106.06573	4.8
107.03708	2.7
107.07348	6.7
108.08125	8.5
118.06567	4.5
120.04438	14.1
120.08097	34.5
122.06048	5.2
122.09650	4.3
130.06511	3.4
134.06007	6.3
136.07584	6.6
138.05502	10.1
138.09169	2.9
141.57584	2.8
142.43275	2.6
144.04457	8.1
146.06001	31.5
148.03922	4.8
148.07565	80.1
148.08749	5.1
150.09151	6.5
152.42114	2.9
160.03966	7.3
162.05534	7.7
166.05043	17.8
166.08655	13.6
172.03911	32.0
176.03525	2.9
190.05011	23.6
204.06529	59.3
209.10706	3.2
209.99414	3.2
210.47978	3.1
212.09358	4.8
213.14088	2.8
222.07863	3.2
223.12419	3.0
224.09442	4.5
225.10190	7.4
234.09056	3.1
236.09392	5.4
236.51207	3.4
237.10210	7.8
238.11038	4.1
239.08328	3.3
239.11882	3.1
249.10190	6.1
250.07280	3.5
251.08028	6.0
251.11757	8.5
252.12616	3.7
253.09622	6.9
253.13478	3.1
255.11241	9.0
257.91409	2.8
265.09705	11.1
267.11304	5.6
277.09866	3.7
279.11276	8.7
281.12784	34.5
283.14581	2.8
293.09232	5.0
296.11493	3.0
297.12277	4.8
307.10641	18.5
311.10449	3.1
311.13953	6.2
323.10254	20.2
325.11887	19.8
339.13391	100.0
351.09958	4.1
383.12387	3.2
415.15530	3.9
416.19675	11.6
418.18018	3.4
442.17599	6.6
446.16937	6.2
460.18713	36.4
474.20074	9.0
488.18225	52.7
492.21130	11.9
502.19724	5.8
520.20667	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	538.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82608	6.9
65.72594	6.8
70.06579	13.7
75.76408	7.7
79.94415	7.5
83.86842	7.6
85.15215	7.0
93.07007	16.5
94.06529	17.4
95.04929	9.8
95.07337	16.8
96.08113	35.3
108.08105	25.0
109.09056	8.9
110.09667	44.4
120.04496	11.4
120.08089	32.4
122.06068	10.4
123.12031	8.9
124.07565	10.0
128.79274	8.4
136.07552	12.4
138.09148	58.2
148.07544	25.2
166.08623	100.0
172.03970	39.3
190.04962	19.3
203.78391	9.1
204.06587	28.8
224.09566	12.4
237.10228	20.8
251.08142	12.5
263.09497	9.1
265.09686	24.8
278.06592	15.5
281.12750	9.9
283.10663	12.1
293.09219	19.1
307.10757	15.0
324.79190	8.9
325.11536	16.9
335.09915	10.0
341.11398	25.2
355.70145	11.7
358.37115	10.2
385.13983	9.6
404.22263	9.6
488.18149	33.8
506.19321	50.7
559.77429	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	538.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19547	4.6
56.96549	17.3
80.64738	4.7
86.09715	5.3
86.29665	4.5
93.58214	4.2
102.25028	5.5
104.10747	13.9
144.94740	5.9
154.94186	20.3
172.95172	28.1
177.95740	12.6
190.96284	10.0
192.57497	5.6
195.96860	22.9
210.54066	5.5
213.97911	8.4
218.98471	21.9
228.97729	6.9
233.98439	10.7
236.99524	6.1
251.99432	8.2
341.17822	31.7
362.13565	7.0
367.05371	5.7
368.45850	5.6
382.20477	7.8
477.17099	100.0
495.18246	12.2
500.99304	6.2
511.95547	6.2
518.19611	32.1
538.22406	7.3
557.87134	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	538.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81162	1.2
69.97441	1.3
73.15788	1.6
85.17592	1.4
91.05467	1.5
110.38494	1.4
150.09137	3.1
154.08641	5.0
160.11191	18.4
162.09180	1.9
164.07031	5.1
173.08369	3.0
178.12239	2.8
187.12257	2.2
188.10678	17.1
205.13353	5.0
206.11748	27.7
223.14400	100.0
303.21634	1.6
325.77170	1.4
538.19318	2.4
552.79700	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44342	2.7
53.51103	1.9
53.77437	2.1
56.87223	2.2
70.06568	7.8
76.53959	2.2
84.08123	2.9
86.09698	2.3
91.71437	7.0
93.33424	2.5
105.07092	2.5
105.37395	2.6
119.08604	6.4
133.10103	5.0
154.76591	2.8
157.31288	2.7
302.14832	2.9
347.09372	20.5
477.24741	6.3
521.23730	12.3
539.24567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37330	14.9
64.93980	14.5
67.38718	13.9
70.06596	80.1
74.58593	13.9
80.46707	13.2
82.15366	16.5
94.06554	72.0
100.78336	14.9
108.04473	27.5
118.84351	17.4
121.51382	15.4
122.06040	69.8
133.06070	20.2
134.58073	17.7
134.75664	15.0
136.07607	40.7
146.06013	25.3
147.87903	17.0
150.05487	35.7
168.06551	33.9
172.03912	86.8
174.05608	18.7
181.90900	17.1
190.05002	100.0
194.91286	15.5
204.06592	94.9
219.12212	17.7
245.47914	18.9
259.26608	20.7
278.49869	21.5
295.10788	69.7
313.11938	38.6
321.08691	40.1
323.10342	39.1
339.09818	71.9
341.11337	54.4
357.10495	24.5
373.14023	22.7
394.11893	18.1
464.18079	26.0
490.16278	38.8
508.17090	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37330	14.9
64.93980	14.5
67.38718	13.9
70.06596	80.1
74.58593	13.9
80.46707	13.2
82.15366	16.5
94.06554	72.0
100.78336	14.9
108.04473	27.5
118.84351	17.4
121.51382	15.4
122.06040	69.8
133.06070	20.2
134.58073	17.7
134.75664	15.0
136.07607	40.7
146.06013	25.3
147.87903	17.0
150.05487	35.7
168.06551	33.9
172.03912	86.8
174.05608	18.7
181.90900	17.1
190.05002	100.0
194.91286	15.5
204.06592	94.9
219.12212	17.7
245.47914	18.9
259.26608	20.7
278.49869	21.5
295.10788	69.7
313.11938	38.6
321.08691	40.1
323.10342	39.1
339.09818	71.9
341.11337	54.4
357.10495	24.5
373.14023	22.7
394.11893	18.1
464.18079	26.0
490.16278	38.8
508.17090	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25323	2.4
60.57821	2.6
67.75388	2.8
70.06573	8.3
71.53820	2.3
72.41513	2.2
86.09692	2.8
88.65785	2.5
94.06563	3.7
106.06561	9.9
108.08121	3.6
134.06007	100.0
136.07570	9.2
146.06003	4.0
149.05865	3.1
164.07045	62.0
165.97188	3.5
167.11443	3.1
202.88953	3.1
223.08746	4.4
225.10165	7.6
237.10202	11.4
238.10931	3.3
239.08156	7.6
241.09613	4.2
253.09712	13.8
255.11249	3.7
259.10855	5.0
265.09634	23.6
267.07681	6.5
267.11224	6.4
268.08759	4.2
281.09058	14.2
283.10776	12.8
293.09277	17.9
295.10812	13.7
299.10214	6.0
311.10226	9.2
321.08646	9.2
327.09598	14.3
339.09799	33.5
341.11267	8.8
344.14221	4.2
353.11401	4.9
359.12320	18.5
371.12326	15.4
386.15076	4.0
388.16147	3.3
416.16214	7.2
422.17245	4.7
444.15445	8.7
462.16772	23.0
472.14880	5.7
490.16101	51.0
504.17737	6.9
522.18835	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	540.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67247	8.6
58.99580	15.3
60.69275	8.6
63.82337	9.0
70.06582	52.8
76.02222	94.8
84.04479	20.6
90.64998	9.6
107.04932	100.0
112.24426	9.7
116.01685	28.3
131.25586	11.8
162.02200	31.0
179.04869	33.3
203.04852	27.2
308.09363	18.2
346.00363	14.7
393.14740	23.3
436.17755	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71563	1.5
51.31345	1.5
55.05505	3.2
59.04984	3.3
67.14207	1.9
70.02943	2.5
70.06572	5.3
71.08646	2.0
72.04505	5.7
73.02931	2.4
76.28843	1.6
81.03423	2.3
81.07047	14.3
83.06855	1.6
83.08612	2.9
85.02893	6.4
90.05548	67.9
95.04957	7.7
97.02870	2.8
98.02427	4.3
99.04462	3.7
99.08100	5.8
103.03951	8.3
109.06515	12.5
109.63098	1.8
116.03454	8.1
117.09129	2.0
123.08073	3.4
125.06052	2.1
127.03903	9.9
138.09128	10.4
149.09602	2.3
156.10190	2.9
163.06070	3.4
179.06345	1.8
198.11243	20.4
216.12325	12.6
234.13350	100.0
234.15730	5.0
325.10965	2.1
351.12198	2.5
458.36603	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57430	2.0
56.72937	2.2
59.99383	1.8
63.90203	2.2
67.60291	2.0
69.07061	6.7
70.02960	2.6
70.06583	100.0
70.11684	1.9
70.36392	2.2
72.08153	20.6
77.90069	1.9
84.08095	2.2
85.02904	2.9
86.09704	36.9
88.03995	15.0
95.86719	2.3
96.08072	2.2
98.25858	2.1
116.07079	18.2
118.87118	2.3
124.07521	2.8
134.06003	4.4
141.10219	7.0
150.05432	2.2
156.10170	9.6
164.07097	3.8
169.13362	24.7
185.09163	5.1
196.06071	10.9
197.12843	5.5
201.12340	36.2
211.10760	6.4
213.08672	6.1
229.11809	11.7
247.54651	3.0
284.16129	2.6
293.09140	3.3
311.41846	2.6
312.15445	4.4
321.08929	3.0
344.14563	10.2
346.24374	2.8
354.16592	12.1
441.19803	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	540.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38969	3.9
54.62443	3.4
69.07055	7.8
70.02946	5.7
70.06579	100.0
72.08146	21.9
84.08135	5.8
86.09700	40.0
87.08747	3.7
88.03973	17.9
91.71651	8.9
101.27213	5.1
101.58784	4.3
116.07069	17.8
134.06017	6.2
156.10208	11.2
164.07109	5.7
169.13351	22.7
185.09270	6.7
196.06041	10.9
197.12865	6.6
201.12305	41.4
229.11829	6.1
284.16180	5.4
344.14642	10.9
354.16583	11.1
441.19879	12.4
461.16977	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	540.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69060	1.1
69.07047	1.7
70.06581	100.0
72.08153	10.8
79.06271	1.2
86.09694	19.8
115.38920	1.4
116.07078	6.6
125.07123	1.6
164.07036	1.8
169.13350	20.6
173.56799	1.6
196.06023	2.3
197.12848	11.5
201.12369	2.5
203.35811	1.5
229.11757	4.0
312.15573	3.4
312.19000	3.1
326.17148	5.1
369.48727	1.6
397.24368	2.6
425.23688	6.8
505.75922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.6
57.07061	7.4
57.31905	1.2
57.47071	1.1
59.05006	1.4
62.56269	1.4
63.02381	1.3
65.30022	1.4
66.49129	1.6
68.68253	1.5
70.06586	2.8
71.08631	3.8
84.56948	1.6
85.10170	3.2
85.52312	1.4
88.07598	2.9
89.03915	7.4
89.06023	3.3
93.34401	1.5
95.43889	1.5
101.38626	1.7
117.03378	21.9
130.06564	1.8
133.08577	2.0
134.03667	2.7
135.04460	2.2
136.13509	1.5
145.02841	33.4
145.64163	1.5
149.05954	9.9
158.05977	7.8
177.05455	100.0
186.05495	32.5
187.47878	1.6
226.62283	1.7
256.26324	3.3
278.57465	1.9
311.29343	3.1
505.31622	25.6
540.53058	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	540.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13111	1.0
55.05507	1.4
57.07062	5.2
69.07057	1.5
70.06582	3.5
71.08621	4.4
73.06525	1.4
81.07028	1.3
85.10185	2.1
88.07612	2.8
89.03905	8.3
89.06028	19.3
102.09163	2.1
117.03378	19.4
130.08675	3.8
133.08594	11.6
134.03641	1.5
135.04468	1.8
138.33450	1.2
145.02835	32.0
149.05957	8.2
158.06084	7.8
177.05460	100.0
177.11252	3.0
178.05698	1.8
186.05510	23.8
188.11205	1.5
188.90388	1.2
212.26247	1.5
234.73454	1.3
237.78322	1.5
256.26364	5.3
259.18411	1.3
283.26303	2.2
311.29364	3.8
327.20071	7.1
349.59683	1.4
412.37561	1.6
474.91638	1.4
537.97687	1.8
540.53259	8.9
545.04553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50028	0.9
57.07056	4.3
59.12216	0.9
62.93083	0.8
62.96440	0.8
69.07072	1.2
69.46166	1.0
71.08616	3.3
76.47234	0.9
83.08603	1.5
85.10168	2.1
87.04441	1.0
88.07614	2.6
89.03915	8.1
89.06024	19.6
91.05458	1.1
91.71079	1.6
102.09120	1.1
102.15979	1.0
105.64447	0.9
107.07108	1.0
111.03551	0.9
117.03376	21.1
130.08640	4.4
133.08607	10.9
135.04410	2.0
145.02847	30.9
149.05977	11.1
158.06024	4.2
177.05458	100.0
177.11215	4.1
186.05493	29.4
222.13203	1.2
234.50908	1.2
256.26349	3.9
311.29382	4.1
327.20142	7.5
329.73557	1.2
389.35406	1.1
394.51355	1.2
460.90692	1.5
505.31497	7.0
540.53497	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	540.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.6
57.07061	7.4
57.31905	1.2
57.47071	1.1
59.05006	1.4
62.56269	1.4
63.02381	1.3
65.30022	1.4
66.49129	1.6
68.68253	1.5
70.06586	2.8
71.08631	3.8
84.56948	1.6
85.10170	3.2
85.52312	1.4
88.07598	2.9
89.03915	7.4
89.06023	3.3
93.34401	1.5
95.43889	1.5
101.38626	1.7
117.03378	21.9
130.06564	1.8
133.08577	2.0
134.03667	2.7
135.04460	2.2
136.13509	1.5
145.02841	33.4
145.64163	1.5
149.05954	9.9
158.05977	7.8
177.05455	100.0
186.05495	32.5
187.47878	1.6
226.62283	1.7
256.26324	3.3
278.57465	1.9
311.29343	3.1
505.31622	25.6
540.53058	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	540.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.5
55.72214	7.0
57.07054	10.1
60.08145	32.6
67.04225	10.3
68.05000	11.2
69.07037	15.4
77.97124	7.2
80.35961	7.1
87.72923	6.8
89.06876	6.7
92.84116	8.3
97.10169	11.0
107.06079	51.1
117.25507	7.4
118.62648	9.7
125.01701	25.1
126.02522	20.5
127.03242	54.7
129.04803	22.9
133.39963	8.4
141.04747	11.8
169.04300	46.1
228.11679	32.2
356.15674	8.8
419.30841	13.9
496.39337	100.0
541.59784	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	540.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	30.2
57.07273	2.8
62.27908	3.4
63.32710	3.1
67.05515	4.9
69.07076	5.5
70.06604	10.6
71.08624	32.0
74.09323	4.0
83.08633	5.9
85.10191	11.0
88.07618	9.0
89.06025	100.0
97.10170	5.8
102.09212	8.1
114.38811	3.5
117.03426	5.7
126.50024	4.1
130.08667	22.6
133.08614	51.0
145.02924	10.5
177.05437	31.5
177.11180	22.5
186.05617	8.3
233.51006	3.8
256.26474	15.5
263.69055	4.5
284.29477	5.4
311.29617	14.3
327.20111	24.7
434.65689	4.7
540.53253	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	541.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87405	1.1
77.00089	1.2
79.36626	1.2
88.07619	3.4
91.10426	1.3
100.22150	1.3
139.95122	1.7
192.30850	1.5
203.05322	2.5
322.45825	1.8
379.11777	1.8
379.20920	2.2
471.50613	1.8
541.26141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67377	4.3
60.60010	4.2
70.21655	4.8
94.52659	6.4
138.79079	6.8
138.95424	5.9
144.82101	5.6
153.89624	4.8
175.86131	6.7
191.20541	5.3
198.78378	6.2
223.75708	5.9
224.76660	6.3
232.99405	5.9
239.16255	5.5
246.84251	5.7
330.94684	6.0
449.35748	6.5
541.26239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26097	1.0
69.32201	1.2
91.05470	1.8
93.07037	4.4
95.04967	2.1
101.97905	1.1
103.05468	3.3
121.06500	99.9
160.59193	1.1
166.12268	100.0
179.82805	1.5
349.69720	1.3
498.45123	1.3
540.03589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.5
57.07049	24.4
67.05496	91.2
69.07055	37.0
70.06589	14.5
75.32945	10.7
75.96228	12.9
79.05479	60.3
81.07038	100.0
83.08620	29.0
88.62551	12.8
89.06030	16.0
91.05486	97.3
93.07034	69.6
95.04961	14.5
95.08591	60.9
105.07064	41.8
107.08573	28.7
109.10135	19.5
117.06992	26.2
119.08555	48.3
129.07037	23.0
133.10155	22.9
145.10187	27.8
147.11682	19.9
159.11755	14.3
161.13260	22.8
171.11676	22.6
199.14880	14.5
212.61240	14.2
236.97453	14.5
541.39093	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44273	13.7
51.58732	14.2
52.17022	14.1
52.80978	14.4
53.29307	18.7
56.39705	16.0
56.63271	16.7
56.80971	15.0
63.69037	16.8
66.67664	15.7
70.06571	55.2
86.09699	32.9
86.38536	18.4
136.07619	25.9
148.88060	18.0
152.81999	19.9
154.84369	20.7
168.46275	22.9
287.05667	27.8
314.96478	21.3
361.02344	84.5
366.03058	25.7
384.03827	100.0
407.05606	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91100	3.3
70.06572	4.3
73.38956	3.7
75.83488	3.3
89.03923	3.6
89.55700	4.2
94.06560	71.0
94.60612	3.1
103.59861	3.9
106.06542	10.5
108.04503	4.7
116.04993	11.8
122.06017	46.9
134.06009	49.9
138.05629	4.2
144.04401	19.9
146.06024	16.9
150.05489	14.2
160.03951	11.1
164.07054	40.1
167.50017	3.3
172.03917	55.9
173.04900	4.3
174.05473	12.1
190.04974	75.5
191.05548	4.3
197.41711	4.1
204.06555	49.1
237.10213	4.9
265.09589	6.9
267.11417	4.8
295.10779	19.9
299.10263	9.1
300.18851	4.0
311.10327	6.1
313.11826	5.4
323.10236	99.4
329.11279	15.3
341.11285	47.4
355.29037	4.5
368.31180	5.4
449.19693	4.8
450.16409	9.2
492.17664	100.0
493.18387	4.5
506.19400	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	542.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53838	2.6
65.03938	2.8
70.06579	6.8
72.08147	6.0
79.05465	4.0
80.05028	3.4
84.08118	4.3
86.09703	3.2
91.05458	5.7
91.71212	3.9
93.07051	12.0
94.06538	5.5
95.04955	4.7
108.08099	9.1
120.08088	22.5
122.09733	4.1
136.07594	4.9
138.05516	5.8
139.14609	4.2
146.06020	9.5
148.07585	33.2
150.09091	6.7
155.86696	3.7
160.03978	3.9
166.04997	4.1
197.10783	4.0
223.08794	5.5
225.10162	7.3
237.10207	10.5
239.08287	5.3
251.08127	7.7
252.08963	8.6
253.09723	14.2
265.09537	19.4
269.09262	4.7
279.07626	5.9
281.09210	13.3
281.12399	3.8
293.09143	11.9
301.11932	4.6
309.12192	6.7
315.34418	4.4
343.13303	5.9
358.15479	14.8
371.12701	6.0
385.13989	4.0
400.16656	25.0
428.15945	55.4
428.21460	6.3
430.17642	6.5
446.17087	46.3
456.14941	4.7
474.16650	40.7
492.17734	7.5
499.27615	3.9
506.19147	100.0
524.20605	5.3
539.32397	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16173	2.6
63.67549	3.0
65.03981	3.0
70.06599	9.8
80.67117	3.4
83.31100	3.5
85.02911	3.2
86.09715	6.0
89.03976	3.6
91.71056	4.2
94.06557	67.5
99.83405	3.4
100.71326	4.1
106.06591	7.2
108.04455	17.6
116.05022	13.3
117.77118	3.7
122.06030	54.2
134.05994	24.1
135.79683	3.6
144.04486	17.4
146.06032	20.2
150.05571	16.2
160.03964	8.3
164.07077	20.8
168.06622	16.5
172.03932	54.1
172.05232	4.2
174.05499	23.6
190.04993	65.5
191.05698	6.7
203.78348	4.6
204.06541	41.0
204.08250	4.6
206.08202	11.3
224.09471	3.8
235.08673	4.9
237.10316	5.9
265.09967	5.0
267.11368	6.2
280.08475	4.4
293.09314	4.8
295.10913	15.3
313.11969	5.4
323.10251	100.0
329.11414	7.9
341.11316	58.9
359.12732	6.2
450.16333	4.4
492.17624	97.8
510.18759	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	542.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21515	10.6
61.24462	8.2
69.07015	11.0
74.22712	8.8
81.07056	10.1
84.04498	9.8
91.05501	18.5
93.07021	14.4
95.08602	12.6
102.52538	8.9
105.07024	26.8
107.08606	26.2
109.10133	12.7
119.08541	21.3
121.10146	27.4
125.04197	11.4
131.08553	17.9
145.10153	18.8
147.11696	38.7
159.11722	10.9
177.03308	13.9
200.03384	10.2
201.16454	15.6
203.16202	17.0
203.17926	100.0
222.46814	10.2
235.15137	21.6
309.57419	12.3
345.68594	12.6
363.64398	12.2
363.69348	12.5
374.05164	11.3
415.66336	11.0
543.20544	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	542.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	18.2
57.03419	13.2
57.90348	4.5
62.80154	5.5
65.11797	5.2
67.05499	50.9
69.07045	23.5
71.07362	14.5
79.05489	6.5
80.13066	5.0
81.07048	56.4
83.08617	17.1
86.09692	91.1
89.70431	6.0
91.05493	8.5
93.07036	12.1
95.08596	24.3
105.06963	7.1
107.08607	8.3
109.10146	12.6
123.11697	6.3
124.77237	5.4
124.99945	5.7
146.98172	100.0
170.12090	5.4
188.00858	16.3
337.27228	26.0
359.25522	5.9
439.28256	12.3
455.27661	59.2
483.24792	74.7
503.47836	7.2
506.81143	6.8
542.33179	63.5
559.62769	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	542.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.0
56.42276	0.4
58.06586	0.4
60.07870	0.6
60.08155	10.7
67.05491	0.6
71.07364	5.0
76.67105	0.4
86.09697	45.7
91.05457	0.8
98.98451	3.0
104.10725	3.8
112.81245	0.4
115.73689	0.4
119.84222	0.4
124.99994	25.1
142.02606	0.7
166.02591	0.8
184.07330	100.0
212.82558	0.4
264.31134	0.5
393.16263	0.5
403.09369	0.5
405.67099	0.5
524.31158	0.6
542.32074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86564	0.7
56.05036	2.1
58.06609	1.5
60.08157	22.0
60.08455	1.2
67.05509	2.0
71.07363	9.4
79.05521	1.4
81.07063	1.3
86.09697	59.5
91.05495	3.4
93.07056	1.3
98.98482	3.7
104.10735	100.0
105.11089	1.7
119.08659	1.0
124.99989	27.8
129.06903	0.9
149.06073	2.1
166.02733	1.0
184.07338	76.6
341.10211	1.5
407.20038	1.1
461.46750	1.1
467.51178	1.1
524.31335	3.5
542.32288	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	542.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	18.5
57.03428	15.3
60.13379	5.9
62.42818	5.4
64.33070	4.9
67.05496	44.4
69.07057	22.9
71.07372	11.6
72.56563	5.4
79.05467	10.6
81.07045	45.7
83.08607	11.8
86.09704	79.2
93.07037	15.1
95.08592	30.9
97.10185	7.8
104.10741	14.0
105.07030	6.6
109.10160	8.3
138.77673	5.6
140.31490	5.8
146.98187	89.8
158.29428	6.4
188.00870	14.0
334.48389	7.3
337.27277	19.9
439.27780	19.2
455.27625	100.0
483.24860	71.3
542.33844	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	51.0
66.55344	4.8
71.08633	31.4
78.26987	5.7
85.10165	21.5
89.06019	100.0
91.70987	9.3
97.10188	8.5
117.09072	8.6
122.96468	6.6
130.08652	32.4
131.02547	5.7
133.08597	35.2
177.11269	22.8
225.96695	6.7
240.23137	9.0
243.23161	8.9
253.70564	8.2
288.85266	7.0
312.75195	7.4
314.29883	6.1
525.39825	8.0
535.75067	7.1
543.24792	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	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02682	3.2
63.37808	4.5
71.78967	4.3
83.16776	3.8
91.71058	7.1
108.94904	4.6
122.27045	5.5
130.87209	3.9
154.19890	4.6
262.72540	5.8
356.71188	5.0
381.07907	19.2
517.70630	6.3
543.13123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
54.93795	1.7
57.95592	1.7
64.12914	1.8
69.03401	6.1
70.06567	1.9
81.03413	9.7
85.02892	25.2
86.09682	2.3
97.02881	9.0
99.04450	14.8
103.03946	14.5
109.02856	7.2
119.08573	2.5
127.03916	21.1
139.07501	2.7
145.04950	6.4
147.08035	88.0
153.30103	2.3
189.09090	91.5
206.63708	2.0
207.10141	100.0
211.09813	2.2
237.11188	82.9
237.13588	4.4
253.15407	2.2
312.66089	2.0
341.19818	2.3
354.79556	2.1
480.56189	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	543.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.9
60.10200	9.3
67.05493	35.4
69.07053	20.0
70.06609	15.0
76.02217	25.7
79.05455	15.6
81.07047	42.8
83.04959	9.8
83.08627	9.8
84.04492	100.0
85.67041	8.5
91.05469	21.6
93.07038	44.6
95.04932	13.4
95.08602	34.2
105.00116	11.0
105.07048	26.3
107.04956	15.8
107.08598	16.3
109.10149	16.2
119.08605	18.5
121.06499	21.3
121.10127	10.7
122.02718	99.5
130.05019	34.5
131.08583	26.3
133.10143	22.8
142.03192	17.3
145.10190	24.0
147.11618	17.8
159.08105	10.4
159.11705	10.8
167.64798	9.8
186.05128	11.6
232.31531	12.9
234.04366	12.6
242.26891	9.9
251.06938	93.2
275.20029	98.0
293.21106	82.7
475.25378	12.7
479.06100	15.9
543.27216	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.0
60.63182	6.3
62.47863	8.2
66.97301	7.6
67.05489	53.9
69.07047	21.7
79.05485	22.9
81.07043	100.0
83.08563	8.1
84.04488	23.0
91.05484	25.8
93.07026	20.9
95.04970	12.7
95.08595	28.5
95.79313	6.2
97.06539	8.0
101.04929	7.1
105.07039	30.5
107.04948	17.8
107.08601	24.1
109.06491	36.7
114.03767	8.8
119.08565	25.5
121.10146	21.1
123.11710	17.1
125.06948	6.9
130.04980	11.8
131.08565	17.1
133.10161	24.1
139.27303	8.6
147.11656	17.4
149.09549	11.1
159.11555	8.5
163.11301	8.6
257.19040	12.7
275.09058	9.0
275.19968	83.9
293.21033	17.9
304.63379	9.1
344.38120	8.0
360.23187	9.0
396.22070	32.5
414.23169	33.5
418.33688	10.0
543.27344	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	544.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12194	6.7
55.60313	10.2
58.69246	7.5
58.99572	8.1
69.54827	7.5
70.06555	8.7
76.02222	100.0
80.35125	9.3
84.04479	29.3
89.21396	8.8
107.08557	10.1
116.01674	18.5
131.90039	10.0
144.01141	24.1
162.02231	39.9
179.04816	85.7
189.73418	9.7
237.14861	44.5
239.22064	10.6
243.92252	9.6
308.09192	11.5
397.17538	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	544.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
55.05503	3.5
58.99573	13.4
63.13443	2.5
67.05489	3.5
67.70648	2.6
69.07057	7.5
70.06567	4.8
75.16922	3.1
76.02222	100.0
76.03994	5.6
79.05457	6.8
81.07036	8.9
83.06112	3.7
84.04492	20.9
87.62241	3.1
91.05483	6.9
91.71710	3.3
93.07018	9.4
95.08589	4.7
105.07018	6.8
107.04965	3.9
107.08595	4.1
109.06536	4.6
110.23314	3.4
116.01672	28.4
117.06979	3.4
119.08508	5.5
121.06488	22.9
123.08074	7.5
129.97351	3.1
130.04973	4.9
131.08604	8.0
135.08061	10.7
136.49945	3.7
142.03232	4.8
144.01152	13.3
151.07498	7.3
157.10162	5.0
159.11685	7.4
162.02200	49.3
163.07582	4.4
177.12794	5.1
179.04837	98.3
183.11583	4.0
201.12587	6.5
219.13736	5.6
225.09158	10.3
233.05913	10.8
235.13370	9.9
237.14870	28.9
308.09128	16.4
312.16379	11.4
347.12878	7.9
397.17963	7.0
532.97937	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	544.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
53.07404	3.2
55.05490	13.7
55.20909	3.8
57.03413	18.5
62.28849	3.7
65.03949	4.0
65.76126	4.2
67.05495	79.8
69.07059	11.2
76.56348	4.1
79.05484	48.9
81.07042	44.3
85.06522	5.1
85.17065	4.6
88.03979	17.0
91.05471	85.6
93.07032	52.5
95.04945	15.9
95.08598	44.5
97.06512	5.9
98.98473	16.3
105.07040	39.0
107.08598	19.6
109.10146	5.7
115.05484	4.0
117.07006	26.5
119.08563	31.4
121.10144	15.2
129.05479	14.2
129.06934	8.4
131.08563	21.6
133.10136	12.4
135.11690	7.4
135.91870	4.4
145.10149	12.3
159.11697	10.8
173.13213	6.7
201.16360	10.0
219.46384	4.8
222.10287	4.5
245.85873	6.2
282.50452	6.1
300.87659	5.4
359.25787	100.0
377.58243	5.4
467.38702	4.9
565.06116	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	544.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84959	0.9
56.05031	1.0
61.34188	1.0
67.47462	1.0
68.32768	1.0
69.07057	5.4
70.06608	4.9
72.08154	1.8
76.19373	0.9
84.04504	7.0
84.08147	3.8
86.09698	100.0
87.10030	1.2
90.82132	1.0
91.71748	1.3
92.06372	0.9
96.04485	1.3
102.05552	2.6
120.08138	1.1
122.66637	1.2
129.10292	2.0
132.10197	13.1
132.11038	1.3
143.11867	2.2
169.06165	1.3
189.12358	3.2
199.18042	12.3
211.82062	1.8
215.13763	1.0
217.06895	1.1
227.17473	7.7
243.13438	1.8
268.90439	1.2
282.14630	1.6
300.15512	6.8
318.16608	5.1
356.21841	3.0
544.33240	1.4
570.02600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	10.8
71.07368	10.7
77.20179	4.2
86.09699	51.1
98.98462	5.1
104.10721	31.5
113.34281	4.3
124.99984	26.0
125.18253	4.8
133.69009	4.5
179.99146	4.9
184.07329	100.0
282.11011	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	544.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86619	0.5
53.85908	0.4
56.05021	0.9
56.69973	0.5
57.32839	0.5
58.06589	1.0
60.07864	1.2
60.08153	21.2
67.05486	2.0
69.07046	0.8
71.07361	9.2
74.20286	0.5
79.05480	1.6
81.07038	1.7
86.09694	58.2
86.27898	0.6
91.05470	2.9
93.07034	1.5
95.08582	0.9
98.98455	3.7
104.10732	100.0
105.07066	1.0
105.11065	1.1
111.20879	0.6
119.08542	0.9
120.18831	0.6
120.56806	0.6
121.48392	0.6
124.99989	28.6
128.53235	0.6
131.08496	0.7
137.74471	0.7
166.02655	1.3
184.07326	77.8
225.93695	0.7
240.81488	0.6
262.40497	0.7
308.91461	0.6
374.97134	0.7
526.32813	3.8
544.33960	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	544.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66017	0.4
56.05004	1.3
58.06580	0.4
60.08155	9.1
61.47842	0.4
71.07364	4.8
81.07032	0.5
86.09697	42.0
93.07039	0.6
98.98454	3.4
104.10738	4.0
124.99991	22.8
125.00918	1.1
166.02599	0.8
184.07329	100.0
185.07629	0.7
321.31693	0.5
356.20706	0.5
381.30365	0.6
428.00385	0.5
526.33356	0.9
544.34015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91737	19.4
56.96566	23.5
58.11552	16.8
70.06578	85.8
74.80318	21.1
86.09711	61.3
95.91177	20.0
102.36871	20.1
105.57343	23.8
129.58797	22.3
137.57922	24.8
174.03279	22.3
203.71875	30.1
237.93149	23.8
345.03006	56.3
350.03250	45.5
355.11298	26.8
368.04553	100.0
391.06088	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	3.8
70.06583	32.2
72.08150	15.3
81.07046	11.5
84.08137	6.9
85.08457	3.5
86.09698	22.6
87.00172	4.2
91.05482	5.6
93.07037	12.8
105.07079	3.6
107.08597	22.4
113.96407	6.6
119.08578	7.2
121.10146	21.4
123.11697	17.5
132.95892	6.5
135.11685	4.0
149.13213	4.7
154.99051	4.5
155.97441	13.5
174.96898	4.6
181.75558	4.2
191.05165	45.6
193.03076	4.4
197.00029	7.5
198.96899	5.8
209.06311	16.2
211.04230	10.7
227.07336	4.7
232.08038	5.2
235.77744	3.9
239.07259	22.0
241.05168	10.1
257.08347	32.0
258.00687	10.3
262.08875	10.2
277.00024	5.8
280.09927	100.0
281.10516	4.5
299.09488	6.4
300.01752	10.2
309.80594	4.3
310.91351	4.4
321.12680	4.9
322.11154	10.8
374.13382	4.6
401.12552	40.3
421.39532	4.4
434.87271	3.9
443.13715	36.3
485.14783	13.8
545.16473	43.9
565.59589	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.9
55.24041	10.5
55.28252	9.6
59.91706	10.6
70.06596	21.0
74.46863	10.0
77.79709	9.6
81.03397	17.5
81.07037	21.2
85.02911	23.0
86.09737	18.4
91.05502	22.6
96.39534	11.3
96.41319	10.0
99.04478	16.8
105.07080	11.1
109.02934	15.6
123.04547	14.4
127.03957	20.1
127.35760	12.7
135.26805	13.4
137.06000	27.1
145.05109	15.4
151.07535	100.0
165.09184	50.3
204.70308	13.3
283.09689	20.6
309.11334	33.2
323.12772	13.1
347.12631	27.3
365.13773	62.6
383.15161	47.2
545.28925	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	545.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56092	5.2
53.59249	4.0
62.66537	4.6
69.37546	5.5
69.83522	4.7
70.06577	26.8
76.26274	4.5
84.08114	5.5
85.02922	5.3
86.09690	14.3
91.70959	6.1
92.31828	5.4
104.16370	4.7
108.40096	4.7
119.02856	4.9
131.19019	6.1
135.69498	5.3
183.90475	6.4
347.09323	8.8
451.19611	7.3
513.19586	46.1
545.22095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51015	4.3
55.05500	5.3
60.02325	4.5
61.12441	4.6
69.35333	5.1
75.61729	4.4
77.87344	4.8
91.71723	5.5
92.62870	5.1
123.24927	4.8
124.02414	4.9
133.27341	5.3
137.35435	5.9
176.36275	5.4
185.60432	6.4
225.33800	6.0
250.74744	6.0
263.17184	6.2
542.90405	6.2
545.30786	100.0
545.39880	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	545.3083
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
63.09763	3.8
88.57206	4.5
93.98000	3.6
116.06779	5.1
129.47282	4.0
135.82307	4.9
142.42001	3.8
145.06639	4.3
157.05879	4.3
190.87932	4.6
400.44370	4.7
520.43463	4.7
545.30994	100.0
545.39996	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	545.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55953	1.9
55.05508	2.2
55.67930	2.1
63.70156	2.0
67.05500	4.7
69.07079	7.3
76.56664	2.5
79.05521	2.5
79.25462	2.2
81.07048	17.5
93.07051	6.2
95.08625	11.3
99.89693	2.6
105.07067	4.9
107.08599	6.8
109.10196	9.3
110.88016	2.6
121.10186	9.9
123.11742	5.0
133.10141	3.9
135.11719	3.9
137.13316	4.0
147.11693	4.5
149.13306	4.5
149.37317	2.5
163.14934	4.0
174.27034	2.5
187.14787	2.7
195.68257	2.9
216.09325	3.0
271.24194	3.2
273.25821	2.7
545.30920	100.0
545.40045	21.1
545.50983	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	545.3084
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
59.57821	1.3
63.86542	1.3
129.70413	1.6
350.21924	1.7
545.30859	100.0
545.38879	3.4
546.30634	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	545.3085
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
63.75307	2.0
65.43022	1.7
88.16827	1.8
90.09911	1.9
90.36674	2.2
98.86842	2.0
127.57136	2.1
164.72743	2.1
351.25116	8.7
423.01416	2.7
496.21985	2.4
545.30878	100.0
546.31171	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	546.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34304	0.6
61.01147	1.1
62.85353	0.6
70.06577	2.3
71.65379	0.6
71.81201	0.7
71.93394	0.7
72.04489	2.2
78.03771	2.6
84.04505	1.0
86.09696	1.9
88.02187	1.1
90.38297	0.8
91.05466	6.5
98.02395	1.0
102.03753	3.2
106.42336	0.8
114.03731	1.0
119.04929	21.3
130.03058	0.9
131.06371	1.7
132.04765	3.5
142.08661	1.3
147.04401	100.0
149.07437	11.6
175.05397	1.3
218.08118	10.3
261.12637	4.5
263.39813	0.8
266.90106	0.8
272.14294	0.8
295.11050	15.9
315.64136	0.7
366.85312	1.0
399.45740	0.9
407.16193	2.8
416.13022	14.1
440.12408	0.8
528.18549	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	546.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52958	0.6
61.01141	1.2
61.12316	0.6
61.58015	0.5
66.60378	0.6
70.06569	1.3
72.04503	2.2
78.03777	2.3
79.56038	0.6
84.08041	0.6
86.09663	0.8
88.02187	1.3
91.05459	5.2
91.70972	0.7
95.04971	0.7
102.03767	3.3
106.82645	0.6
114.03735	1.9
119.04930	19.7
124.07565	0.9
131.06383	1.3
132.04784	1.5
142.08606	2.1
147.04398	100.0
149.07419	12.6
175.05374	1.4
184.09784	0.7
191.55206	0.7
218.08122	11.2
233.99892	0.6
261.12646	4.4
295.11060	13.9
295.14191	1.3
313.88242	0.7
407.16351	1.8
416.13052	14.0
500.38068	0.7
528.18311	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	546.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.7
59.81263	3.7
71.87791	4.1
72.08146	100.0
84.04469	12.5
84.28237	3.8
86.09696	84.0
102.05570	23.1
155.08138	15.4
160.72076	5.1
160.73505	4.9
173.09224	31.1
183.07648	12.9
185.16534	7.7
196.71924	5.0
201.08723	42.9
213.15906	7.4
224.47105	4.7
243.69540	4.9
247.12860	17.1
253.24902	5.9
287.26276	4.9
300.15497	24.6
320.36795	5.9
464.57489	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.2
55.05495	3.9
57.03425	7.5
57.07084	3.0
67.05491	14.0
69.07047	15.8
71.08634	7.6
75.12717	2.8
75.79357	3.0
79.05479	9.3
81.07042	24.4
83.08626	5.7
91.05485	7.3
93.07031	14.0
95.08585	16.9
98.98459	7.8
105.07011	12.6
107.08576	17.2
109.06501	12.6
109.10190	5.6
118.66624	3.0
118.90870	3.1
119.08572	16.7
121.10126	6.3
123.08081	16.7
123.11700	3.8
131.08609	5.9
133.10144	13.3
135.08061	13.6
145.10052	4.2
147.11670	7.4
149.09610	6.3
149.13216	4.5
175.14827	8.7
177.12709	4.9
179.14284	34.0
205.15800	3.5
289.21533	7.4
325.28329	3.4
331.26294	14.3
349.27414	7.8
405.29959	100.0
405.35168	6.4
435.02728	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	546.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.0
60.66318	8.8
67.05483	15.7
69.07057	11.5
71.08623	9.0
74.71480	8.5
81.07033	27.6
93.07038	15.5
95.08600	13.1
105.07059	10.6
107.08575	24.3
119.08511	9.9
119.21681	10.0
121.10135	12.4
123.08069	29.9
133.10138	15.0
135.08047	14.4
147.11635	10.1
179.14346	35.6
180.16801	10.0
288.78674	11.4
331.26428	16.8
349.27045	11.8
405.29770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.0
58.06606	2.0
59.23873	0.8
59.99707	0.7
60.08155	21.2
60.08455	1.2
66.13211	0.6
67.05514	3.2
67.07288	0.8
71.07363	7.1
71.36683	0.7
71.88741	0.9
79.05523	1.0
81.07061	1.6
86.09697	58.9
87.37867	1.1
91.71123	0.8
92.41440	0.8
95.08606	1.3
98.36333	0.8
98.98448	4.6
104.10735	100.0
105.07079	0.9
119.20489	0.8
124.99991	26.9
184.07327	80.1
258.11044	1.1
262.88870	0.9
296.83182	0.9
359.06357	1.0
522.29877	1.0
528.34613	3.4
546.35541	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	546.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
56.57790	0.5
60.08157	10.9
69.07027	0.8
71.07365	4.2
81.07055	0.9
82.49493	0.6
86.09698	45.8
95.08578	0.6
98.98438	2.2
104.10699	3.0
124.99996	23.0
149.75412	0.7
166.02612	1.0
184.07332	100.0
245.28348	0.6
305.16318	0.6
546.35352	1.3
569.41602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	32.5
71.08612	60.3
80.89505	14.4
85.10162	23.4
87.04485	22.1
89.06028	100.0
121.06490	40.2
123.74021	16.5
124.57851	17.0
133.08582	52.3
146.48412	19.2
165.09137	22.8
177.11214	37.2
194.53564	16.9
230.01346	16.8
247.20656	17.9
291.23187	25.4
403.23502	23.0
529.37360	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	547.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77993	0.9
54.06509	1.1
71.92733	1.1
75.50388	1.2
100.61972	1.3
115.05488	1.3
117.05753	1.5
117.07026	2.2
118.06536	18.8
121.17982	1.2
130.06609	1.6
132.08070	5.2
142.06415	1.9
143.07332	2.2
144.08066	15.1
146.06001	63.8
151.10081	1.4
159.09189	6.9
170.05998	3.6
188.07056	100.0
205.09711	41.2
225.69012	1.3
241.32475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97874	4.3
69.03416	7.8
70.31219	5.7
71.04984	6.7
73.28575	5.0
80.08133	5.6
81.03408	16.7
85.02897	47.9
95.04961	9.7
95.08659	6.5
97.02889	17.0
99.04453	33.1
103.03943	50.8
107.08585	34.9
109.02881	11.7
111.80756	5.1
121.10173	6.7
123.08053	100.0
125.09628	24.5
127.03891	49.4
131.51172	5.8
145.04971	20.9
149.09601	32.8
151.07663	7.0
163.06056	17.5
167.10661	7.1
189.12743	6.8
225.14873	82.3
235.13263	7.2
249.14859	13.5
548.29443	6.5
551.96698	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	548.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	24.2
69.07065	21.0
69.42278	19.0
70.60777	16.8
79.05441	26.9
80.04936	19.5
81.07047	53.6
86.09696	38.3
91.05463	24.2
96.55345	20.2
104.10718	51.8
105.07022	37.2
121.03795	19.7
132.76830	19.6
184.07355	42.0
241.16748	23.5
269.50745	27.1
280.33835	21.3
283.02347	21.5
382.01102	24.5
382.98291	23.3
426.08243	26.1
500.63159	22.5
548.32343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91370	1.5
55.05489	7.7
57.03419	7.3
57.07053	5.0
67.05492	9.2
69.07058	13.0
71.08626	6.2
73.26778	1.6
78.60873	1.7
79.05463	4.6
79.07920	1.7
81.07039	16.9
83.08601	5.9
85.06522	1.9
85.74261	1.6
89.06078	1.9
91.05465	3.8
93.07039	12.0
95.08591	16.3
97.06493	2.0
98.98442	3.2
99.08068	2.0
105.07026	7.9
107.08577	16.0
109.06528	7.7
109.10150	7.7
111.08059	2.5
119.08562	4.6
121.10091	11.3
123.08052	20.0
123.11639	2.6
133.10123	2.8
135.11690	5.5
145.10120	2.7
149.13245	4.1
167.14336	3.6
177.16400	5.7
179.14291	19.0
277.21564	6.5
333.27780	19.9
351.29062	6.7
407.31534	100.0
463.31000	2.0
505.29144	3.9
565.79187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00710	1.5
56.05025	1.6
60.08151	21.2
63.93811	1.6
64.04102	1.5
67.05488	4.8
71.07368	9.7
71.44582	1.4
75.33989	1.5
78.48580	1.5
81.07002	2.7
85.87600	1.7
86.09170	3.7
86.09695	60.5
95.08550	2.0
98.98443	4.4
102.87984	1.7
104.10735	100.0
124.99987	29.5
135.08107	1.8
150.77490	1.9
152.79373	1.6
184.07320	76.7
206.69067	2.0
209.19583	1.9
530.36145	3.7
548.37146	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	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.7
56.67301	2.2
64.79995	2.2
67.20662	1.8
68.53853	2.3
70.06582	100.0
71.06924	9.6
72.07748	2.5
72.08148	42.4
73.08470	3.0
73.94343	2.4
74.06063	4.7
79.59313	2.5
80.34933	2.2
81.03404	4.9
81.07050	6.1
83.04962	2.6
84.08132	16.1
84.59724	2.2
85.02888	20.0
86.09702	89.2
87.10011	13.0
90.05547	15.0
93.07024	5.3
95.04953	12.3
97.02876	8.1
98.06057	7.9
99.04466	9.3
99.06414	3.0
102.16398	3.1
103.03928	22.7
105.07043	3.2
107.08573	6.2
109.02854	4.6
109.06528	8.9
109.10152	3.5
121.10149	4.3
123.08073	3.0
127.03920	20.1
129.10245	9.1
133.10124	14.3
145.04974	10.5
153.09189	3.5
163.06044	9.8
173.13292	8.9
191.14302	11.5
501.36005	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	550.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94366	2.5
60.07895	2.2
60.08152	17.5
61.42163	2.5
63.74535	2.5
66.51720	2.5
71.07358	8.2
78.55012	2.9
80.43951	2.4
86.09692	52.6
104.10732	100.0
104.11404	6.2
104.35658	2.7
124.99972	25.3
127.47607	2.9
164.91641	2.9
184.07326	76.4
210.63266	3.2
224.13350	2.8
226.51859	3.3
532.37842	4.2
550.38629	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	550.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07383	4.8
57.07064	13.3
59.21597	5.2
61.69584	5.1
70.06604	20.4
73.73808	5.9
74.30378	6.0
88.07655	28.0
102.09200	14.4
105.07088	5.6
120.09396	6.0
144.72597	6.5
186.12497	6.2
219.17514	7.5
256.26303	100.0
259.17004	8.4
262.12338	6.8
275.97250	6.4
314.02545	7.6
372.36618	6.3
424.70914	7.1
429.20154	7.7
485.74554	7.4
522.77472	7.1
532.43750	21.9
550.44501	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	551.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77904	8.7
68.78232	7.3
70.06588	13.8
70.47756	7.4
74.90437	7.9
84.04524	8.3
86.09698	11.5
91.70882	9.1
107.04945	40.9
183.06476	12.9
190.99738	8.8
196.31093	8.7
199.07605	15.8
211.07513	100.0
327.10172	19.2
335.64716	11.1
345.11209	71.4
381.13510	13.8
479.14777	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20476	10.2
69.03418	9.9
73.92405	9.4
81.03423	13.2
85.02885	81.9
86.76165	8.8
99.04455	41.1
103.03925	98.5
105.07026	15.6
109.02885	28.5
112.93215	9.9
114.54714	11.6
118.13681	8.5
121.06500	100.0
127.03902	52.1
129.31029	11.2
135.08029	73.3
145.04965	41.5
155.79285	10.0
163.06038	10.7
164.86111	12.0
220.97055	10.9
247.08043	18.3
250.80098	11.2
256.13959	10.7
311.12689	25.9
335.12753	13.3
353.13800	27.6
364.09879	11.5
448.70892	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	551.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34549	1.0
57.99969	1.1
63.52972	1.0
84.08097	1.0
90.19315	1.1
95.39404	1.1
184.02818	2.1
252.21550	1.3
265.12250	2.6
283.13336	5.4
284.11713	2.5
289.12106	2.2
306.14926	4.2
309.11380	4.2
332.12872	2.3
341.18954	2.1
356.16342	1.4
389.22018	4.0
407.23337	11.7
425.24344	9.0
473.27948	5.4
491.29010	100.0
492.29160	2.4
537.82532	1.5
551.30890	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	551.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00797	63.1
59.86403	58.0
61.55699	64.7
69.81496	64.5
77.31713	63.8
136.00572	77.7
140.37305	88.1
181.68230	81.6
269.93201	76.6
276.40384	82.8
312.95230	87.3
451.64520	79.6
463.77408	81.7
476.09634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69216	3.7
53.76068	4.3
57.40354	3.7
70.06576	5.4
93.07017	5.7
113.56508	4.6
120.04403	5.4
120.08091	8.9
137.08472	5.0
148.07582	21.0
154.97734	5.8
166.08562	8.0
191.25760	5.5
208.20381	5.4
225.10257	6.5
237.10217	9.9
249.10023	9.5
251.08043	6.0
251.11877	7.1
253.09737	10.6
265.09763	8.2
270.58228	6.1
271.10724	6.2
278.10605	10.6
283.10773	13.9
295.10693	10.7
311.10306	7.8
327.13217	12.0
330.80411	7.8
339.13303	41.1
354.11823	7.7
367.13022	10.3
446.16605	7.2
470.17285	7.6
474.20096	21.6
502.19730	52.4
520.20782	100.0
552.23560	9.8
554.66119	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	552.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06209	1.7
55.61112	1.8
70.06654	2.1
90.51061	2.1
93.07053	3.6
94.06554	4.8
95.07349	3.2
96.08147	9.1
105.90047	2.1
108.08150	8.3
110.09663	12.0
120.04517	6.8
120.08145	8.3
122.06136	2.1
136.07643	6.7
137.57353	2.1
138.09154	18.7
148.07610	3.5
150.09230	2.5
150.66463	2.0
166.08676	11.9
200.59633	2.7
204.06769	3.3
216.59283	2.7
223.12309	2.5
225.10097	4.6
229.05678	2.2
231.42833	2.6
235.08643	3.5
237.10368	8.9
239.08240	3.3
239.11909	5.2
241.09732	2.8
249.10280	4.5
250.11206	2.6
251.08180	4.8
251.11864	6.1
253.09882	6.9
261.10391	4.0
263.11871	4.2
265.09903	9.4
266.10608	3.4
267.11230	5.0
277.09625	3.5
278.10516	3.2
279.07892	6.0
279.11383	12.0
283.10886	8.2
287.13895	2.8
289.09784	7.2
293.13004	8.3
294.10178	5.0
296.11676	2.5
310.12967	3.3
311.10355	5.3
311.13745	3.4
326.12805	7.0
327.13437	9.3
335.10251	11.3
339.13370	63.9
353.11230	4.9
354.12216	5.2
355.12918	12.5
367.12811	35.3
367.17227	2.8
488.18152	8.9
492.21219	3.4
517.71826	2.4
520.20856	100.0
552.23199	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	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03266	4.5
56.37655	5.6
62.29481	5.5
64.39149	4.6
70.06586	8.9
71.72437	4.4
84.08160	5.5
91.05466	5.6
93.07014	6.7
94.06558	6.1
97.74909	5.6
98.89854	6.2
120.04391	7.0
120.08132	7.5
122.24264	5.9
148.07587	23.3
152.38084	5.7
237.10310	9.1
251.11806	6.6
253.09811	7.7
256.87039	6.3
265.09656	8.6
267.11188	8.6
279.11319	7.5
283.10687	12.0
295.10751	9.5
299.63617	8.1
311.10135	8.3
325.11975	6.1
327.13120	6.3
339.13293	42.2
354.11978	10.0
358.15912	5.7
367.13055	16.2
387.48099	6.7
429.16672	6.6
446.16913	7.5
465.17633	6.4
470.16861	7.3
474.20578	28.1
502.19754	56.1
520.20764	100.0
552.23132	12.3
552.31226	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	552.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96368	1.7
91.05486	3.1
93.07023	7.7
95.04895	1.9
103.05462	4.3
121.06499	95.2
128.08409	1.6
166.12257	100.0
242.92462	2.0
269.07834	1.7
302.01346	1.9
377.10693	2.0
394.25891	1.8
494.08566	2.2
536.65637	2.2
576.00018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	2.0
72.08147	1.8
79.70675	1.2
83.06104	4.3
86.02671	1.3
86.09688	2.9
88.30312	1.5
93.04545	3.5
95.06058	1.7
99.34374	1.4
107.47567	1.3
110.07159	100.0
125.76096	1.5
136.36934	1.7
171.90988	1.6
251.11398	21.6
261.46548	1.9
273.85846	1.5
364.19772	10.4
463.26459	3.1
552.31061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4022
Annotation	Butanoyl PAF
Peak:m/z	Relative Intensity
57.10876	1.5
60.08152	9.1
71.07349	2.9
78.54270	2.3
78.76575	1.9
86.09698	36.9
90.25262	1.7
91.71655	2.8
98.51604	1.7
98.98474	2.0
103.15321	1.7
104.10725	3.3
118.08355	1.9
124.99993	20.6
126.05047	1.8
160.60381	1.8
178.87364	2.0
184.07333	100.0
274.75467	1.9
283.74075	2.3
286.36856	2.1
326.87299	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	552.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72144	2.1
57.07054	4.2
60.08154	21.6
60.21437	2.0
71.07362	8.9
72.70129	2.1
86.09700	60.3
87.31896	2.4
95.08594	2.7
97.50533	2.3
98.98427	3.4
104.10741	100.0
125.00008	26.6
176.87732	4.5
181.39247	2.6
184.07327	80.7
355.68182	3.4
369.21124	2.9
534.38684	7.1
552.40405	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	552.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01970	6.0
51.51805	5.4
56.93853	5.5
58.05573	6.8
60.08163	19.3
61.45097	5.7
67.52869	6.6
71.07362	9.7
86.09702	49.7
104.10730	100.0
125.00048	25.0
137.32745	7.0
178.07814	7.8
184.07333	73.0
552.41211	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	552.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14658	2.5
52.74258	2.2
55.05494	9.1
56.05019	7.7
57.07060	5.7
60.04512	5.5
67.05492	20.3
69.07056	14.0
79.05480	9.8
80.04995	3.8
81.05811	3.1
81.07045	18.2
82.06565	14.5
83.08598	9.3
86.08632	2.8
91.05473	10.2
93.07030	16.1
94.06561	23.0
95.04915	3.2
95.07333	14.2
95.08591	18.3
96.08155	6.5
97.10191	3.4
105.07027	6.7
107.08595	6.6
108.08096	4.3
111.66798	3.2
111.98512	3.5
119.08560	6.3
121.10138	10.2
122.09676	3.6
123.11674	3.3
133.10152	5.7
135.11699	4.4
161.13161	3.3
177.56868	4.0
232.64690	3.2
233.22841	5.4
233.80960	3.8
245.22731	5.4
250.25371	11.5
262.25250	100.0
263.25684	3.5
280.26337	7.5
285.34564	3.5
516.47717	10.7
534.48431	4.5
563.05603	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	553.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14219	9.5
61.93184	9.6
69.04723	10.3
101.60896	10.9
110.09023	9.8
120.30604	10.5
122.13041	10.7
127.25478	10.0
141.23541	11.5
177.05560	13.9
180.25061	10.1
405.11716	18.2
413.11279	16.6
428.13345	41.4
500.15271	12.8
511.15793	13.3
534.17633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07986	3.0
55.13441	2.8
56.96348	3.4
56.96562	39.4
66.83051	2.6
68.28664	3.0
78.93847	3.9
84.96017	4.1
97.99144	3.8
98.97577	35.1
115.00679	11.2
116.98640	12.3
131.88550	4.2
133.01735	7.5
140.00229	13.2
144.66801	4.2
149.59679	4.4
156.03308	7.5
158.99644	6.0
177.00734	4.6
187.77313	4.2
207.06940	5.3
209.04210	3.7
231.06868	4.2
247.10059	12.6
265.11060	10.9
270.11694	8.9
272.09503	6.0
276.03961	4.1
288.12903	9.8
289.11060	100.0
301.11063	4.8
303.12775	5.3
307.12051	8.4
330.13760	26.3
331.11969	26.0
349.13153	7.6
361.13232	11.1
375.23419	3.9
409.15472	12.6
451.16269	15.1
493.17349	11.7
553.20221	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	47.2
70.06576	6.4
97.99214	6.3
98.97581	32.9
115.00702	12.9
116.98614	15.1
120.52108	5.3
131.19366	4.7
133.01706	8.2
134.99637	7.0
135.18687	4.6
140.00201	20.9
147.83676	4.7
156.03365	11.2
158.01260	13.0
181.02933	7.0
216.70964	5.2
224.78389	5.5
247.09976	6.0
265.11136	13.7
270.11575	12.4
288.12857	11.5
289.11060	100.0
307.12155	15.5
330.13730	29.5
331.12399	16.3
349.13312	7.7
361.13269	8.4
409.15408	21.4
451.16409	10.7
493.17719	8.4
507.82788	5.2
553.20306	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	553.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	46.6
58.83684	4.2
72.29307	4.4
75.21251	5.0
98.97622	23.8
115.00731	10.2
116.98663	15.7
127.08944	5.8
133.01765	8.8
134.99719	9.2
140.00252	13.7
142.17972	5.4
156.03378	12.4
158.01289	9.2
181.02896	7.5
229.64578	5.8
270.11746	12.8
288.12775	11.3
289.11078	100.0
292.84296	5.5
303.12772	9.0
307.12262	15.8
330.13739	36.1
331.11996	31.5
332.58066	7.6
349.13297	9.3
361.13794	6.6
409.15491	17.7
411.71521	6.1
451.16541	20.8
493.17407	14.3
543.29974	5.8
553.20172	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93642	1.7
51.42567	1.5
56.78115	1.3
63.75228	1.5
70.06577	4.7
76.07150	1.6
79.38087	1.9
83.97549	1.9
84.04484	1.9
84.08137	3.1
86.09690	2.7
91.71691	4.6
95.04960	2.7
100.84849	1.7
107.04949	100.0
121.36499	2.0
123.04424	2.4
130.50104	2.2
137.05989	4.5
149.00499	1.9
171.06601	3.7
183.06549	10.4
256.60260	2.2
259.09610	16.9
277.10709	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	553.225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17731	4.2
70.06580	7.6
101.98166	4.6
115.82935	4.7
117.05310	4.3
187.46854	5.2
353.15323	5.5
409.17920	6.2
491.22397	14.6
553.22491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2773
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.84495	11.2
60.18332	11.2
75.62756	11.8
77.69157	12.2
81.25388	12.4
90.88423	13.4
162.39459	12.3
165.09938	13.4
183.56927	13.0
241.79002	13.2
322.69785	14.7
411.45255	16.6
534.15771	21.6
553.27588	100.0
563.27271	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	553.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29926	2.3
65.53683	2.3
73.44195	2.3
89.03930	8.4
117.03365	20.9
142.73557	3.5
145.02838	33.3
149.06039	5.2
158.06021	9.2
176.90332	3.2
177.05455	100.0
184.07364	7.7
186.05478	26.5
285.21793	3.2
324.72043	3.5
417.20441	3.5
454.70685	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	553.3519
Annotation	CHEBI:69729
Peak:m/z	Relative Intensity
53.30236	4.5
57.82625	4.5
60.08157	59.1
65.45028	3.9
68.21839	5.1
70.06232	8.8
70.06581	100.0
76.37002	4.9
91.71432	5.6
109.09438	5.0
112.39532	4.7
116.06340	9.6
116.07081	74.3
155.42664	4.9
175.14404	29.2
275.35461	5.9
305.86301	5.1
535.34021	21.1
553.35315	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	554.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17476	9.4
58.06588	24.8
69.97537	12.9
70.06577	34.8
70.56499	9.8
84.08118	14.6
86.09695	39.1
94.06585	16.5
95.12309	13.3
106.06550	15.2
122.06049	14.6
134.06009	81.8
136.07562	26.2
138.05502	19.5
164.07080	51.5
172.03955	50.8
190.04901	29.4
199.36485	14.3
204.06506	32.3
220.16640	13.2
224.09740	14.3
265.09454	13.4
278.06610	17.3
312.11032	18.8
313.11826	21.9
323.10104	21.0
341.11331	26.4
352.02310	15.1
388.37766	16.0
421.86697	15.6
476.18527	21.4
504.17593	100.0
579.44788	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	554.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71132	1.9
65.03953	2.8
70.06586	4.0
73.96833	2.5
75.01631	2.6
79.36170	2.7
80.08474	2.3
84.92374	2.3
90.56313	2.3
91.71559	3.6
94.06564	21.8
96.38814	2.3
106.06557	12.8
108.08114	6.8
110.06017	2.7
116.04961	9.1
120.04469	12.8
120.08134	4.3
122.06008	14.8
134.06010	88.8
136.07590	8.8
138.05495	9.1
144.04449	14.2
146.06033	16.3
148.07599	2.8
150.05475	7.9
152.30229	3.0
162.05495	6.7
164.07057	68.2
164.08365	5.1
166.04984	10.7
169.36136	2.9
172.03915	51.0
174.05560	3.7
190.05009	29.7
204.06525	27.7
212.09480	4.6
213.10216	3.2
216.06555	4.9
223.08823	3.2
224.09532	4.5
225.10281	8.7
235.08775	3.4
236.09590	4.6
237.10277	18.8
239.08221	7.5
239.11798	7.8
241.09784	6.0
245.13000	3.1
251.08162	6.0
251.11766	8.2
252.08939	7.4
253.09735	11.6
255.11240	4.1
265.09741	21.3
267.11255	8.4
269.12805	3.6
271.10815	9.0
278.06650	9.2
279.11316	8.8
280.08481	5.1
281.09232	3.8
283.10785	9.6
293.09180	21.2
295.10995	5.0
297.12326	7.7
299.10300	6.2
307.10779	7.6
309.12244	5.3
312.11035	5.9
313.11771	10.8
323.10345	24.6
325.11829	11.1
335.10245	9.9
340.10510	4.5
341.11374	30.8
353.11389	20.9
355.13107	6.3
385.14072	4.3
463.17719	7.2
476.18521	13.4
486.16620	6.3
504.17618	100.0
536.19983	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	554.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06341	5.4
58.06592	53.0
69.07051	6.9
70.06579	59.3
70.51801	3.8
74.06063	18.2
84.04495	16.1
84.08132	62.4
86.09688	73.1
87.05582	5.0
87.10043	6.0
94.06559	20.8
100.59365	4.1
100.71735	4.6
101.07106	7.7
106.06556	14.8
109.25487	4.1
114.80667	4.2
116.04942	4.9
116.67391	3.8
118.07958	4.0
119.08175	9.7
120.04458	13.0
120.08098	4.4
122.06013	16.1
122.80916	4.0
129.10234	28.1
133.06036	7.3
134.05992	84.9
134.06931	7.8
136.07521	12.2
138.05505	12.8
144.04427	13.0
146.06029	15.7
148.07552	4.4
150.05559	4.6
150.92654	4.9
162.05367	5.1
164.07066	60.9
166.05000	12.5
172.03900	54.5
174.32265	4.2
178.05098	5.1
183.14868	8.1
190.04977	23.7
204.06494	26.8
212.09555	5.7
216.06604	5.7
224.09375	5.4
225.10414	8.3
232.29134	5.4
237.10239	12.1
246.80569	4.8
251.11845	6.9
252.08910	5.1
253.09689	7.2
265.09735	19.9
266.10510	6.3
271.10858	11.6
274.31113	5.0
278.06622	11.0
279.11288	10.1
280.08334	4.7
283.10742	9.5
293.09149	13.1
294.10086	7.1
295.10806	8.1
299.10217	6.8
309.12408	5.8
311.10080	5.4
313.11810	10.8
323.10361	23.3
325.11798	7.5
335.10220	6.8
340.10544	6.0
341.11298	35.6
353.11234	15.5
463.17529	9.8
476.18082	12.6
504.10532	7.9
504.17673	100.0
511.94241	7.0
522.18365	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81544	2.0
53.03932	6.6
57.03428	3.5
58.06592	5.4
61.02933	3.5
69.03421	13.9
70.06581	9.9
71.04975	4.2
73.02894	3.5
81.03401	18.3
84.08143	4.1
85.02897	82.3
86.09696	8.7
97.02886	38.9
99.04446	50.1
103.03938	84.8
103.04612	5.3
104.25368	2.4
105.12421	2.1
107.04955	5.7
107.29425	2.3
109.02872	29.6
113.39745	2.2
121.06495	9.2
127.03908	100.0
129.10207	5.1
134.06033	9.5
137.06009	4.8
145.04944	54.3
163.05995	30.0
164.07091	7.9
169.05009	2.5
172.03859	5.7
187.06012	5.3
191.24342	2.4
204.06552	10.1
215.91199	2.4
247.08101	14.3
266.98630	2.8
271.08139	9.3
289.09155	3.7
297.11392	9.3
321.11176	6.8
335.23978	3.0
339.12234	8.8
504.17264	6.0
530.30975	3.0
554.23517	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	555.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49256	3.5
56.96547	20.2
57.78036	4.0
68.12003	3.7
70.06599	4.4
73.03345	3.7
91.71639	5.0
92.90556	4.1
189.51842	5.1
191.00185	8.6
209.01289	38.7
214.01741	6.5
232.02832	26.0
255.04469	17.2
271.06299	10.6
277.00574	4.2
279.03387	7.1
287.06058	6.9
289.07532	15.0
294.07993	17.7
297.04269	29.9
312.09076	17.9
315.05460	46.6
320.05930	49.7
333.06421	24.5
335.10657	17.5
338.06970	100.0
356.08051	27.5
361.08557	33.3
379.09695	36.1
402.11160	6.2
511.13449	5.6
519.11243	6.9
555.13055	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65574	4.5
56.72750	5.1
56.96566	29.0
62.63860	4.1
66.42395	4.9
69.07036	8.5
70.06574	18.4
75.96104	5.7
84.95980	7.3
86.09700	11.4
91.05487	6.3
91.71535	10.2
98.97571	78.9
105.07038	10.0
106.40178	6.3
116.98640	39.9
119.08569	23.4
120.08076	6.8
133.10141	23.1
134.99686	16.4
140.00200	68.5
146.99757	6.8
149.28281	6.5
152.00200	7.6
154.01750	7.3
158.01253	28.8
158.99654	60.8
170.01189	6.8
170.99600	6.3
173.01234	8.7
175.14838	26.7
177.00731	38.2
181.02840	21.5
200.02284	100.0
214.03877	16.8
219.01807	14.1
236.33440	6.6
237.02782	12.1
242.03517	29.6
260.04300	11.9
283.05896	14.1
342.20874	5.9
367.14337	20.2
385.15491	8.1
393.15808	19.2
409.15311	19.8
411.16916	80.7
435.16840	20.8
453.17877	94.7
495.18869	8.9
555.22021	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	555.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86482	4.8
57.07076	21.4
59.01761	4.6
61.13521	5.9
65.09650	5.1
70.06595	6.6
107.96545	6.3
114.07219	37.1
123.68256	5.8
149.87663	6.3
176.17139	6.7
177.43755	7.4
204.84854	6.2
256.26468	6.8
274.75925	6.9
282.25928	100.0
322.71655	7.8
385.12616	7.3
555.52661	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63000	0.8
52.45592	0.9
53.15752	0.8
54.35321	0.7
55.05503	1.4
56.05026	0.9
57.03431	9.8
57.17037	0.8
60.25413	0.9
61.02912	1.5
63.69092	0.9
69.03412	4.3
70.06576	2.2
71.04984	71.3
73.02523	0.8
73.02910	2.9
75.04476	6.3
81.03408	1.7
81.07053	1.4
83.04977	9.2
83.06148	1.0
84.67697	0.9
85.02896	100.0
86.06070	3.4
87.04465	3.3
91.71686	2.1
93.07093	1.0
97.02879	4.5
98.06059	1.0
99.04440	2.5
107.04958	1.5
111.04448	3.6
121.06534	7.9
127.03918	3.7
129.05475	32.2
135.04367	1.1
137.05956	6.8
145.04997	2.2
145.06535	3.1
147.06512	12.7
150.84143	1.0
161.05888	1.1
161.98463	1.1
164.09189	5.5
255.10278	2.9
297.11316	4.1
299.43372	1.1
323.12875	1.6
363.85278	1.1
396.43054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45311	0.7
59.28730	0.7
60.07148	0.7
60.08156	9.8
62.12232	0.7
69.85529	0.8
71.07365	5.3
71.14435	0.9
86.09698	45.2
96.57167	0.8
96.93616	0.7
98.98490	2.2
104.10744	4.6
111.40090	0.9
111.86241	0.8
124.99987	22.2
166.02664	1.1
184.07332	100.0
489.17627	1.0
556.30029	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	556.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79244	2.0
59.30021	2.1
60.08162	17.5
61.98808	2.3
71.07356	7.2
79.66467	2.6
86.09697	53.6
91.05429	3.2
98.98453	2.7
104.10729	100.0
107.62243	2.4
118.87956	2.1
121.04261	2.8
125.00002	20.4
139.25066	2.6
141.69191	2.4
147.04446	4.8
184.07344	62.2
242.17592	3.2
510.69510	3.2
556.30389	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	556.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	9.9
63.19281	1.7
70.80758	1.5
71.07356	2.6
74.41916	1.6
84.26189	1.6
86.09700	40.9
96.12455	1.6
98.98445	4.0
104.10714	5.1
124.99992	22.2
163.74202	1.8
184.07336	100.0
492.06271	2.1
556.33740	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	22.6
61.02915	11.5
67.05493	100.0
68.43630	9.0
69.07056	16.5
79.05484	60.2
81.07057	85.2
85.06510	13.6
91.05470	96.0
93.07037	70.9
95.08596	60.3
101.17121	8.2
105.06435	10.7
105.07030	67.2
107.08576	24.6
109.10148	34.5
117.07005	70.1
119.08577	70.1
121.10150	41.4
123.11703	12.5
129.07030	31.4
131.08548	65.0
133.10117	47.5
135.11699	22.0
141.06993	17.9
143.08574	23.5
145.10086	47.3
147.11652	23.8
149.09647	12.0
149.13255	8.8
155.08598	16.4
157.10039	19.9
159.11678	36.9
161.09558	10.3
161.13251	16.8
163.11217	10.5
171.11716	26.2
173.13307	26.8
175.14859	15.3
183.11647	36.8
185.13295	23.2
187.14757	10.6
189.16391	12.3
197.13307	23.6
201.16402	26.5
242.49239	12.3
267.21078	43.0
285.22134	33.6
288.00549	14.3
377.26773	10.4
402.90372	10.9
405.42627	11.7
425.87253	12.0
542.53064	11.2
550.96674	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	556.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63034	8.0
55.05491	10.1
60.83832	8.5
60.90177	7.8
67.05491	98.1
73.88810	7.5
79.05477	39.3
81.07042	61.4
83.26689	7.7
85.02895	10.8
91.05466	100.0
93.07040	53.9
95.08595	36.9
104.10729	34.3
105.07021	52.5
107.04910	11.3
107.08569	22.0
108.15300	9.9
109.10135	24.8
111.08071	12.2
117.07016	42.8
119.08552	47.9
121.10136	38.4
129.06989	29.7
131.08524	62.4
133.10097	54.4
135.11742	14.9
141.06970	17.8
141.33684	10.4
143.08543	21.9
145.10107	40.6
147.11679	31.3
155.08440	13.6
157.10155	13.8
159.11697	30.9
161.13260	22.0
163.11172	9.8
171.11674	17.4
173.13264	19.5
175.14810	12.9
183.11682	19.2
185.13260	18.7
187.14851	16.6
199.14867	15.7
201.16362	22.1
212.31607	9.1
222.79544	9.1
236.79381	10.2
267.21078	27.6
285.22113	28.8
326.27493	10.4
434.90894	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	556.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	42.7
64.32322	3.1
68.11907	3.5
71.08618	34.9
73.06548	9.5
83.59159	3.3
85.10191	19.1
87.04456	3.9
89.06026	100.0
91.71011	8.1
92.27453	4.0
99.11754	3.8
119.83809	3.6
130.08667	21.0
133.08601	49.6
136.83856	3.5
151.57260	4.2
175.00423	3.8
177.11214	16.9
221.13727	7.0
223.83081	3.6
227.43044	3.8
257.24683	7.9
278.43228	3.6
301.27393	7.1
314.57437	4.6
338.14023	4.5
371.22830	5.1
463.13101	3.8
539.41028	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	557.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74076	3.0
55.05508	29.3
56.89373	3.3
57.03420	16.8
57.07058	16.0
58.39627	3.6
59.04990	3.5
67.05170	6.9
67.05496	84.0
69.07059	27.3
70.06586	4.6
71.04988	5.9
71.60860	3.5
74.86401	3.9
79.05479	47.1
81.07048	100.0
83.05016	5.5
83.08608	19.4
85.06529	4.6
89.06033	11.3
90.06403	4.3
91.05479	46.5
91.71723	8.2
93.07032	68.8
95.04932	8.1
95.08032	7.6
95.08596	70.3
97.10170	7.4
104.10737	15.8
105.07027	46.3
107.08585	39.6
109.06552	4.6
109.10140	36.7
117.07014	19.0
119.08575	45.1
121.10136	35.6
123.11723	19.2
127.08643	4.3
129.07004	13.1
131.08542	33.3
133.08591	10.9
133.10110	45.5
135.11702	28.0
137.13269	6.6
143.08562	11.4
145.10121	27.2
147.11670	32.6
149.06181	4.1
149.13231	11.5
155.08508	5.1
157.10153	15.2
159.11681	26.8
161.13268	15.2
163.14816	7.5
171.11729	13.4
173.13277	12.3
175.14807	7.6
176.43719	4.7
178.97862	4.3
183.11771	4.2
185.13240	9.7
187.14906	10.4
189.16365	9.0
199.14894	5.1
201.16432	8.2
203.17937	7.5
213.16365	7.3
215.17986	9.3
217.19458	5.9
231.17442	19.0
233.19031	12.4
257.18933	4.3
264.09836	4.8
305.21204	6.5
307.22742	19.1
309.24237	10.3
367.25888	5.2
465.37756	5.5
529.44324	5.2
539.41180	12.7
556.53290	6.1
557.41998	83.5
557.52899	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	558.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93295	10.3
56.38908	9.0
68.83150	9.8
68.95205	9.4
69.07056	9.6
69.08622	9.3
73.18961	10.3
84.04491	10.2
88.03986	100.0
96.45716	10.3
96.47629	11.8
97.53113	10.3
105.95052	13.0
107.10359	12.6
111.11711	18.3
111.85341	12.0
114.93437	11.5
121.06509	13.5
135.08073	12.9
429.18845	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	558.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12199	13.6
70.06579	36.9
79.50128	14.5
86.09681	16.9
97.02919	16.8
109.09890	15.6
110.05965	13.9
118.06557	28.7
138.05467	34.2
146.06050	45.9
148.07571	14.6
164.05833	15.3
164.07028	100.0
166.04971	77.0
169.28506	15.7
184.06035	25.4
192.06363	15.5
212.70605	18.9
224.09142	34.3
260.09299	32.4
314.13831	24.6
365.82376	16.7
433.62070	18.8
480.16782	20.2
540.20020	21.4
558.20178	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	558.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	18.3
72.08146	3.6
79.05460	1.9
84.08135	4.9
86.03111	1.9
86.09715	10.1
94.06554	4.7
106.06544	10.1
108.08131	2.1
108.65506	1.8
122.06095	2.8
129.10242	2.6
130.05380	2.0
134.06004	100.0
136.07562	6.1
138.05438	3.6
146.06009	9.9
162.05515	3.4
164.07048	56.9
172.03981	2.3
211.08583	4.5
223.08699	4.7
224.09302	2.9
225.10287	4.5
227.08192	3.9
237.10220	11.0
239.08237	7.5
239.11766	3.4
241.09818	3.7
251.08118	3.8
253.09619	10.0
255.11453	3.7
265.09698	23.7
266.10498	2.5
267.07642	5.8
267.11285	6.9
281.09125	13.9
283.10745	9.4
293.09186	15.4
295.10803	12.2
299.10181	4.6
301.11880	7.2
309.08627	3.3
311.10333	9.3
313.11725	5.7
317.02164	2.9
321.08731	7.5
325.11823	3.4
327.09683	13.8
339.09720	18.2
341.11356	7.7
353.11316	3.4
353.95239	2.6
359.12509	12.1
371.12430	8.9
413.59781	2.4
414.14218	3.3
416.15994	4.5
444.15341	6.7
462.16653	18.7
464.18060	2.6
490.16025	47.8
504.17819	6.5
522.18988	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	558.267
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04503	3.5
68.16782	1.8
70.06582	100.0
74.29013	1.8
75.77782	1.9
81.04503	3.5
82.05299	4.9
83.06087	10.7
84.04455	2.2
84.08163	1.9
86.09691	3.8
91.05456	2.3
93.04503	4.4
95.06081	6.2
105.44624	1.9
110.07159	87.9
120.05562	2.7
120.08100	16.2
127.03865	2.2
133.06363	5.8
157.09756	8.7
166.06128	13.6
177.08704	6.4
185.09242	6.8
212.11816	20.0
224.11830	3.0
235.11841	2.9
245.38922	2.1
252.19560	5.7
256.12772	2.6
257.13907	10.4
268.10785	14.4
274.13940	32.5
285.13437	40.8
417.69568	2.2
426.21402	2.4
440.52081	2.5
494.53607	2.1
495.85181	2.6
558.26489	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	558.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67768	6.6
57.07058	17.0
62.24961	8.1
70.06583	41.7
88.07626	43.8
102.09167	35.0
126.33923	8.1
141.34570	7.9
149.02339	61.5
160.28171	8.4
175.03862	8.7
180.22552	7.8
193.04942	96.8
200.20084	61.6
249.36804	8.7
385.09286	43.0
558.26904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	10.5
67.54389	7.5
67.61662	7.1
69.03387	9.7
70.06576	100.0
72.08131	13.5
81.07025	11.1
82.66019	9.0
84.08166	15.9
85.02899	28.4
86.09695	27.9
91.71620	8.8
93.07070	11.5
97.02866	17.0
99.04449	25.3
100.12071	9.1
103.03960	9.0
105.07016	16.9
111.04665	9.8
114.41702	8.6
114.44262	9.4
121.10155	32.6
123.11663	12.4
127.03894	34.0
133.10167	20.9
155.73087	14.0
157.50235	9.7
175.11360	10.4
179.45950	10.2
203.34731	12.0
216.17468	13.4
234.18599	38.1
252.19499	89.9
327.36212	10.4
441.79581	13.2
540.28302	16.0
558.28717	35.1
581.88013	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	558.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	9.7
70.06599	3.3
71.07368	3.4
76.06790	2.8
86.09695	43.2
88.07660	3.3
93.91923	3.4
104.10732	6.3
110.40159	3.0
125.00017	26.7
140.08739	2.7
149.02367	5.0
184.07335	100.0
193.04950	3.7
200.20178	4.9
385.08774	4.1
428.45901	3.3
459.23477	3.6
540.31378	3.8
558.26849	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	558.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	19.6
60.08147	28.1
71.07361	7.0
75.20812	6.0
86.09702	71.5
90.12107	6.2
91.71576	8.8
96.49150	5.0
98.98450	8.8
104.10743	100.0
118.17198	6.7
125.00024	29.3
130.60387	5.5
139.68980	6.7
171.35474	5.9
184.07330	82.6
268.21619	6.7
295.92294	6.3
355.85614	6.8
491.48965	7.4
533.44073	6.8
540.30591	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.4
76.36504	1.4
77.77695	1.4
80.60938	1.5
82.06580	5.8
87.26973	1.3
98.06007	1.7
110.06027	13.4
126.05533	5.3
136.07568	48.8
138.05421	1.9
139.56947	1.6
164.07048	100.0
165.07590	1.9
182.08110	86.3
337.13986	3.5
355.14838	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	559.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19787	4.1
54.37922	3.7
55.01831	3.9
55.05490	8.7
57.06803	6.0
57.07068	100.0
61.01128	13.6
61.33635	3.7
64.18429	4.4
67.05473	6.3
69.07051	9.0
71.08621	70.4
72.04509	24.3
78.03777	15.5
81.07047	21.9
83.08604	6.0
85.10181	40.3
87.40913	4.3
88.02190	7.4
95.08582	13.7
97.10165	8.5
102.03767	23.7
106.75449	4.4
109.10137	7.6
110.35473	4.8
111.11763	6.1
114.03752	10.2
123.11739	7.9
124.07616	4.7
131.06372	17.1
132.04771	25.1
142.08710	5.4
149.07430	55.7
178.82642	4.8
244.87703	5.4
261.12738	13.4
270.27747	5.1
347.40625	5.0
352.32059	60.5
429.35098	97.1
435.83981	5.3
438.85791	5.1
444.49976	5.4
502.03931	5.8
541.40393	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	559.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51106	18.1
53.83590	16.8
64.75999	21.2
67.05489	99.6
69.07059	47.3
69.78668	16.7
76.14062	23.5
79.05478	56.9
81.07030	100.0
83.08582	26.2
91.05474	48.7
91.71732	36.4
93.07042	59.6
95.08612	55.1
105.07044	40.6
107.08604	42.9
109.10152	25.1
119.08546	47.9
121.10158	36.7
129.20398	19.4
131.08589	37.3
133.10104	44.9
147.11636	25.2
159.11971	19.5
210.44240	21.7
253.21774	21.7
307.22794	33.8
559.43365	87.8
588.32593	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	560.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38007	1.3
67.51598	1.4
71.41287	1.6
91.71062	2.6
110.11922	1.2
114.09138	2.5
185.04247	17.6
203.05267	33.9
203.07100	2.3
218.04593	36.6
236.04251	8.0
244.07814	1.6
245.05145	1.6
253.03822	1.5
254.05382	6.3
259.06091	5.3
262.76865	1.8
276.37741	1.4
278.05408	11.2
300.08514	3.2
308.06601	2.1
329.34201	1.5
338.07346	2.8
365.10535	100.0
380.08447	2.7
413.09369	1.7
446.60809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75397	1.1
65.03944	2.6
72.70125	1.1
74.00655	3.1
79.48071	1.3
80.10722	1.2
80.36143	1.2
91.05464	20.5
93.07043	1.5
105.03333	1.8
105.07011	2.5
107.04944	15.4
119.04943	9.4
120.01163	1.3
120.05737	2.7
121.06499	2.1
125.13027	1.4
128.06221	2.2
142.07730	2.0
146.85292	1.4
157.81133	1.7
165.07060	1.7
171.07944	1.7
181.06384	1.8
195.08032	2.4
197.05977	3.0
199.07533	15.8
210.06729	2.8
211.07542	6.2
212.08104	1.6
213.09100	33.3
225.05667	3.5
225.09077	33.2
226.06255	7.7
227.10629	11.5
238.06210	2.4
245.02722	9.5
257.02664	3.6
258.03409	36.6
259.04120	5.1
271.04230	4.8
315.18787	1.7
347.07690	1.6
365.08316	4.0
437.13620	1.9
438.14883	1.8
471.12531	100.0
560.17511	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	560.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.2
56.05016	12.6
60.04515	100.0
67.05484	29.0
69.07054	14.8
70.06570	10.0
71.08611	10.1
75.05774	9.5
77.64557	8.8
79.05430	10.4
80.42971	9.5
81.07040	35.6
82.06596	13.4
83.08617	14.9
87.18851	7.8
95.08584	61.8
97.06535	10.0
100.55151	8.4
109.10114	10.8
113.59864	10.2
119.08656	9.3
143.46477	10.6
161.13281	14.4
197.15465	10.1
215.16557	19.6
261.28381	10.1
264.26907	34.1
265.25305	20.5
282.27957	28.4
284.18292	12.0
298.67221	10.5
343.56454	9.7
518.09668	11.1
524.42786	33.7
542.44263	67.5
561.39825	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	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
53.15510	3.8
54.54812	3.7
70.06577	22.9
72.08126	6.5
78.14328	4.2
84.04491	5.3
84.08126	6.2
86.09682	14.2
89.88320	5.1
93.29174	4.2
97.53564	4.5
100.27077	4.2
103.38530	5.1
105.51039	5.3
115.55981	4.2
116.93922	4.9
236.11774	5.4
250.01224	5.2
298.68726	5.8
299.05597	8.7
402.23309	6.1
429.32178	5.4
475.08749	6.2
561.19287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76981	42.1
76.72414	54.6
84.54591	52.8
93.61964	55.7
98.75011	49.5
125.48456	55.4
129.03094	62.4
131.17374	63.1
241.98285	61.0
309.44534	61.4
432.38165	69.9
458.17841	65.4
561.38934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39511	47.3
66.46838	48.1
71.79488	46.9
75.12011	48.9
80.37032	64.0
81.07045	71.6
83.72430	55.9
84.98640	48.8
117.46955	56.1
133.70937	51.9
188.49051	58.0
201.04398	70.7
210.18520	68.3
221.88873	55.7
561.38092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33503	31.7
53.66444	40.1
54.61843	32.4
59.49428	45.2
60.24804	35.3
67.85043	41.1
89.91187	36.3
91.71057	100.0
107.70245	47.2
250.25635	51.2
455.08517	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76830	3.1
57.46645	3.3
57.49470	3.0
83.37728	3.1
89.40205	3.0
94.16625	3.1
96.74468	3.1
116.90403	3.3
116.95090	3.2
121.87202	3.3
130.39217	3.6
132.91132	4.5
186.54808	4.7
212.37938	4.4
214.53465	4.1
256.90469	3.9
561.30249	100.0
562.30719	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	561.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72380	4.5
52.78839	4.4
53.71832	4.6
57.07066	7.5
68.36360	5.2
89.06050	8.7
97.52758	5.2
186.75786	5.7
241.67964	5.7
248.66333	5.9
285.62985	6.2
328.36935	6.2
346.85434	6.3
370.66754	6.5
490.58664	6.6
561.30408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	24.2
57.07061	98.8
60.04505	43.7
68.54212	22.9
78.68394	23.9
83.06477	25.0
84.04489	100.0
86.33153	23.8
95.08620	47.3
121.07728	25.3
128.07089	67.5
168.48088	28.0
216.12273	42.5
267.15109	92.4
272.03882	28.2
277.66275	26.5
318.59726	35.2
322.34735	31.0
355.20258	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	561.3971
Annotation	(+)-Strempeliopidine
Peak:m/z	Relative Intensity
60.04511	2.6
62.10742	2.2
73.34514	2.3
75.97710	2.3
95.08587	4.8
98.08899	3.4
98.60785	2.4
112.63083	2.4
134.28212	2.6
173.45619	3.1
175.19283	2.6
225.29951	3.2
313.89719	2.8
396.89258	3.0
561.31281	5.2
561.39795	100.0
561.48462	5.8
562.39642	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	561.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.8
64.77905	17.0
67.05489	97.2
69.07052	42.2
75.91884	16.7
76.13707	18.1
79.05499	54.3
81.07053	100.0
83.08584	24.5
93.07031	71.6
95.08591	62.5
96.43387	18.0
107.08572	62.1
121.10152	50.7
123.11655	24.6
125.27705	23.9
126.20588	20.7
131.08633	25.0
135.11684	38.9
164.00175	26.1
215.18036	29.9
253.22838	23.0
311.25586	23.9
346.15201	31.6
453.01456	24.2
561.37195	27.6
561.45038	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.1
56.05015	10.1
57.30963	8.6
61.18876	9.2
70.06575	27.8
70.89983	9.8
70.97840	8.2
72.08141	85.8
74.06052	39.4
75.61815	8.8
84.04494	11.5
84.08181	8.9
86.09696	75.7
101.07150	15.2
105.51801	9.3
116.94830	9.1
127.08640	19.2
142.08626	20.9
149.65079	9.5
158.30049	9.2
169.21465	10.3
187.10791	100.0
187.14381	52.5
215.10327	36.9
215.13933	29.8
247.12836	12.7
297.69101	12.6
298.14059	26.6
316.15018	23.8
354.15073	11.4
403.43304	11.2
550.61816	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	562.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79996	2.2
55.03898	1.9
77.00595	9.5
89.06009	10.6
91.05793	7.0
95.01637	48.0
99.02649	2.3
101.04219	3.1
102.03718	5.1
114.07375	20.3
117.03699	4.3
118.03210	100.0
119.01605	3.8
121.03202	5.9
137.98734	2.3
144.04767	7.8
145.06790	29.2
147.04718	64.0
162.05836	3.1
165.05780	7.0
182.06197	2.5
188.07375	12.8
189.09427	16.2
191.07368	12.8
233.11893	2.8
235.09978	8.0
239.09479	9.0
309.46536	2.9
365.20035	12.2
389.21436	2.5
458.64246	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	562.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	4.3
60.08146	22.7
65.61782	4.7
69.39039	4.7
71.69292	4.7
79.05495	6.2
85.32386	6.6
86.09679	63.9
104.10741	100.0
115.24689	6.5
125.00011	25.7
133.81932	5.8
184.07317	80.3
199.97762	6.0
290.17911	6.9
338.38516	6.5
415.29483	6.0
562.34924	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	563.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03489	6.9
58.18503	7.4
60.18111	6.0
62.65804	8.1
63.83158	6.8
67.14034	6.9
72.74595	6.7
99.46977	8.2
110.32658	7.6
140.86551	8.8
150.70374	9.6
171.67834	8.6
192.64006	12.0
205.48061	8.7
329.04938	56.5
352.06531	55.2
375.08218	35.5
424.98874	10.2
443.42740	11.4
563.08044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61513	3.9
54.12258	4.8
60.64985	3.8
61.36848	3.8
63.50226	4.6
71.15238	4.2
73.93626	4.3
77.03683	4.3
81.04530	4.8
82.05331	5.8
82.06570	4.0
90.26192	6.3
110.07163	72.9
122.07135	19.3
123.07925	82.7
124.08708	100.0
131.39613	4.4
131.57042	4.7
137.08208	5.6
144.04785	8.5
150.52821	5.3
230.25533	5.6
263.09457	22.7
283.12341	5.8
297.25421	6.0
446.76965	5.2
563.22070	19.3
579.97577	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	563.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54380	3.1
52.51740	3.1
59.79776	3.5
80.11377	4.0
81.96626	4.0
83.77113	3.8
88.35042	4.0
145.18547	4.1
250.99498	4.5
309.60223	4.2
469.97357	4.4
563.28186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55774	4.0
55.05501	16.2
57.07062	10.3
60.13243	4.1
67.05503	33.4
69.07068	55.6
71.08643	5.9
74.53499	3.9
79.05473	11.7
80.54035	4.1
81.07052	100.0
83.08605	19.5
83.49394	4.4
91.05478	15.6
93.07036	53.2
95.08599	92.5
95.09167	8.6
97.10168	7.3
105.07006	23.7
107.08582	54.7
109.10156	64.5
119.08593	22.2
121.10159	47.0
123.11720	26.1
126.70160	4.6
131.08562	6.1
133.10106	13.8
135.11668	32.5
137.13252	13.5
145.10149	9.1
147.11684	17.0
149.13255	39.4
151.88766	4.2
161.13280	14.4
163.14827	19.6
165.70871	4.8
173.13280	4.8
175.14775	7.3
177.16328	6.3
189.16403	8.7
191.18097	6.4
197.42722	4.6
197.93422	5.5
199.05927	5.3
205.19531	6.0
244.26654	4.7
273.25839	8.3
278.93536	5.7
548.71277	6.4
563.51624	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	563.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.5
57.07067	7.8
60.17274	2.7
62.70979	3.0
65.03924	4.5
67.05500	28.2
69.07056	40.9
79.05487	10.7
81.07049	100.0
83.08607	11.2
91.05466	10.0
93.07045	28.0
95.08602	80.6
97.10156	13.0
102.60342	3.4
105.07027	19.8
107.08595	36.7
109.10139	51.4
111.11720	5.7
115.40684	3.5
119.08594	14.4
121.10149	29.1
123.11717	28.7
125.72083	3.3
131.08583	8.4
133.10153	14.3
135.11684	19.2
137.13272	14.5
143.93405	3.2
145.10110	5.3
147.11722	8.1
149.13242	21.5
159.11676	7.4
161.13228	7.4
163.14861	13.7
173.13348	4.2
175.14803	9.5
177.16353	7.0
189.16292	4.6
191.17909	5.8
205.19658	3.6
218.55553	4.2
232.12344	3.9
233.67168	4.3
245.22661	6.3
259.24390	4.9
297.57214	3.9
545.50836	4.4
563.52142	20.8
591.29901	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	564.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74816	7.0
51.77117	7.3
60.65378	6.9
69.99003	7.9
70.06583	52.2
81.16548	8.6
84.04522	10.6
181.02858	10.7
187.85701	9.2
219.01813	23.8
237.02986	19.9
242.03394	23.2
260.04358	17.5
283.06042	10.1
290.87506	9.4
292.07288	10.8
303.07675	27.0
305.09747	10.8
321.08688	41.1
344.10153	46.2
384.12433	9.6
420.11639	100.0
428.35910	9.9
462.12982	95.1
504.13943	22.5
564.16730	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.3
55.05529	12.6
56.20914	4.2
57.08106	3.4
59.44495	4.2
59.64621	3.5
62.75671	4.2
69.03436	12.6
71.05013	5.8
76.43333	4.8
81.03436	15.0
81.07087	10.7
83.04990	12.1
83.08596	62.5
85.02886	46.3
86.09746	6.9
91.05498	10.2
91.71484	11.6
93.07085	9.3
95.08648	16.1
95.33649	5.6
97.02892	43.8
99.04443	44.3
103.03919	40.9
105.07082	12.6
107.08580	100.0
109.02953	15.9
109.06546	6.4
109.10203	16.5
111.67908	4.8
119.08639	23.3
123.08158	8.0
123.93128	5.2
125.06046	12.0
125.09623	89.1
127.03902	53.1
135.11743	8.0
144.30991	5.0
145.05066	16.9
147.08078	6.0
153.12814	8.2
153.47786	5.5
159.11748	13.8
163.11244	16.9
165.09206	22.2
167.07074	5.3
177.12834	13.7
181.12218	44.5
205.12204	29.1
223.13400	21.9
271.08142	7.6
592.44415	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	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88359	7.2
55.05503	20.8
57.07044	8.1
59.04998	9.4
60.17049	6.9
61.04013	9.0
67.01319	7.6
67.05486	31.7
69.07050	33.2
79.05487	37.0
81.07035	44.3
83.04985	7.6
91.05459	48.5
93.07032	62.0
95.04976	23.7
95.08601	52.0
105.07018	91.1
107.08611	49.5
109.06525	10.1
109.10151	33.0
112.06795	9.1
117.07005	15.8
119.08579	100.0
121.10139	79.5
123.08117	12.8
125.06044	9.8
128.06197	12.7
129.07007	13.9
131.08537	51.7
133.10124	68.3
135.08118	13.7
135.11693	16.8
141.06966	15.4
142.07790	16.9
143.08574	35.7
144.09332	9.8
145.10114	60.6
147.08054	13.0
147.11694	22.3
154.28474	11.0
154.76884	10.4
155.08572	20.7
156.09370	13.3
156.63672	11.1
157.10158	52.9
159.11696	33.5
165.09099	25.9
167.08585	17.2
167.10707	31.2
169.10114	36.2
171.11644	28.9
173.13275	35.2
179.08429	12.5
181.10071	13.5
181.12169	13.2
183.11720	20.5
185.13185	13.0
193.10167	11.7
194.11053	14.4
195.11754	24.4
197.13266	28.8
201.16356	11.2
207.11644	25.1
208.12350	13.6
209.13271	38.0
211.14784	18.8
220.12570	10.4
221.13409	15.2
221.15404	12.3
223.14624	13.8
225.16345	13.3
233.13268	18.7
235.14709	11.4
245.13297	10.8
245.28743	13.6
261.16205	12.6
313.58609	10.6
360.49844	10.6
547.38678	19.9
565.40302	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43703	6.3
55.05507	12.4
57.03386	6.0
57.07074	11.0
67.05515	26.7
69.03422	8.9
69.07074	17.8
79.05477	18.3
81.07053	46.4
83.04985	9.1
91.05472	59.3
91.70957	13.7
93.07033	52.1
95.04995	16.7
95.08591	47.4
105.07032	100.0
107.08572	39.6
109.10192	27.2
117.07051	25.7
119.08570	96.0
121.10123	55.7
123.08080	17.5
123.11796	9.1
125.06017	16.0
128.06277	10.7
129.07030	13.4
131.08632	33.3
133.10146	46.0
141.07005	10.2
142.07838	27.4
143.08559	46.6
145.10123	50.7
147.08058	11.9
147.11662	16.7
148.83931	6.9
153.07010	10.2
155.08623	17.9
156.09470	11.3
157.10095	58.4
158.10896	10.9
159.11746	13.8
163.11282	12.0
165.07077	12.4
165.09183	31.4
166.07939	9.0
167.08548	17.1
169.10214	22.7
170.10970	13.3
171.11726	23.5
173.13254	34.7
179.08667	13.7
181.10052	7.3
181.12317	18.7
183.11743	20.8
185.13307	14.0
193.10219	16.4
194.11035	12.4
195.11801	21.7
196.12502	12.3
197.13377	24.3
203.14272	8.6
205.10312	9.9
207.11716	15.9
209.13318	25.8
211.14902	14.9
219.11823	10.3
220.30811	7.6
221.13281	17.1
221.15480	45.9
223.14857	16.2
231.11584	7.7
233.13336	10.5
237.16333	12.4
239.17851	9.3
240.02998	8.1
247.14688	10.0
251.18138	7.2
265.19382	9.8
426.60919	10.0
473.34448	13.7
565.40198	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87656	3.7
53.03933	4.4
55.05499	15.3
57.07058	9.9
59.04996	4.1
59.50489	3.7
67.05498	28.3
69.03406	8.6
69.07059	17.9
79.05486	13.8
81.07054	35.4
83.04980	5.6
83.08591	7.3
83.47764	4.6
83.81026	3.6
91.05473	49.9
93.07035	54.4
95.04951	14.0
95.08588	41.7
100.03009	3.6
103.05401	4.1
105.07030	100.0
107.08592	40.8
109.06520	11.6
109.10164	27.8
115.05427	5.5
117.07011	19.0
119.08577	84.2
119.09365	7.9
121.06506	8.1
121.10146	59.6
123.08079	14.3
123.11682	8.2
125.06018	13.4
128.06241	15.5
129.06996	20.9
130.07860	5.2
131.08542	24.3
132.39905	4.2
133.10115	42.1
135.08076	9.9
135.11700	11.5
137.09622	8.3
141.06976	6.9
142.07787	20.9
143.08545	34.2
144.09346	7.0
145.10136	52.8
147.08047	14.9
147.11705	15.6
149.09608	7.9
151.07518	7.3
154.07764	5.0
155.08502	20.6
156.09364	9.9
157.10104	50.5
158.10864	5.7
159.11656	28.4
161.09738	6.1
161.13254	6.9
163.11183	6.4
165.06967	11.8
165.09109	22.4
167.08611	15.2
167.10681	7.7
168.09311	7.3
169.10109	23.1
170.10898	8.1
171.11664	27.3
173.13205	20.1
175.14804	7.3
179.08612	18.5
180.09406	8.7
181.10149	16.6
181.12280	12.6
182.10890	7.8
183.10080	4.4
183.11646	20.2
185.13298	15.6
187.14812	6.1
191.08475	5.0
193.10103	19.1
194.10994	7.8
195.11652	22.5
196.12448	4.8
197.13200	20.2
199.14851	15.6
201.16216	5.5
203.08595	5.8
203.14264	9.9
204.63882	4.6
206.10826	9.4
207.11659	16.7
208.12366	7.1
209.13258	24.0
211.14752	8.8
211.44797	5.3
217.10223	4.6
219.11710	8.9
220.12430	6.5
221.13213	18.2
221.15399	40.1
223.14838	11.7
225.16325	6.3
231.11670	7.0
232.12465	7.9
233.13333	8.9
233.15460	5.4
235.14828	5.7
236.62497	4.2
237.16403	12.9
239.17838	5.9
244.12323	5.6
245.13277	6.9
246.14133	4.9
247.14864	9.8
248.15564	5.4
259.14606	5.6
261.16357	11.7
263.17987	6.2
265.19473	9.7
273.16351	5.5
275.18024	11.1
279.67874	5.1
357.25671	7.8
473.34125	8.1
565.40350	62.7
566.41406	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27547	25.1
54.46743	23.5
66.77802	26.5
67.05483	35.3
67.60741	29.2
69.07048	33.4
69.80376	25.1
70.53992	25.5
79.41593	28.8
81.07059	36.2
90.50999	33.2
91.05493	42.8
93.07039	45.7
95.08605	39.6
105.07014	100.0
107.08604	63.5
108.54444	29.6
119.08588	99.1
121.10150	50.7
131.08572	47.1
132.77835	30.1
133.10147	55.6
143.08604	40.5
155.08698	37.8
157.10144	55.4
173.13210	35.9
217.30638	34.6
244.24590	36.6
277.04330	44.6
446.33746	41.3
565.40302	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.2
57.95398	18.1
63.95000	20.6
67.05504	29.5
75.55370	21.0
79.84109	20.8
81.07059	44.7
88.61226	19.3
91.05460	40.9
93.07033	66.5
95.08620	25.9
105.07043	100.0
107.08616	47.8
109.10151	29.0
111.14229	21.0
119.08604	49.9
120.02855	21.8
121.10168	81.4
123.16550	28.4
129.25882	23.0
131.08578	43.0
133.10115	56.1
142.07829	37.9
143.08589	38.5
145.10190	52.7
157.10117	48.8
159.11777	25.5
169.10219	28.7
171.11713	25.6
173.13248	29.7
181.10085	24.5
185.13329	36.4
223.14893	23.2
264.18320	26.6
430.06808	27.6
565.40198	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13681	15.1
52.48232	12.0
55.05506	20.8
67.05471	43.6
68.76910	14.4
69.07062	16.4
79.05466	15.4
79.37852	13.5
81.07044	42.0
84.91270	13.9
91.05489	62.0
91.71051	24.9
93.07042	71.9
95.04977	22.0
95.08583	43.3
105.07021	100.0
107.08576	62.2
112.45573	16.6
117.06961	14.5
118.46120	14.1
119.08559	96.2
121.10149	62.8
123.08114	17.2
128.06229	17.4
129.06992	19.1
131.08568	38.8
133.10143	69.1
137.98158	15.6
141.07033	16.0
142.07776	40.6
143.08507	36.3
145.10129	68.8
147.11710	18.9
151.76929	16.1
155.08601	33.0
156.09373	25.8
157.10190	56.3
159.11653	18.6
165.09061	19.9
167.10646	32.4
169.10056	39.5
171.11646	30.1
173.13228	31.6
181.10172	17.9
181.12296	27.5
183.11827	21.8
185.13245	27.3
195.11740	29.6
197.13315	25.6
207.11646	25.5
209.13248	25.4
233.15349	22.7
237.16261	28.8
239.18065	18.5
248.88327	19.6
278.92270	16.1
319.48859	20.5
565.40186	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.2
57.07074	13.6
57.98635	11.3
62.61301	12.5
67.05488	25.6
69.07062	26.3
72.61617	12.9
74.15645	13.3
79.05465	12.9
80.33263	14.6
81.07029	36.3
85.99305	12.7
91.05473	60.3
93.07047	44.0
95.08582	39.0
105.07001	84.7
107.08586	53.6
109.10147	31.8
117.07001	12.0
119.08565	100.0
121.10169	66.5
129.06998	22.1
130.89903	12.6
131.08585	34.2
133.10127	46.8
142.07813	34.0
143.08565	44.0
145.10149	51.2
147.11656	18.7
155.08513	18.8
156.09267	21.9
157.10149	71.5
159.11713	27.3
161.13301	21.8
168.09325	18.4
169.10149	31.7
171.11667	21.8
173.13225	33.2
181.10170	19.8
181.12286	20.8
185.05711	16.6
185.13272	31.4
194.10948	20.1
207.11668	29.0
209.13246	33.0
221.15327	17.3
233.13135	18.2
308.33795	15.4
314.02322	14.9
357.07538	15.9
440.88522	18.1
473.34552	16.6
546.47607	15.6
565.40106	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	566.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36695	2.3
69.03427	3.2
70.06593	5.7
71.04964	2.8
72.08113	3.0
84.04459	3.1
85.02888	14.7
86.09697	4.8
87.67033	2.5
97.02869	4.3
104.93237	2.3
115.05398	4.0
120.08077	4.7
137.05975	5.6
160.05270	2.6
174.06734	3.2
175.07527	7.8
194.07253	9.1
201.05446	5.4
205.06494	10.7
211.07538	3.1
212.51796	2.7
219.08203	5.9
222.06731	22.6
233.06029	4.9
234.06689	10.3
235.07611	7.0
237.09068	58.1
239.06956	4.4
245.04514	9.2
247.07506	9.0
249.34831	2.8
250.06200	14.2
263.06982	11.3
264.88666	2.7
265.08545	95.6
266.09296	5.7
267.06473	2.8
274.82248	3.4
280.07407	3.0
281.08084	5.1
282.09015	8.8
291.06439	17.1
297.11166	50.0
308.06891	7.8
309.07516	3.7
323.09143	37.3
338.80896	3.4
341.10156	100.0
341.32895	3.2
465.13998	2.9
496.41772	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	566.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
58.61515	2.6
61.01128	9.0
66.59417	2.4
67.05479	2.4
70.06579	8.2
72.04497	13.7
72.08118	3.0
73.40709	2.9
74.00641	3.1
76.02212	4.2
78.03777	15.9
79.05479	4.3
85.02894	4.8
86.06061	5.8
88.02193	5.7
89.09635	2.8
91.05460	6.4
93.07033	36.3
95.04932	5.0
95.08616	9.9
96.08094	2.7
102.00111	3.2
102.03769	26.1
111.02654	4.0
114.03754	12.8
120.04895	3.3
120.08106	3.2
121.06502	23.3
122.02720	6.4
124.07554	3.4
131.06396	10.7
132.01134	11.0
132.04803	10.6
142.08659	4.5
148.00618	6.4
148.07542	3.2
149.05995	10.2
149.07426	35.0
174.02264	4.0
178.06805	3.6
203.08301	3.2
220.09622	4.7
222.06758	3.8
224.07372	5.7
226.09064	6.1
237.09154	7.4
238.34767	3.1
242.08485	5.1
250.06133	4.7
261.12604	3.7
265.05853	2.8
265.08493	17.6
270.07648	3.1
285.92264	3.0
290.85062	2.9
297.11209	13.7
315.49115	2.8
323.09238	6.4
326.20847	3.6
341.10477	10.9
352.13040	3.4
436.15668	100.0
548.20911	12.8
566.22589	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	566.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73450	3.9
55.01861	6.1
57.03422	6.5
64.89864	4.7
66.54180	5.9
67.05508	34.6
69.07060	8.5
70.17875	4.6
71.07368	17.9
79.05483	17.0
81.07038	25.4
86.09707	100.0
91.05481	35.0
91.70988	10.1
93.07051	22.3
95.04953	5.1
95.08596	26.4
104.10750	13.3
105.07035	19.3
107.08581	5.6
115.51617	4.9
117.07040	7.4
119.08566	14.2
121.10131	6.8
133.10121	7.9
146.98183	88.1
164.32921	6.3
188.00816	11.0
203.17970	7.9
213.37056	6.0
222.93086	5.7
276.56860	6.3
383.25681	18.7
507.24783	92.6
566.31909	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	567.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03449	3.7
56.96576	2.9
61.00477	2.5
70.06236	2.2
70.06583	19.3
73.44131	2.6
78.08867	3.2
80.04998	3.1
81.04536	22.8
84.04498	4.1
84.08120	3.8
86.09684	3.4
120.08063	4.1
122.07140	100.0
127.03854	4.0
131.62953	2.9
153.01840	6.0
166.01654	3.1
169.18198	2.9
212.92500	3.5
317.01050	5.8
345.02850	19.9
350.03412	13.3
363.03802	4.7
368.04352	30.3
391.06012	44.3
567.15399	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69188	46.6
61.66683	42.4
62.59966	40.4
70.06590	64.9
74.73637	44.6
84.04489	77.7
85.51955	48.7
90.18493	53.1
122.02725	100.0
132.44681	44.6
137.25566	43.1
158.20949	49.5
172.93399	51.9
220.35617	53.9
251.07037	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	7.5
57.89497	7.1
58.99578	10.5
67.05488	27.4
69.07032	12.0
70.06585	12.0
76.02208	18.1
79.05465	30.2
81.07056	11.1
84.04488	82.4
91.05473	28.1
91.71723	10.2
93.07052	25.9
95.04932	9.8
95.08573	12.8
97.06542	12.9
102.79457	8.9
105.00070	8.6
105.07010	22.1
107.08601	12.8
107.63855	8.0
117.06989	17.0
119.08588	17.7
121.06488	20.8
121.10150	22.3
122.02732	81.2
123.08003	14.1
129.07022	14.5
130.05019	37.5
131.08568	33.7
133.10126	9.7
136.51721	8.5
142.03258	12.4
143.08577	13.0
147.08043	13.8
149.09616	21.1
155.08557	14.6
159.08090	11.5
161.09644	9.1
171.11710	21.8
177.12737	12.4
188.03798	9.9
192.37402	9.5
197.13239	12.4
215.14317	18.7
234.04237	16.0
251.06943	100.0
299.20023	45.6
317.21198	23.6
341.17819	10.4
457.00143	10.3
464.96140	9.1
567.26447	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	567.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	7.2
75.58739	1.0
82.50880	1.0
83.08694	1.2
86.24571	0.8
86.46324	0.9
98.97588	2.4
104.57535	0.9
107.70001	1.0
115.00224	0.9
116.98601	2.2
125.59505	0.9
131.19159	0.9
139.00641	1.0
140.00168	1.6
146.99506	1.1
147.21266	1.0
158.01199	1.3
171.03299	1.1
175.02847	3.1
186.02116	1.4
189.04359	1.5
193.03822	2.0
194.04800	1.1
198.04437	3.6
224.03616	3.1
226.26701	1.1
234.05707	2.0
247.05255	3.7
252.06638	8.4
256.87589	1.1
270.07758	1.7
275.08221	9.7
293.09283	1.8
303.12552	15.4
303.15369	1.1
321.13712	43.3
339.14709	2.4
344.15295	100.0
345.15613	6.0
385.17880	2.1
480.93436	1.3
548.55194	1.2
567.29840	33.2
580.01886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08685	5.3
54.86699	4.2
57.18353	4.6
61.33296	4.9
70.06577	14.7
75.84120	5.0
84.08138	5.8
85.02902	6.6
91.90473	4.8
98.09739	5.3
115.05428	15.8
115.25536	5.0
134.26985	5.0
137.05907	5.5
145.05014	6.0
160.05202	38.5
163.96632	5.6
171.29150	6.3
175.07535	100.0
199.76340	6.0
201.05476	23.9
219.06522	76.3
240.70505	6.0
247.05997	18.5
286.55301	6.0
300.79614	6.0
334.32739	6.5
336.22379	5.4
446.29404	5.6
475.76804	6.3
531.72900	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	568.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02067	2.9
62.17795	3.1
70.06602	7.9
74.11446	3.5
76.41375	3.6
78.62137	3.9
79.79457	3.7
97.18390	4.0
101.29320	4.0
106.06560	5.2
110.09800	4.3
120.04459	8.4
120.31267	4.1
122.06101	5.6
126.63215	4.2
134.06071	12.6
136.07617	21.9
146.06007	5.1
164.07141	9.4
190.63547	4.8
214.79106	3.8
225.10236	8.6
237.10283	10.4
239.08347	5.6
239.11893	5.9
251.08151	7.2
251.11809	7.4
253.09700	8.9
261.10284	4.5
263.11517	4.7
265.09741	12.3
267.11395	8.5
279.07715	7.2
279.11337	10.0
283.10828	12.1
291.11417	5.7
294.09949	7.4
295.10703	7.8
311.10440	6.6
326.12451	10.0
326.76547	5.3
327.13232	9.8
335.10577	5.5
337.11972	5.0
339.09668	8.4
339.13306	48.9
352.38745	5.1
354.12262	15.9
355.13055	15.8
367.12677	28.7
472.18997	7.1
486.16693	19.8
490.19617	10.4
518.19244	39.3
536.20319	100.0
568.23132	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	568.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81446	2.7
55.27633	2.7
67.41100	2.8
70.06573	15.3
84.04487	3.5
86.09695	6.4
88.09517	2.8
90.61242	3.9
94.06557	4.4
106.06544	5.6
108.08109	6.4
118.06467	4.6
119.53098	3.3
119.63403	3.8
120.04464	6.1
122.09671	3.6
125.45811	3.4
130.27405	3.5
134.06020	13.2
136.07594	12.6
146.05887	4.0
164.07057	7.6
164.52126	3.3
204.06554	9.8
221.79268	3.9
225.10193	5.7
237.10208	10.0
238.10909	4.6
253.09528	4.4
262.40805	4.1
265.00769	3.7
265.09595	6.9
267.11221	3.9
283.10767	7.7
289.09808	5.8
295.10919	7.2
297.12399	4.6
309.12177	4.3
311.10181	7.4
327.13330	15.2
339.13290	26.6
341.78876	4.4
354.12018	8.5
355.12839	8.3
367.12964	7.2
371.12427	5.4
472.19012	5.4
477.19858	5.0
490.19202	5.0
498.35452	4.2
518.19080	20.5
536.20404	12.4
550.21619	19.2
568.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06569	2.4
94.06562	2.5
102.42079	3.0
106.06550	5.0
108.08110	5.9
120.04485	12.8
122.05949	3.1
134.05997	12.4
136.07559	21.6
146.06076	5.4
164.07071	7.6
167.90981	2.9
172.03853	4.3
225.10349	6.7
237.10274	11.4
239.08241	4.0
239.11707	4.9
249.10173	4.6
250.11166	4.0
251.08179	6.1
251.11801	9.1
253.09656	7.6
265.09735	10.4
267.11322	7.4
271.10672	6.4
279.07767	8.5
279.11310	6.5
281.12961	4.5
283.10812	8.8
289.09714	5.9
293.09052	3.0
293.12823	3.3
294.10110	10.1
295.10898	5.1
296.11646	4.0
297.08609	3.4
298.09338	3.0
311.10266	12.5
312.11005	3.8
325.11655	3.5
326.12589	6.3
327.13480	11.7
335.10196	7.5
339.13354	46.4
354.12195	12.2
355.12949	11.6
356.13867	3.4
367.12881	27.8
398.15311	4.8
472.18518	6.7
477.19095	5.1
486.16638	11.8
490.19620	11.7
518.19202	34.2
536.20288	100.0
550.21588	5.1
554.21204	4.5
568.23352	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	568.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.6
57.28375	5.9
64.90420	5.4
66.35921	5.9
69.03431	11.2
70.06579	15.0
71.04980	6.4
71.53896	6.1
81.03394	14.7
85.02901	69.7
86.09698	8.4
97.02880	51.4
99.04457	40.9
103.03931	67.5
109.02884	27.5
110.07186	7.5
116.23180	7.5
127.03910	100.0
145.04939	50.6
150.25798	9.2
159.90866	7.9
163.06024	28.0
178.66760	8.8
227.37531	7.1
273.33481	7.4
364.02576	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	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	17.7
63.29034	11.2
67.05489	33.4
68.71021	12.4
69.07052	12.9
79.05472	22.6
81.07041	35.3
87.17805	14.0
91.05463	52.6
91.71002	18.4
93.07039	59.4
95.04955	48.9
95.08598	25.9
96.94514	12.4
105.07046	77.7
107.08588	58.5
109.06466	15.1
109.10172	30.3
117.07043	19.7
119.08578	100.0
121.10165	23.6
127.08509	12.8
131.08598	67.6
132.09378	23.2
133.10144	69.0
135.11699	15.3
143.08580	52.9
143.63908	14.9
145.10094	92.1
147.11685	19.9
155.08627	19.6
156.09354	18.9
157.10181	36.0
159.11693	33.6
169.10136	28.8
171.11707	23.0
173.13309	20.7
175.14801	17.8
181.10178	21.5
183.11711	34.2
185.13261	17.4
195.11630	16.5
197.13161	21.9
208.12410	14.3
209.13240	25.6
338.25989	52.8
476.36447	19.5
568.42511	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	569.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25960	3.0
56.96560	11.9
57.10110	3.0
75.40500	3.5
91.25272	4.9
167.00154	4.7
179.00266	15.5
195.03639	5.1
197.01169	38.2
202.01862	12.3
220.02788	32.9
235.27339	3.8
238.03929	4.8
243.04439	22.5
257.97784	4.4
273.05667	4.1
301.03882	8.3
306.04440	5.9
308.05640	4.7
315.05521	5.5
324.05542	9.3
347.06598	5.7
348.07898	5.9
388.06454	4.8
403.08572	10.7
406.07266	11.0
421.09564	12.0
428.07880	7.9
429.08481	24.3
444.11264	30.9
509.12894	12.8
527.13861	19.1
535.12769	6.0
550.15332	100.0
568.16400	27.7
591.17822	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	569.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77581	2.8
52.78971	3.5
55.93524	4.2
57.67289	2.8
66.05580	2.8
70.06566	3.8
81.07045	3.4
91.05477	3.5
105.07016	13.3
107.08563	3.7
113.96369	3.8
119.08561	12.6
147.11659	16.9
163.27104	3.7
217.03378	3.5
219.04611	4.1
237.05630	16.7
258.05725	5.7
263.07208	31.9
278.08514	5.3
281.08362	12.3
284.77246	4.1
304.09882	100.0
329.72897	3.8
359.02557	3.8
403.51636	3.6
425.12646	28.1
464.69138	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	569.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01686	6.7
55.17739	9.3
56.96559	10.5
75.66785	7.5
85.02915	16.0
91.05460	12.3
99.04451	10.3
103.03923	25.1
105.07007	8.8
117.75482	9.3
119.08569	10.2
127.03896	15.2
137.56250	8.1
144.86407	9.0
147.11685	21.5
237.05690	19.8
263.07358	39.3
268.36282	11.3
281.08432	11.2
304.09900	100.0
425.12595	24.9
428.01599	10.0
558.61847	10.9
569.17285	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	569.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46663	7.8
67.84159	8.2
68.74392	7.4
70.06577	22.3
72.08111	10.3
86.09680	8.7
88.63989	10.7
91.71112	11.6
91.71620	10.8
120.08153	10.5
136.07462	14.3
141.16899	9.3
154.22060	9.5
196.26144	10.6
213.12277	12.3
236.98820	11.0
246.69908	10.2
340.13770	21.3
368.13193	14.5
519.19421	45.7
536.19983	15.0
537.20544	52.3
569.22156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	5.7
69.76949	4.5
71.93885	6.1
76.75584	5.6
77.00918	7.5
81.60986	6.0
89.72289	4.9
131.02000	5.5
142.03531	6.1
143.01904	12.3
161.02974	6.4
184.04602	23.8
270.91132	5.8
273.16876	35.1
291.18066	27.1
309.19241	19.0
314.19617	100.0
332.20502	26.4
333.19116	11.3
347.20532	13.6
355.22339	21.8
391.53693	6.7
453.23135	10.3
509.25726	40.1
562.43536	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	570.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93528	20.3
59.45020	9.1
62.95811	9.6
75.75277	10.1
85.16798	9.0
87.52023	8.8
91.71024	10.4
102.86316	9.5
107.04989	12.9
133.12331	10.6
141.75475	10.6
166.07770	17.8
182.07236	26.1
184.08818	16.3
197.56625	12.9
202.99768	12.3
206.97452	23.6
210.06815	14.9
224.98457	18.4
236.98514	15.1
248.00060	14.9
271.01514	15.5
295.00555	34.9
309.04572	18.1
310.99878	13.1
312.01007	13.3
313.01404	14.9
325.98630	20.7
329.00897	16.2
329.94946	12.6
330.02151	15.2
331.02618	24.0
335.02448	24.4
336.03030	66.1
340.00232	13.1
353.03574	25.7
354.04132	12.7
363.01846	47.4
377.05872	18.0
391.59589	11.8
398.06476	12.1
401.04657	17.5
428.03448	41.5
431.18948	11.5
442.07306	24.6
446.04459	13.2
467.91364	11.7
469.05893	100.0
487.06662	15.4
534.07739	77.9
552.08496	28.9
575.10327	98.6
593.11920	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	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25090	1.4
53.03929	4.5
57.03425	1.9
61.02899	2.0
69.03419	13.5
70.06575	6.4
70.54366	1.5
71.04966	6.2
71.40057	1.5
73.02897	3.8
74.26054	1.5
81.03404	15.3
85.02894	71.0
86.09684	3.5
91.05471	2.0
97.02878	36.9
99.04446	48.0
102.82651	1.6
103.03932	77.4
109.02866	24.1
120.08077	1.9
123.04436	7.9
127.03902	100.0
132.60609	1.7
133.73552	1.7
137.06007	14.9
145.04951	55.0
158.66946	2.0
160.47636	1.6
161.05945	2.7
163.06000	28.4
168.06532	1.8
183.88649	1.7
186.07607	3.3
187.05963	3.8
204.64769	1.7
247.08119	7.5
265.84653	2.3
271.08179	6.8
289.09006	4.3
294.53741	2.3
313.10767	5.2
337.10678	6.0
593.46021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	12.8
58.06584	5.9
70.06584	41.8
71.08623	4.9
78.11909	2.4
82.77498	2.3
88.07623	41.9
102.09174	30.4
105.03399	28.4
149.02336	16.8
149.05966	100.0
193.04907	17.0
234.28392	3.1
256.26321	78.1
297.07550	13.7
341.10153	66.8
570.34235	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	570.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	8.3
62.43689	2.6
63.11005	2.8
72.27735	2.7
77.36887	2.9
86.09689	45.9
90.34530	2.6
94.41123	2.9
124.99991	24.6
184.07333	100.0
227.89278	3.4
274.28778	3.1
274.56857	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	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51225	5.4
55.05496	31.1
57.03429	13.4
57.07059	11.8
67.05495	98.9
69.07067	33.9
69.47894	6.9
74.93703	6.8
79.05483	35.3
80.03793	6.5
81.07048	100.0
83.08622	15.2
89.06031	34.9
91.05460	48.5
93.07042	77.0
95.04938	7.0
95.08603	90.0
97.10161	9.9
105.07002	42.3
107.08563	55.1
109.06586	8.8
109.10146	39.2
116.83239	7.3
117.07039	14.5
119.08555	49.0
121.10152	32.0
123.11730	13.6
129.06955	10.7
131.08575	30.7
133.08617	20.6
133.10143	35.9
135.11702	28.7
143.08580	11.0
145.10144	25.5
147.11676	32.5
149.13235	18.5
157.10136	18.6
159.11719	23.9
161.13271	9.5
173.13252	21.2
175.14680	10.7
185.13228	13.2
187.14853	12.1
188.94685	9.6
197.13370	9.1
553.42328	9.1
571.43542	75.9
572.43756	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	572.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46088	4.2
58.73594	4.4
66.20504	4.1
67.87998	3.9
70.06576	40.7
76.83699	3.8
79.05489	5.4
81.07068	4.0
85.02901	7.3
86.09675	5.6
104.17776	4.2
106.06536	13.3
122.05998	4.7
134.06006	100.0
136.07494	7.1
137.22780	5.5
146.05965	8.4
164.07056	67.3
195.39310	5.4
204.06592	5.6
230.15816	5.3
237.10211	13.0
239.08128	7.8
253.09688	13.1
255.10942	6.3
265.09680	22.3
267.07495	9.0
267.11154	5.4
281.09189	18.2
283.10733	11.5
293.09171	14.8
295.10858	11.4
299.10260	5.9
309.08774	6.6
311.10443	11.3
327.09702	13.4
339.09778	38.5
341.11627	12.0
359.12485	15.1
371.12787	10.0
386.14798	8.5
416.16010	9.4
462.16519	19.6
490.16037	66.2
504.17844	6.0
522.18811	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	572.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
56.05018	1.6
57.03432	10.4
69.03412	5.0
69.07052	1.5
70.06568	3.5
71.04982	72.3
72.08149	1.6
73.02898	4.2
73.61487	1.2
75.04460	6.1
75.60181	1.3
81.03403	1.5
83.04971	9.4
83.06059	1.2
84.04520	1.6
85.02895	100.0
86.06081	3.3
91.05462	3.5
97.02874	7.5
97.80668	1.4
98.06046	2.6
99.04467	2.9
103.02643	1.5
109.02862	2.2
109.66428	1.4
111.04433	6.7
112.14927	1.2
114.43356	1.3
119.04902	2.2
121.06506	4.1
123.04436	5.6
124.41653	1.5
127.03899	3.0
129.05473	37.2
137.05963	28.2
138.57959	1.3
145.04976	2.8
147.06482	8.6
161.05980	3.2
164.09190	6.1
166.12254	4.1
171.25218	1.5
171.72586	1.5
178.08571	1.4
188.09131	2.0
188.43913	1.6
247.09686	4.6
267.61398	1.5
271.09717	3.9
311.12531	1.8
313.10764	5.6
339.12219	5.3
464.71909	1.9
528.06079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47047	4.5
54.42470	5.1
57.55314	4.8
60.11460	5.5
67.05489	14.1
69.07058	5.5
79.05464	5.6
81.07040	23.7
82.49492	5.5
83.06085	6.5
83.08592	6.5
84.04499	14.9
85.64793	5.4
91.05485	13.1
93.07034	14.1
93.46642	5.5
95.08591	9.9
99.01428	8.8
100.02172	6.0
102.74518	5.3
109.06489	7.9
112.02161	16.8
119.08586	7.8
121.10114	7.7
121.24061	5.7
126.03734	8.2
131.08591	8.5
140.05273	10.0
145.10126	6.8
163.11143	6.5
168.08421	17.8
169.52109	6.6
254.12029	35.9
270.10159	8.5
320.67862	8.2
340.19455	11.9
356.14008	17.2
425.21014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.1
58.99580	20.8
67.05497	7.0
69.07061	8.5
70.43111	2.7
76.02219	96.2
76.03970	2.7
79.05463	6.9
81.07046	12.8
83.04971	4.4
84.04497	19.4
86.99058	3.4
88.02179	2.8
91.05490	5.5
93.07031	10.2
95.04991	3.2
95.08601	7.2
105.07022	9.8
107.04944	3.6
107.08616	6.1
109.06549	2.9
109.10148	4.2
116.01656	22.2
118.81779	2.8
119.08578	4.2
121.06505	3.4
121.10158	4.2
123.19593	2.4
130.05020	5.8
130.29709	2.8
131.08582	4.1
133.10120	4.1
135.11662	3.4
140.58395	2.5
141.21999	2.3
142.03250	7.4
143.08586	3.2
144.01147	13.6
145.10106	8.0
149.09576	6.4
151.11130	6.0
159.11597	2.4
162.02197	33.6
163.11180	8.0
164.99786	2.9
176.31317	2.6
179.04839	100.0
198.47359	2.6
201.16327	3.8
217.94287	2.7
219.17448	3.0
233.05869	7.6
247.16985	6.0
263.16327	4.7
265.17978	24.4
308.09155	21.2
340.19473	6.6
425.20969	5.6
486.89590	2.8
572.26025	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	572.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	6.4
56.96558	75.8
58.06594	43.6
59.07363	17.0
59.65139	4.3
66.48811	3.8
81.73804	4.4
97.99190	9.8
100.11263	8.5
110.97613	7.6
128.98613	14.7
144.10191	94.2
146.99657	17.4
150.98415	4.8
152.00244	10.5
156.52176	5.8
168.03421	8.0
170.01270	24.4
183.09160	5.6
191.06297	5.5
193.02925	12.9
212.05957	8.6
238.03781	8.6
241.08627	23.7
256.04944	7.8
272.08240	5.6
274.09537	12.5
279.06482	6.2
283.52591	5.8
297.11050	12.0
313.20599	14.6
331.21454	14.0
336.21887	25.7
348.85672	6.1
354.23132	11.0
356.42014	7.2
377.24774	26.0
395.89157	7.4
456.29831	12.9
512.32574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	4.1
58.06581	19.7
59.07378	6.4
61.27448	4.0
61.89011	3.3
68.40295	3.1
70.06581	7.7
71.04973	10.4
88.07101	9.0
88.07619	100.0
88.11214	6.9
89.32900	3.7
96.61238	3.7
121.98815	4.3
133.10110	10.0
144.10161	4.6
207.79926	4.6
236.14888	19.6
240.73911	4.5
244.22034	5.4
248.49959	4.3
334.18546	11.5
441.98615	4.5
472.39780	5.2
479.08228	5.1
572.41608	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	573.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67274	4.2
55.05492	7.7
57.07057	24.5
57.21950	4.2
59.11891	4.5
61.01125	12.6
61.73294	4.6
67.05483	17.7
68.48238	4.8
69.05195	4.7
69.07043	19.8
71.08612	12.0
72.04514	29.3
73.34924	4.7
78.03777	31.0
80.05125	5.3
81.07049	47.0
83.08594	17.1
86.30692	5.1
88.02214	8.2
95.08616	27.9
97.10148	7.7
99.05563	6.6
99.99424	5.2
102.03763	53.1
109.10157	17.2
111.11732	10.7
114.03719	9.4
123.11711	11.1
131.06381	22.2
132.04808	27.8
145.76907	6.6
149.07437	100.0
200.52170	5.6
261.12701	13.6
324.32407	8.0
366.33569	36.5
387.46857	7.9
443.36615	71.6
555.42078	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	574.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09314	2.7
60.08160	9.2
71.07366	5.7
84.07357	3.1
86.09702	43.2
92.77645	3.7
92.97541	3.7
104.10750	4.4
105.72488	3.1
112.41006	3.4
124.99980	20.0
184.07335	100.0
184.08919	5.9
271.92545	3.8
300.29697	3.8
397.22186	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	574.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58874	2.4
50.82090	2.5
51.89016	2.4
60.04527	10.5
65.59879	2.8
68.05065	3.0
70.06583	58.3
70.06935	4.5
72.08165	4.0
84.04519	12.0
86.09699	55.4
86.10194	4.0
87.05608	14.1
97.38618	3.2
97.82592	2.8
98.06116	3.2
102.05536	3.1
102.18507	2.8
111.35581	3.2
112.08723	16.3
114.06708	5.3
115.08738	15.0
116.36272	3.2
128.10806	5.0
130.05084	10.9
136.06285	4.0
147.07706	11.1
152.07106	3.3
156.16010	3.5
158.09294	9.3
173.12859	60.7
173.14240	4.0
175.11920	7.9
201.12393	15.3
211.12041	6.9
232.90898	3.6
240.41954	3.6
286.15125	5.0
412.97470	3.8
428.25934	4.9
446.27371	11.0
574.33087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.2
58.06577	0.7
60.31997	0.5
62.96212	0.5
63.86943	0.5
69.07066	6.6
70.06554	1.3
70.54695	0.5
74.06079	7.3
82.06567	1.3
84.04485	1.6
84.26900	0.5
86.09698	100.0
87.10062	0.5
88.03976	1.2
100.07598	0.7
126.05523	2.4
129.06546	0.7
130.05014	1.3
132.10208	1.7
133.00636	0.5
144.06537	5.4
171.07639	0.8
187.14435	0.8
189.08682	4.1
199.07140	1.0
199.18039	13.9
202.29851	0.6
217.08228	9.5
227.17509	7.3
229.11890	1.1
231.68387	0.5
233.14919	3.5
284.16129	0.6
312.15817	0.8
314.08060	0.7
330.16595	5.9
342.20123	4.6
348.17624	3.1
359.36670	0.6
425.23816	0.8
443.24911	4.1
528.40802	0.6
556.33386	1.1
574.34857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17157	17.5
55.43659	22.8
57.07077	100.0
60.15882	19.3
71.08674	31.4
87.04477	39.1
89.06052	88.0
121.06532	73.6
123.70629	22.9
128.92444	23.3
133.08647	89.1
227.58798	28.3
233.19081	35.3
277.21548	27.2
317.95755	30.5
359.20514	55.5
360.48062	27.2
434.84692	32.0
443.27097	30.5
471.33325	56.2
565.04242	31.6
574.39807	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98274	8.4
53.32768	8.4
55.05503	25.1
56.05018	11.3
57.07070	15.0
60.04516	100.0
67.05486	41.7
69.07056	19.8
72.10156	8.9
76.51274	9.5
77.22601	10.7
79.05436	11.8
81.07040	48.0
82.06570	13.8
83.08631	20.2
86.06061	17.1
86.68945	9.3
87.04456	19.7
93.07018	15.7
95.08600	44.2
97.10145	18.0
104.10744	21.1
106.57025	13.0
109.10144	24.2
175.14822	19.2
193.15802	24.1
211.16937	14.0
211.26396	10.3
229.17941	22.4
239.16460	11.6
261.84991	11.8
264.26758	57.4
265.25305	18.5
282.27908	48.8
495.01556	11.5
538.45099	54.4
556.45728	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80696	8.0
60.72028	9.2
61.53889	8.5
70.06577	27.1
70.39659	10.6
71.34606	9.7
77.35624	10.1
84.04491	11.0
84.08127	17.9
84.10374	8.8
85.30965	8.4
86.09705	22.8
92.83268	9.4
109.98976	12.4
198.47662	13.3
234.90657	12.1
312.32578	13.0
319.02597	14.4
455.77991	12.0
575.17145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54205	8.3
50.56101	12.6
53.81284	10.8
54.25632	9.1
60.66754	9.6
63.45155	9.5
73.21616	9.6
134.91895	11.7
164.23817	12.1
184.64050	10.4
212.06808	12.4
353.76459	13.9
575.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.3
69.07057	7.5
70.06583	11.5
74.06074	11.5
84.04498	10.2
85.64030	0.9
86.09693	100.0
98.06037	2.4
101.07137	2.2
112.07590	4.0
129.16621	1.0
130.04987	17.3
130.08618	14.7
141.06586	7.0
147.07626	27.3
157.09758	2.9
171.66846	1.0
175.10773	5.6
183.15018	1.1
185.09206	13.2
187.14395	1.3
196.05782	1.1
199.18054	2.4
203.10237	5.1
206.11353	1.1
226.15515	1.2
260.16022	18.1
298.17526	15.6
316.18637	11.7
331.73547	1.1
343.19870	2.0
363.32291	1.4
373.24597	2.0
401.27551	1.6
429.26843	4.4
516.91382	1.0
584.64087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37465	7.0
60.15387	9.2
70.22373	8.3
91.71707	13.3
108.13795	8.4
143.04416	9.7
216.28922	9.7
216.56372	9.6
246.31725	11.9
246.61993	10.6
263.69574	10.5
371.53622	10.7
524.86426	12.2
575.39429	100.0
603.89740	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	576.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22554	0.9
51.43113	0.8
73.88558	0.9
74.13957	1.0
74.51477	0.9
105.32281	1.0
106.05978	1.0
151.69736	1.2
153.66284	1.1
182.67679	1.2
194.93352	1.2
234.01964	100.0
237.89781	1.2
252.02071	7.3
270.03192	7.4
275.03754	10.4
275.88092	1.2
293.04755	6.3
294.03186	4.1
316.06265	2.1
335.05829	1.4
381.07846	4.2
396.06433	1.2
407.32053	1.3
414.07434	5.9
452.82294	1.4
576.12567	4.0
594.68311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16039	0.6
60.04529	1.5
70.06586	3.8
71.37557	0.7
72.04514	1.2
76.40632	0.7
78.03819	1.0
84.04513	2.7
86.09702	4.6
89.03902	5.7
91.71551	1.2
95.04967	0.8
102.03785	1.4
102.05533	1.6
114.03813	1.0
117.03375	15.2
117.04178	0.9
125.37885	0.8
131.06396	0.9
132.04854	1.1
134.03670	1.3
142.08640	1.0
145.02840	36.5
145.21414	0.8
149.06107	5.9
149.07343	6.8
158.05992	4.9
162.05638	1.0
163.03925	1.2
177.05455	100.0
178.05792	1.0
186.05487	25.4
248.09161	8.0
261.12604	5.0
325.12131	21.5
325.15790	1.3
378.77448	0.9
428.26749	0.9
437.17557	3.6
446.14114	7.5
460.75195	1.0
558.19452	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76406	0.9
59.79502	1.0
70.06590	4.5
72.04541	1.6
72.08157	1.3
82.87004	1.1
86.09692	3.2
89.03916	7.2
91.05497	1.2
91.71625	1.3
102.03760	2.8
114.03846	1.2
117.03363	10.9
118.67250	1.5
131.06384	1.5
132.04820	1.7
135.04517	1.5
145.02840	36.3
145.03923	1.9
149.06081	6.9
149.07483	5.7
158.06082	4.5
177.05449	100.0
178.05855	1.7
186.05466	25.2
187.05913	1.6
248.09142	8.1
261.12735	5.2
325.12112	22.9
361.08807	1.6
437.17328	6.3
446.13910	8.6
458.30939	1.3
467.87210	1.6
558.19482	2.2
599.14655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30670	1.1
70.06574	1.4
70.08666	1.1
71.66403	1.0
77.63737	1.1
79.05492	5.3
91.05506	2.3
95.04968	3.1
98.93576	1.3
99.49815	1.4
103.61183	1.4
106.06546	11.7
107.04953	58.2
109.02174	1.4
109.02865	5.1
120.01228	1.3
134.05992	10.8
135.04419	30.7
137.06050	1.4
148.07524	1.3
152.07065	100.0
156.90230	1.2
211.07373	1.7
213.09248	1.3
320.70166	1.5
335.58099	1.5
559.20752	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	576.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06832	10.4
57.07073	100.0
69.58317	8.5
86.09722	18.4
87.04458	13.7
89.06043	67.6
91.05450	12.3
104.10727	58.0
117.45370	9.4
121.06490	30.1
130.08691	14.4
133.08574	59.7
143.11740	9.4
161.50266	10.5
165.09125	11.8
177.11180	14.5
233.19060	13.7
262.20227	10.5
263.87726	11.6
277.21603	23.2
357.00946	13.5
386.67075	10.9
518.32538	16.3
559.38165	15.9
577.86841	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	577.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56097	4.0
58.73392	4.6
59.02264	4.4
66.02199	5.0
105.03358	6.8
106.06558	5.3
109.65952	6.4
111.05564	7.8
120.04446	26.5
126.06660	17.5
132.04445	36.5
134.06046	15.4
151.06116	10.9
168.08847	8.7
197.54591	6.2
202.09843	14.6
216.11417	8.6
230.09244	9.5
259.11880	100.0
278.89047	6.7
301.13937	7.9
302.12500	32.9
445.44601	6.4
577.23651	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	577.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31912	9.8
67.54298	10.1
81.97648	8.1
82.14077	8.0
84.32125	8.9
89.26651	9.6
89.29411	8.1
105.61381	8.7
111.05605	11.4
111.97371	10.1
114.42899	10.0
120.04455	31.7
126.06638	18.2
131.50233	11.0
132.04410	36.1
134.06050	24.9
151.06200	17.4
199.20757	10.3
202.09755	24.6
232.10889	9.7
259.11893	99.8
284.11420	11.0
302.12469	20.2
329.09940	10.8
415.94675	11.0
524.73663	10.6
535.21936	12.9
577.23730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25708	7.5
65.03920	11.7
76.87728	8.7
79.11404	8.0
91.71590	10.1
116.82842	8.5
117.60609	9.7
136.21657	9.7
149.02333	87.1
149.03387	11.1
193.04926	56.0
216.23450	9.1
577.13483	21.5
577.27496	100.0
599.06616	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	577.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91210	1.5
55.05498	5.6
57.00293	1.3
60.04512	6.1
70.02928	1.7
70.06583	5.6
70.91319	1.5
72.08148	100.0
73.68017	1.7
84.08132	2.2
89.75449	1.7
114.09171	2.0
120.08028	1.9
130.06535	2.4
132.08092	2.6
141.10260	2.2
144.08095	2.1
146.06013	9.0
159.11241	9.2
169.09732	5.2
175.80774	2.0
187.10768	7.9
188.07024	18.8
205.09729	10.1
243.46074	1.8
246.12563	2.7
268.16599	7.4
292.12811	18.7
324.19510	2.1
373.20844	5.7
465.65759	2.3
521.63855	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	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.4
53.03894	2.5
53.15816	2.3
53.19093	2.5
53.22921	2.5
53.87188	3.0
56.42519	2.4
57.07051	5.1
66.30067	2.8
67.05489	6.1
69.07042	6.7
71.08611	3.5
81.07047	46.2
91.05466	4.4
93.07030	7.8
94.11066	2.8
95.08565	14.2
96.48295	3.2
96.92074	3.2
97.10160	5.1
105.07011	3.3
107.04960	10.5
107.08550	4.6
109.10152	4.1
135.11707	5.1
137.13205	3.3
148.41264	3.1
157.10144	8.8
355.93927	3.5
397.34601	100.0
398.34851	4.3
415.35724	5.9
577.36536	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	578.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63373	2.2
55.07806	2.2
57.07057	6.5
58.49405	2.6
60.08156	7.3
71.07372	2.5
74.79051	2.6
80.53188	2.5
82.09248	3.1
86.09702	13.1
91.71191	2.7
104.10046	4.9
104.10740	100.0
110.58766	2.8
163.67871	3.2
201.00159	5.3
226.25032	3.4
229.02403	3.3
296.87781	3.4
316.36508	2.9
328.92410	3.2
578.32916	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	578.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88832	5.7
76.18779	5.6
79.33527	5.5
92.37538	4.9
104.10727	100.0
104.79575	6.1
105.11128	8.6
142.85902	5.5
152.12946	5.7
154.76387	6.4
160.43175	5.3
177.12492	5.8
178.39426	6.1
182.84036	5.7
196.55116	6.0
237.60918	6.0
285.91333	6.2
311.71503	7.8
325.70465	7.1
361.48718	6.2
405.12256	11.0
408.28809	7.4
409.29147	48.6
413.09766	7.4
442.01221	6.2
470.76743	7.3
491.41260	6.0
496.36078	86.3
496.43079	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	579.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60265	12.3
55.37144	13.0
56.66760	11.8
67.31286	14.6
96.44076	16.7
100.08546	16.0
163.41827	15.7
176.81381	17.3
303.77274	17.4
304.10074	18.4
334.23346	19.4
345.02890	50.4
350.03564	25.4
368.04462	56.4
391.05948	100.0
407.16113	17.1
505.95728	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	580.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26120	2.0
55.01867	14.0
63.46601	2.1
70.06582	4.3
83.06107	5.6
84.04491	33.6
86.09702	2.6
91.05461	3.0
100.76976	2.7
100.96855	2.6
112.03971	10.3
119.04971	8.0
121.02802	4.0
129.06541	4.1
130.05006	38.0
145.06099	3.4
147.04382	19.6
147.07658	12.7
165.00085	4.5
179.01605	32.5
197.06021	3.2
213.03674	6.8
221.04121	6.5
226.06256	9.0
231.04820	3.9
239.05339	7.4
241.03181	11.6
254.05742	7.7
258.10767	3.4
259.04254	8.3
267.04745	16.6
269.02747	7.4
272.06802	5.4
277.03162	5.7
285.05539	5.7
287.03705	100.0
289.05450	4.6
295.04276	25.2
305.04816	6.0
313.05276	35.1
331.06332	9.9
358.07361	17.8
416.08084	18.2
433.10300	6.8
451.11496	31.1
487.12195	3.5
580.16003	5.6
592.86536	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	581.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11446	2.6
53.03941	4.2
56.12456	2.2
57.03421	8.2
61.02919	2.6
62.46495	2.2
69.03423	6.0
69.41753	3.1
70.06557	4.7
71.04978	3.0
73.02898	5.4
81.03410	6.8
85.02896	96.1
86.09670	3.1
91.05486	3.4
97.02885	13.7
99.04455	42.7
103.03933	100.0
105.07018	5.7
107.04986	5.4
109.02878	23.6
127.03922	65.4
133.06480	7.5
137.05991	9.7
145.04948	61.4
150.06755	12.1
150.27057	2.7
151.07532	74.3
161.05994	21.8
163.05989	17.3
165.09094	74.0
165.10480	3.4
187.06046	4.7
188.48134	3.0
203.07010	12.3
205.07112	3.4
227.06970	5.2
229.07108	3.7
247.08083	12.1
299.12772	12.4
341.13715	14.2
365.13980	9.5
380.25473	3.4
383.14929	10.9
405.77783	3.4
445.91315	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	581.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73560	2.8
55.05500	10.5
72.08145	100.0
83.04989	4.3
84.04496	7.5
84.58971	3.8
89.34456	2.9
91.76536	3.1
94.35554	2.9
96.41245	3.0
98.07616	2.9
106.65068	3.8
111.90192	3.5
113.63905	3.7
119.25430	3.2
145.37297	3.5
176.08165	7.9
190.09773	5.9
204.07660	6.7
218.07257	4.4
218.09140	16.9
219.07687	6.9
236.10291	4.0
244.07199	4.2
246.08667	25.0
263.11343	11.3
274.08136	8.0
290.23663	3.7
291.10944	6.3
303.14420	4.7
308.13525	5.5
328.12823	4.4
362.18216	9.5
373.14865	12.3
390.17618	40.1
405.18521	4.9
407.20313	22.0
422.21445	10.7
437.16833	4.3
450.20816	22.7
467.00577	4.5
482.82437	4.2
521.27264	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	581.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74438	13.5
56.19488	13.1
56.79156	13.3
67.05499	20.5
76.99110	14.1
217.06009	18.1
243.25223	17.4
262.44833	19.4
274.75375	19.2
326.22403	25.8
395.24924	19.6
581.36139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90294	2.2
61.35203	2.0
63.67945	1.9
78.01875	2.4
83.01135	2.6
85.29845	2.3
86.09708	2.8
95.73007	2.2
104.10726	18.5
112.04898	2.2
127.03698	3.7
138.00284	2.7
155.06804	4.6
243.11934	2.7
485.97125	2.8
581.36536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73137	14.8
51.80055	12.9
54.78854	15.4
55.05499	37.7
56.71372	13.2
57.07061	24.8
62.09520	14.2
63.72563	14.3
67.05497	45.8
69.07060	35.3
74.90334	17.1
81.07042	51.3
83.08598	26.0
91.05479	48.7
93.07040	100.0
94.97589	16.6
95.08582	58.5
97.06555	23.4
98.23086	16.5
100.28756	18.1
105.07034	82.1
107.08594	51.8
109.10168	37.6
119.08564	71.3
121.10134	73.4
123.08041	24.8
131.08537	34.7
133.10168	56.5
135.08092	17.3
139.02560	18.1
142.07770	29.3
143.08554	34.5
145.10129	67.3
147.11679	20.0
155.08585	28.1
156.09363	19.9
157.10130	41.8
158.89786	21.8
159.11578	20.8
166.68779	20.8
167.10680	41.1
171.11635	24.8
175.14795	23.5
183.11760	21.5
187.14883	21.0
221.15225	40.4
233.13139	24.6
235.14781	25.1
409.29135	21.7
581.39801	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.4
59.38707	15.7
62.91354	17.5
67.05492	60.8
69.07062	48.0
79.05492	36.0
81.07041	63.6
91.05465	41.9
95.08581	57.2
96.41217	20.0
105.07037	28.4
107.08569	41.3
112.40784	18.2
119.08582	22.3
120.95465	17.6
121.53274	19.1
127.66009	19.6
129.06981	21.5
129.66312	21.5
145.10184	24.4
147.11868	22.2
159.11745	21.7
169.10196	28.2
171.11794	34.0
181.10120	26.2
186.65895	21.8
197.13411	27.9
247.06430	21.1
365.62540	26.0
400.82996	23.1
581.41809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72675	17.5
55.05496	55.5
65.45015	23.5
67.05486	81.0
69.07065	49.9
73.49200	18.3
79.05460	45.3
81.07047	63.5
82.17158	21.4
82.52856	22.5
83.08585	39.7
91.05458	52.0
93.07024	67.4
95.08598	67.9
105.07028	90.0
107.08663	40.1
109.10162	23.8
119.08579	76.8
121.10172	48.4
129.07022	33.0
131.08589	32.2
133.10147	77.6
137.01433	27.0
143.08607	29.8
145.10097	41.2
157.10146	54.7
159.11699	35.2
171.11760	29.8
179.32027	20.7
197.13307	33.6
206.69081	23.9
239.18002	25.8
581.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40232	4.4
52.32924	4.4
53.54245	4.4
55.01862	8.0
55.05499	8.6
55.59610	5.0
57.03423	21.5
60.33938	4.7
67.05507	47.6
69.07067	11.3
79.05484	45.0
81.07050	35.4
83.08628	9.1
88.42095	5.2
91.05482	65.8
91.71021	10.1
93.01608	5.2
93.07040	45.8
95.04963	20.4
95.08606	27.0
105.07008	27.8
107.08591	25.6
107.71352	5.9
109.06541	12.4
117.07017	17.1
119.08588	14.8
121.10181	14.0
124.35721	5.1
126.22052	6.4
129.06935	6.9
131.08566	28.3
133.10152	10.1
135.08029	55.1
135.11711	6.8
145.10115	11.9
147.11772	6.4
149.09636	11.4
157.10136	11.9
170.02330	6.1
173.13304	19.1
175.11166	13.6
191.14285	100.0
229.15791	8.8
247.16829	10.0
494.18317	6.8
581.42010	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	581.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	74.4
59.18092	19.6
65.29394	21.8
65.98272	21.9
67.05495	75.1
69.07050	21.5
69.72589	19.7
79.05478	62.4
81.07057	84.7
83.08614	62.9
83.85191	19.3
91.05468	88.4
93.07033	100.0
95.04942	29.0
95.08574	55.0
105.07046	34.8
107.08619	42.4
117.06988	22.2
119.08594	42.3
121.10136	47.7
131.08592	31.0
133.10164	31.2
145.62370	23.9
148.62492	28.5
149.09605	41.6
169.03181	22.4
175.07799	23.5
183.77951	23.6
201.16417	27.6
306.11551	30.5
581.41693	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.1
55.05495	19.4
57.03417	11.6
57.07074	3.8
67.05495	52.5
69.07054	22.4
71.41949	3.5
77.61182	4.0
79.05487	34.3
81.07043	60.8
83.08614	12.3
85.06515	4.1
91.05471	41.8
93.07037	44.1
95.04973	12.3
95.08611	33.0
97.06507	5.8
97.10191	6.2
104.00655	4.1
105.07013	33.2
107.08569	29.2
109.06524	6.2
109.10164	14.1
110.90914	4.0
117.06987	27.8
119.08591	30.9
121.10158	21.7
123.08067	6.9
123.11703	4.7
125.09631	4.9
129.07010	20.0
131.08578	32.4
133.10126	17.4
135.08073	6.0
135.11678	11.3
141.07031	10.8
143.08569	19.1
145.10115	19.2
147.11667	18.2
149.13220	5.7
155.08566	20.1
157.10074	27.3
159.11679	21.6
161.13278	8.2
167.08501	11.5
169.10083	24.0
171.11725	13.9
173.13310	12.1
179.08646	5.0
181.10120	14.6
183.11697	17.7
184.26236	4.5
185.13191	11.3
187.14787	9.1
191.14249	8.5
193.10136	4.9
195.11636	12.3
197.13274	16.1
199.14799	9.4
207.11757	13.4
207.34552	5.7
209.13232	13.3
211.99155	5.3
221.13353	5.3
223.14789	8.4
251.18077	5.7
281.22971	4.8
296.86279	5.0
489.37396	12.5
563.41083	7.5
581.41998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48861	4.0
51.89403	4.4
54.50628	5.2
69.24494	4.6
74.54670	4.3
79.20836	4.6
106.74706	5.6
135.35530	5.5
149.26550	6.4
209.10751	18.8
237.10147	6.1
238.11014	11.7
269.12891	8.5
297.12302	100.0
333.20764	7.8
390.74213	6.4
410.24490	7.4
509.45016	6.4
583.25372	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	15.8
56.79007	15.8
67.05472	22.0
69.07064	29.6
69.70499	15.5
79.05484	29.9
81.07043	48.3
85.97508	14.2
91.05484	59.5
93.07041	43.9
95.08611	41.9
101.05550	17.7
102.98277	18.4
105.07029	82.2
107.08586	44.4
109.10153	19.5
117.07057	19.8
119.08556	100.0
121.10138	54.0
131.08488	27.3
133.10120	39.1
142.07863	18.9
143.08566	39.9
145.10106	58.4
147.11649	28.6
149.09570	28.7
157.10184	70.6
159.11707	27.5
164.21060	23.6
167.10629	34.4
171.11687	28.4
173.13277	30.3
185.13278	27.4
189.33038	24.1
197.13332	20.4
207.11748	32.5
209.13132	24.7
221.15372	43.7
223.14787	33.1
280.91660	20.9
583.41113	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73365	6.9
55.05501	21.8
57.07063	9.6
59.37789	7.9
67.05495	35.2
69.03421	9.3
69.07063	25.9
79.05477	29.1
81.07044	40.4
83.04962	12.1
85.06504	7.8
91.05464	53.0
93.07027	56.1
95.04960	20.5
95.08603	45.2
105.07030	100.0
107.08587	49.5
109.06572	11.5
109.10144	26.6
111.73677	10.4
117.07014	18.4
119.08582	93.1
121.10154	53.4
123.08064	13.1
124.57967	8.9
129.06989	24.8
130.07835	10.8
131.08540	46.6
133.10104	48.7
135.08095	13.0
141.06967	13.0
142.07771	27.7
143.08580	54.8
145.10104	49.7
147.08022	14.7
147.11723	15.1
155.08521	21.5
156.09366	26.0
157.10127	55.6
159.11710	32.4
163.11205	11.7
165.09113	28.0
167.08577	12.6
169.10138	27.5
170.10947	14.6
171.11717	31.1
173.13255	30.2
178.07863	9.6
179.08534	20.2
179.19676	10.3
181.10138	14.0
183.11726	35.0
185.13297	16.8
187.14941	14.3
193.10123	22.9
194.10896	11.6
195.11607	20.0
197.13260	24.0
199.14870	12.9
203.14342	12.5
207.11719	11.9
209.13235	27.8
221.13420	12.5
221.15401	43.9
222.14035	11.8
232.12566	10.7
235.14954	17.2
237.10475	9.4
260.75040	11.5
261.16412	12.3
276.83398	11.2
280.04462	12.2
307.47168	10.4
342.22778	11.7
583.41669	45.0
614.57599	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36187	12.5
66.48918	16.0
66.49316	11.8
67.05494	28.4
69.07039	25.5
79.05484	24.8
81.07040	30.3
83.04961	17.9
91.05477	61.9
93.07036	45.4
95.08601	33.3
105.07019	100.0
107.08602	43.2
109.10162	17.9
119.08557	90.1
120.14767	14.5
121.10138	49.1
128.06178	21.3
131.08543	18.8
133.10107	40.9
143.08540	34.7
145.10107	44.4
151.07484	17.9
155.08513	22.3
156.09395	17.2
157.10136	62.3
159.11732	20.5
167.10762	21.6
169.10106	27.3
171.11708	21.2
173.13274	22.8
183.11671	25.7
199.14737	17.7
207.11734	23.1
209.13158	24.5
213.27882	16.2
217.10014	16.7
221.15388	24.5
565.13770	17.7
583.41425	29.4
602.90735	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49590	13.2
55.05500	21.0
59.38719	11.1
60.98986	9.0
67.05495	38.8
69.07064	27.9
70.88222	10.4
73.44291	12.4
77.97304	11.3
79.05492	22.1
81.06628	13.2
81.07027	64.5
85.06536	18.6
90.11198	11.8
91.05468	49.9
93.07019	90.7
94.14302	14.1
95.04908	19.5
95.08594	64.4
104.62350	14.3
105.07022	100.0
107.08597	83.1
109.10116	28.9
115.05357	13.1
117.06995	31.1
119.08586	96.0
119.81206	11.7
121.06586	11.7
121.10123	72.2
123.08067	20.5
128.06235	24.6
129.06981	22.5
130.07765	12.8
131.08545	47.6
133.10150	53.5
135.08076	15.3
135.11752	20.6
142.07816	24.1
143.08615	47.2
145.09125	13.5
145.10126	68.8
147.11676	28.4
155.08513	22.6
156.09363	16.6
157.10158	50.9
159.11765	41.1
167.10696	67.4
169.10130	30.3
170.10895	15.3
171.11713	35.1
173.13272	23.4
179.08615	17.3
183.11725	31.3
185.13280	29.9
195.11726	24.2
199.14766	32.3
206.11090	15.2
207.11711	25.3
209.13223	20.2
221.13237	27.3
223.14851	20.2
235.14925	17.0
237.06490	15.6
269.95673	15.0
527.54572	14.3
583.41205	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.5
57.07066	17.2
67.05489	40.8
69.03383	9.9
69.07048	33.5
75.05972	9.2
79.05479	26.2
81.07037	62.8
83.08626	12.1
85.06496	10.0
91.05482	56.7
93.07040	67.6
95.04960	14.4
95.08606	42.3
105.07025	87.4
107.08588	46.4
109.06557	11.8
109.10165	27.8
117.07015	28.4
119.08583	100.0
121.10159	44.5
123.08100	11.2
128.06216	20.6
129.06984	14.0
131.08575	35.4
133.10159	53.5
142.07770	26.1
143.08571	28.6
145.10132	55.7
147.08096	12.1
147.11717	12.0
155.08548	27.7
156.09364	27.9
157.10112	64.7
158.10887	18.8
165.09073	21.2
167.10657	12.9
169.10028	24.6
171.11694	34.9
173.13289	27.1
179.08592	18.7
181.10161	17.1
182.10873	14.8
183.11697	23.9
185.13295	16.9
195.11694	21.2
197.13335	31.7
199.14803	25.8
203.14453	12.2
207.11711	13.9
209.13293	31.1
221.13240	24.6
221.15443	39.6
247.14771	17.3
263.17798	14.7
265.19516	13.2
275.37418	12.9
298.19177	12.6
565.39996	15.1
579.73773	12.9
583.41370	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01316	17.1
53.59351	15.8
55.05487	15.4
57.07066	24.0
60.39256	16.1
62.41958	16.7
67.05475	35.8
72.35656	19.2
79.05473	26.1
81.07035	39.2
88.75759	18.8
91.05472	25.9
93.07025	79.1
95.08595	51.8
105.07018	55.9
105.66167	18.7
107.08578	24.4
131.08585	39.2
133.10181	41.8
137.73991	24.3
138.23280	21.3
143.08615	40.9
145.10120	45.7
157.10188	36.9
165.09187	34.0
180.12218	21.9
189.47104	20.7
197.13304	25.3
221.15399	51.3
225.39223	22.3
269.86960	22.2
413.63666	24.6
583.41620	100.0
585.32990	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77139	9.5
56.78712	10.5
57.07066	21.5
57.19640	11.0
59.04953	9.6
62.81387	10.7
67.05495	25.8
69.07039	23.9
77.01329	14.2
79.05502	28.9
81.07042	51.6
81.40182	9.9
83.04994	13.5
83.83560	10.5
91.05444	58.2
93.07033	53.5
95.08592	30.3
105.07019	92.8
107.08588	66.5
109.10152	20.1
117.06989	23.8
117.92973	11.4
119.08591	100.0
121.10110	61.0
128.06224	21.9
129.06995	21.6
131.08571	44.8
133.10197	21.0
139.15730	12.8
141.06982	23.5
142.07794	30.1
143.08546	57.7
145.10136	53.0
147.11633	18.2
155.08598	21.5
156.09322	19.2
157.10124	70.5
159.11749	18.8
165.09122	15.5
168.09378	12.9
169.10158	29.4
171.11612	22.0
173.13214	34.6
179.08585	12.7
180.09233	18.1
181.10052	25.3
183.11635	24.1
193.10173	14.6
194.10933	20.1
195.11719	22.8
197.13370	15.6
199.14873	18.5
207.11546	19.9
209.13234	32.6
221.13362	16.5
221.15387	32.8
274.64240	12.7
283.20575	15.4
583.41119	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68544	20.5
55.05498	23.9
64.53926	23.0
67.05494	36.1
67.24075	22.9
69.07069	44.4
71.43829	21.7
72.69108	28.1
73.05293	22.3
75.19688	24.0
79.05502	28.9
81.07039	58.4
89.06013	38.4
91.05466	28.3
93.07037	100.0
95.08567	29.5
105.07012	52.0
107.08588	66.2
109.10187	32.1
119.08570	62.4
121.10133	55.5
131.08601	40.0
133.10100	36.8
143.08484	38.5
144.34612	29.6
147.08009	34.4
151.07555	35.5
157.10155	36.7
159.11604	36.1
165.09102	60.9
171.11711	50.3
183.00842	33.2
199.79015	27.2
203.14320	27.4
221.15396	74.2
261.55939	33.0
279.75040	29.1
434.25320	29.4
491.34805	32.2
527.75153	28.8
583.41357	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	17.2
67.05486	15.2
68.67533	9.9
69.07051	15.2
76.43882	11.1
79.05461	12.1
81.07044	53.0
89.06056	11.9
91.05473	38.4
91.71651	21.2
92.84344	11.7
93.07040	44.3
95.08614	36.4
105.07037	45.0
107.08582	42.6
109.10122	11.7
117.07007	13.9
119.08583	66.7
121.10162	43.5
123.08066	21.0
131.08636	22.6
133.10124	52.0
135.11623	13.2
137.09599	24.8
145.10150	42.4
147.08034	36.7
155.44730	12.1
156.09389	14.9
156.78978	12.0
157.10165	27.7
159.11649	22.4
161.47810	12.0
165.09114	52.7
169.10057	12.0
171.11754	25.4
173.13245	27.1
178.93536	12.7
183.11627	14.4
197.13327	18.9
203.14359	26.0
206.92952	14.5
221.15337	100.0
223.14847	13.7
401.94379	13.4
461.97128	16.5
477.32605	14.3
491.35303	20.0
583.41425	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	583.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	41.9
55.73502	9.4
57.03429	16.7
57.07059	16.5
67.05494	100.0
69.07050	38.1
79.05478	75.8
80.87447	11.5
81.07044	91.7
83.08605	21.6
89.06035	13.5
90.67363	9.4
91.05465	86.5
93.07031	88.5
94.03799	10.5
95.04961	18.0
95.08585	64.4
97.06522	11.7
105.06993	62.1
107.08598	54.8
109.10159	28.6
117.06992	28.8
119.08570	61.0
121.10144	41.5
129.07045	21.4
131.08578	54.8
133.10130	45.2
135.11717	20.2
141.06915	12.9
143.08551	18.9
145.10136	34.1
147.11699	26.1
150.92465	11.1
157.10144	29.7
159.11627	23.7
171.11710	19.8
173.13353	22.3
194.04848	14.6
205.94243	12.1
230.81590	12.8
242.06468	12.9
259.20572	16.1
307.22772	21.6
353.43112	13.2
379.44382	14.4
457.75244	12.2
543.69977	15.0
583.44122	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
55.05504	35.4
57.03415	13.5
62.58830	4.0
65.03928	10.3
65.68600	4.3
67.05497	93.0
68.38408	5.0
69.07058	29.1
69.87966	4.0
71.04958	6.9
71.08582	4.4
76.72960	4.3
79.05486	75.1
81.07056	100.0
83.08600	13.9
86.13488	5.2
88.87202	4.9
91.05469	81.8
91.71017	10.7
93.07036	85.3
95.04945	9.3
95.08600	58.3
97.06538	7.8
97.10149	5.6
105.07019	82.8
107.08585	48.4
109.06432	5.3
109.10152	31.8
117.07014	26.4
119.08584	56.2
121.10151	45.0
128.91309	4.9
129.06976	19.2
131.08557	40.6
133.10133	56.8
135.11710	20.1
143.08562	21.0
145.10107	38.2
147.11682	40.6
149.13286	8.2
155.08521	8.7
157.10146	24.4
159.11668	26.9
161.13304	14.3
163.14740	5.3
169.10146	11.3
171.11714	16.2
173.13225	16.4
175.14809	11.4
183.11691	9.3
185.13280	15.4
187.14920	10.3
210.88535	6.4
213.16347	15.4
215.17928	5.8
231.06267	6.2
231.17474	14.5
241.19475	7.5
259.20602	26.2
307.22675	20.7
333.24319	12.2
509.40649	5.3
521.22150	6.9
565.42365	13.9
583.43414	68.4
607.01648	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55986	4.8
53.03963	4.5
54.21776	5.2
55.01868	8.5
55.05505	30.3
57.03424	9.5
57.07061	9.7
58.09908	4.8
59.54255	5.6
65.03929	4.7
67.05169	9.6
67.05498	99.3
69.07050	28.3
74.36393	5.0
76.66939	5.9
79.05482	51.4
81.07045	83.8
83.05003	8.3
83.08607	7.3
89.06061	6.8
91.05473	71.9
93.07041	51.3
95.04976	10.1
95.08595	61.2
100.53755	5.4
105.07017	64.3
105.95822	5.2
107.08585	37.1
109.10154	26.6
117.07019	24.3
119.08576	57.5
121.10136	34.7
129.06982	17.4
131.08545	39.7
132.62202	5.7
133.10129	66.9
135.11700	26.0
140.50580	6.4
143.08531	28.4
145.10095	33.0
146.78688	5.3
147.11717	35.6
155.08585	7.0
157.10143	36.0
159.11717	26.6
161.13266	14.5
168.61339	6.1
169.10173	15.4
171.11621	32.3
173.13242	14.5
175.14792	8.0
183.11720	14.4
185.13261	13.1
187.14851	14.7
189.16405	11.2
196.43196	5.7
197.13330	9.7
199.14774	8.2
203.17897	7.4
209.12926	6.7
213.16437	23.7
215.18164	7.5
222.66003	6.0
231.17450	14.4
295.39438	7.1
335.25748	18.6
369.24445	7.1
384.22928	7.5
488.04459	7.8
491.38388	7.5
533.24512	7.3
565.42328	8.0
583.43506	100.0
600.04260	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	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26274	3.3
52.06363	2.9
53.00321	4.0
53.03934	5.6
54.40948	3.0
55.05509	29.4
57.03446	15.0
57.07080	6.3
65.03951	6.2
67.05494	88.1
67.05822	6.3
69.07064	34.0
71.04981	5.0
79.05486	78.6
81.07049	94.3
81.76685	3.5
83.04969	4.2
83.08605	22.7
85.64483	3.6
91.05474	75.7
93.07030	100.0
95.04985	17.4
95.08599	69.8
95.09151	6.7
97.10204	6.0
105.07026	73.8
107.08598	38.6
109.10163	23.1
117.07024	29.8
119.08567	54.6
121.10138	54.8
121.10841	4.9
123.11733	7.5
129.07056	18.5
131.08560	42.3
131.09329	3.8
133.10141	46.1
135.11746	18.5
141.07080	6.4
143.08646	15.4
145.10124	41.6
147.11699	33.9
149.13312	17.5
155.08609	6.1
157.10162	21.0
159.11685	22.6
161.13313	19.4
163.14838	4.7
169.10188	8.5
171.11765	20.2
173.13335	21.2
175.14848	10.7
183.11716	7.1
185.13342	17.6
187.14790	4.9
195.11835	6.1
197.13399	6.5
203.18068	6.3
211.14888	5.5
213.16591	5.6
215.18053	7.4
241.19666	10.4
259.20511	22.9
305.21252	6.2
307.22705	27.0
333.20673	5.6
333.24399	14.2
565.42584	7.3
583.43573	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	583.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	5.2
54.59647	4.1
55.01887	3.8
55.05512	31.5
57.03424	13.8
57.07081	7.9
62.09296	3.5
65.03957	4.8
65.48760	4.2
66.98823	3.7
67.05172	7.0
67.05497	86.3
69.07051	31.5
71.04995	5.1
79.05478	55.3
81.07048	90.8
83.08617	16.3
85.06529	7.5
85.69872	4.5
91.05468	76.1
91.12952	4.5
91.71661	12.4
91.90880	4.4
93.07037	67.0
95.04957	9.5
95.08603	55.0
95.97219	4.3
96.00170	4.7
97.06503	8.4
97.10162	8.2
105.07024	72.3
107.08607	33.9
109.10164	26.9
117.07040	30.0
119.08573	51.9
121.10127	36.2
123.08044	6.1
123.11703	10.4
125.09627	6.4
128.06190	5.0
129.06967	24.2
131.08575	41.0
133.10114	61.1
135.08052	4.9
135.11684	23.0
141.06950	6.7
143.08548	22.6
145.10120	51.1
147.11673	47.6
149.13297	10.3
154.80164	4.6
155.08598	8.7
157.10153	22.6
159.11679	23.5
161.13275	13.5
169.10106	10.5
171.11711	25.9
173.13313	19.8
173.55774	5.6
175.14813	7.7
181.10225	7.7
183.11723	17.6
185.13266	18.0
187.14937	7.0
189.16261	6.2
197.13309	8.7
199.14824	12.5
201.16447	6.3
201.38995	6.0
206.55385	5.5
209.19327	4.6
211.14861	6.4
213.16264	23.5
225.16441	9.1
231.17432	21.0
259.20639	8.0
335.25775	13.5
337.20837	5.0
379.41931	5.5
427.55804	5.6
491.38904	10.1
565.42303	18.5
583.43567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44267	7.6
55.05500	31.2
67.05495	89.3
69.07058	41.5
79.05507	56.5
81.07047	100.0
83.08620	11.8
91.05476	55.0
93.07036	71.8
95.04967	9.2
95.08614	54.6
102.84872	9.3
105.07011	55.9
107.08591	43.9
109.10160	27.5
116.50243	9.5
117.07030	33.0
119.08544	58.5
121.10167	32.2
129.07034	10.0
131.08551	38.1
133.10153	31.1
135.11670	19.6
135.34222	9.8
143.08624	20.1
145.10129	39.3
147.11673	32.1
149.13297	12.3
157.10207	12.3
158.36278	9.3
159.11713	27.7
161.13226	28.3
173.13263	19.5
185.10373	10.6
189.12749	13.9
190.09230	10.0
199.14970	10.9
215.18028	11.0
241.19608	11.3
259.20560	29.5
276.23300	9.6
307.22690	26.9
333.24115	12.6
341.26151	10.9
455.31485	13.5
481.90021	10.9
491.38580	20.4
583.43475	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	25.7
57.03415	27.5
58.21926	18.6
59.50743	16.9
60.33587	17.5
60.63624	15.8
64.58234	22.1
64.65741	18.9
67.05497	100.0
76.35301	18.7
79.05486	51.2
81.07045	96.0
91.05456	75.6
93.07040	74.5
95.08607	94.3
97.10090	22.6
105.07012	50.9
107.08575	38.8
109.10153	39.3
119.08590	47.9
120.08070	22.6
121.10149	41.5
133.10168	44.2
137.24744	22.3
159.11618	23.7
171.07823	23.9
171.11708	28.2
173.13295	30.0
190.78687	20.6
230.98640	21.2
248.87227	24.8
301.44626	21.3
335.25858	27.4
392.67590	22.3
583.42877	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
53.16806	4.4
55.01856	5.3
55.05499	29.4
57.03427	13.7
57.07045	5.7
67.05492	95.3
69.03425	7.8
69.07046	25.1
79.05479	60.8
79.08609	4.4
80.18227	5.1
81.07040	81.4
83.08604	11.5
85.06543	6.1
89.06013	5.6
91.05472	86.7
91.71587	8.3
93.07031	100.0
95.04967	18.7
95.08600	66.2
105.06374	10.8
105.07011	71.0
107.08587	44.9
109.06509	7.7
109.10140	34.0
117.07022	24.3
119.08576	65.9
121.10126	52.4
123.11659	8.1
126.75574	5.7
128.06244	6.2
129.07001	19.1
131.08578	42.8
133.10127	43.7
134.49635	5.6
135.11681	21.0
137.09621	10.9
141.06996	8.3
142.07838	7.6
143.08543	26.8
145.10121	42.6
147.11639	32.4
149.13252	13.7
151.07556	5.9
154.95918	5.2
155.08478	7.0
157.10080	34.9
159.11676	23.3
161.13263	18.7
165.09119	9.0
167.10695	7.1
169.10132	18.0
171.11664	25.9
173.13231	15.5
176.83185	5.8
183.11765	13.5
185.13280	21.0
197.13277	15.2
199.14952	8.4
203.14320	10.3
207.11693	7.5
209.13152	9.9
213.16434	8.3
215.31117	5.6
221.15407	10.6
227.18126	6.4
239.17787	6.6
241.19507	14.1
259.20544	16.0
262.34006	6.3
307.22736	23.9
333.24194	8.2
344.02908	6.7
505.73950	7.0
583.43359	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54275	7.0
53.03952	8.8
55.05488	31.9
58.43843	7.6
67.05487	62.7
69.07047	31.2
71.05565	7.7
74.32375	8.2
79.05477	50.6
81.07040	76.3
83.08606	12.4
85.06571	9.3
91.05467	100.0
93.07030	82.4
95.04965	12.2
95.08590	85.3
95.41340	8.5
100.69394	8.1
101.59117	8.9
102.19609	8.7
105.07014	84.8
107.08588	45.8
109.10165	22.9
117.07014	35.9
117.44200	9.8
119.08547	76.5
121.10114	46.3
123.08015	14.0
128.06201	13.8
129.06999	28.1
131.08571	43.4
133.10121	57.6
135.11713	22.3
142.07797	17.0
143.08583	39.0
145.10109	53.5
147.11691	32.7
149.14864	9.9
155.08531	12.2
157.10133	42.1
159.11710	32.1
161.13246	15.1
165.07079	12.4
171.11722	28.5
173.13216	16.3
180.54431	10.7
183.11668	17.1
185.13284	16.3
193.10263	11.7
195.11656	13.2
197.13223	12.7
213.16377	17.0
223.14857	12.8
231.17467	13.0
271.70840	10.0
335.25745	14.1
353.58105	11.3
380.62497	11.4
583.43250	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54275	7.0
53.03952	8.8
55.05488	31.9
58.43843	7.6
67.05487	62.7
69.07047	31.2
71.05565	7.7
74.32375	8.2
79.05477	50.6
81.07040	76.3
83.08606	12.4
85.06571	9.3
91.05467	100.0
93.07030	82.4
95.04965	12.2
95.08590	85.3
95.41340	8.5
100.69394	8.1
101.59117	8.9
102.19609	8.7
105.07014	84.8
107.08588	45.8
109.10165	22.9
117.07014	35.9
117.44200	9.8
119.08547	76.5
121.10114	46.3
123.08015	14.0
128.06201	13.8
129.06999	28.1
131.08571	43.4
133.10121	57.6
135.11713	22.3
142.07797	17.0
143.08583	39.0
145.10109	53.5
147.11691	32.7
149.14864	9.9
155.08531	12.2
157.10133	42.1
159.11710	32.1
161.13246	15.1
165.07079	12.4
171.11722	28.5
173.13216	16.3
180.54431	10.7
183.11668	17.1
185.13284	16.3
193.10263	11.7
195.11656	13.2
197.13223	12.7
213.16377	17.0
223.14857	12.8
231.17467	13.0
271.70840	10.0
335.25745	14.1
353.58105	11.3
380.62497	11.4
583.43250	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	584.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.3
71.06117	16.1
77.00626	14.9
85.04062	12.4
95.98644	9.4
97.33770	9.5
111.29336	9.2
118.03271	29.0
130.03227	11.1
130.05057	14.3
131.04584	14.6
147.05865	75.7
149.07472	24.4
177.03371	19.7
185.03891	18.9
204.00529	13.3
231.04443	39.0
299.71036	12.6
325.10028	100.0
391.29257	12.8
415.60516	11.7
454.14386	27.0
491.46387	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	584.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54122	6.8
63.70461	6.8
70.06580	100.0
72.08141	7.7
86.09698	17.6
88.95481	6.7
112.77654	8.6
120.08125	21.4
130.23795	7.4
152.07077	7.7
162.05511	16.0
198.00739	8.0
251.11664	11.2
283.10757	10.0
326.12308	21.9
327.13416	12.6
339.13495	34.5
367.13101	16.9
445.31595	9.5
488.18127	10.0
516.17419	16.8
534.18854	45.1
552.19647	60.6
580.56799	10.1
584.22137	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	12.8
57.07040	18.1
59.46819	9.9
62.35363	9.3
67.05488	43.7
69.07018	13.0
69.95943	9.6
72.74006	12.6
74.64151	10.6
79.05486	19.1
81.07040	59.0
83.04968	14.5
89.06022	17.9
91.05459	61.9
93.07037	68.2
95.04949	26.1
95.08612	59.1
105.07051	82.6
107.08592	56.3
109.06524	22.3
109.10168	24.6
110.80713	11.2
117.07002	36.5
117.44449	10.5
119.08573	100.0
121.10157	52.5
123.08068	25.6
128.06192	15.1
129.07008	23.1
131.08592	49.1
133.10106	61.9
135.11684	14.2
137.09593	12.7
142.07797	21.5
143.08571	41.0
145.10153	70.1
147.08083	16.4
147.11687	12.7
155.08586	22.3
157.10115	52.7
159.08076	15.5
159.11713	39.6
165.09128	38.2
169.10068	23.1
171.11655	33.7
173.13251	20.1
175.14832	23.0
181.10173	16.3
183.11836	28.2
184.12383	14.5
185.13278	30.1
195.11693	21.7
197.13028	13.9
199.14801	27.1
201.12776	13.3
203.14343	26.6
207.11731	19.1
209.13283	23.6
211.14902	18.2
221.13385	20.3
221.15381	24.1
221.51611	14.8
222.15622	25.6
223.14754	17.8
235.14642	14.8
255.17436	37.7
262.76404	12.9
298.02512	12.7
315.78351	15.0
334.36203	15.1
371.33319	16.2
529.14203	15.0
584.41650	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	14.6
58.99576	9.2
70.06568	14.7
72.47897	8.6
75.22951	8.2
76.02229	11.8
80.34380	8.2
84.04484	70.3
86.00629	20.4
88.03978	26.4
99.26040	8.0
102.98555	11.8
109.72601	9.4
110.06027	14.8
130.04977	23.1
132.01154	33.2
136.07599	11.3
154.05048	28.2
155.08220	13.7
171.07642	23.7
189.10335	13.0
197.30615	9.4
201.10318	12.0
213.10120	11.6
217.08078	10.1
227.08257	27.5
229.09778	79.7
231.04410	12.1
235.10889	10.8
240.08931	13.8
244.10838	18.2
248.09096	9.6
249.05423	21.8
255.11348	22.0
257.09265	11.9
261.06882	21.6
271.10770	22.7
275.10513	17.9
301.11887	21.3
303.07996	11.3
348.10056	54.1
390.11148	22.6
408.12537	46.1
420.12363	100.0
438.13232	35.0
529.99969	10.4
537.16528	54.1
549.16724	18.4
567.17194	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	585.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42651	16.2
69.96288	18.0
70.06596	22.3
84.04490	100.0
86.00648	32.0
100.66447	22.4
107.89756	22.6
123.70331	19.5
130.60521	20.5
154.05011	21.7
157.03468	20.9
188.06888	26.6
214.65382	19.8
229.09656	41.3
256.13177	23.6
269.64716	22.2
348.10211	25.7
355.23969	24.0
375.01379	28.2
420.12210	58.5
476.68414	28.9
524.53540	26.1
567.17657	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20761	3.9
56.96558	66.4
60.14264	4.3
62.02576	3.7
79.70367	4.5
98.97574	71.8
103.39011	5.3
109.22028	4.8
112.99140	11.4
116.98618	34.8
131.00174	30.5
134.99686	14.2
140.00168	58.9
143.00206	5.9
149.01210	27.2
154.01733	42.8
158.01297	24.0
158.99657	36.8
161.01190	9.8
166.01791	10.4
166.65814	5.2
172.02792	47.4
173.01198	10.3
177.00719	23.7
180.03549	5.5
181.02817	28.8
184.02788	8.0
189.04900	5.6
193.02731	5.4
195.04440	20.0
199.02823	7.8
199.84743	5.3
200.02261	62.3
212.02440	7.4
213.05463	6.5
214.03909	10.7
217.03711	6.8
219.01857	9.3
223.03940	7.9
226.03831	10.2
242.03270	7.6
275.04385	21.1
289.14642	47.7
293.05457	22.0
307.15689	25.4
316.06998	62.7
323.03488	5.4
330.17389	87.8
334.08069	24.8
349.16791	26.1
469.21426	6.0
525.23657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	74.2
62.16505	9.1
79.28205	8.6
87.92985	9.1
91.43744	10.6
98.97578	91.0
116.98624	45.5
128.98578	11.7
131.00177	45.6
134.99640	22.6
140.00172	71.6
149.01184	29.9
154.01755	47.9
156.62202	11.4
158.01303	20.2
158.99669	42.5
166.01778	12.7
170.01199	12.8
172.02823	44.1
177.00771	19.2
181.02809	27.9
195.04478	22.1
200.02303	64.2
200.73189	13.1
214.04019	14.7
275.04367	19.1
289.14658	59.1
293.05005	12.9
307.15674	28.7
316.07013	65.2
330.17355	100.0
334.08023	28.1
349.16766	26.7
406.01056	11.5
525.23492	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	20.8
57.03419	13.4
60.79789	5.6
67.05492	95.9
69.07051	32.0
75.50639	5.8
79.05489	44.5
81.07051	96.5
83.08601	17.5
85.06487	7.2
91.05471	53.8
93.07036	78.6
95.08601	74.6
97.10168	10.4
105.07040	36.1
107.08586	39.0
107.45346	6.7
109.10152	41.4
117.07016	20.2
119.08575	35.6
121.10136	32.1
123.11708	17.0
129.06993	11.2
131.08571	29.0
133.10130	31.8
135.11684	28.8
143.08601	11.2
145.10114	29.0
147.11676	28.8
149.13304	13.5
159.11726	19.7
161.13243	16.0
171.11646	8.3
173.13251	22.9
185.13156	9.2
187.14919	7.9
213.16318	13.5
233.18954	9.7
237.91678	7.8
307.22501	10.7
337.27307	8.9
392.42410	8.8
464.05630	9.4
497.30524	8.9
585.45044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.05508	32.3
57.03423	8.7
57.07064	9.9
62.88855	3.1
64.51486	4.2
67.05493	98.8
69.07059	36.2
71.01827	3.6
71.04973	5.8
74.31525	3.7
79.05474	44.9
81.07043	100.0
83.04987	5.1
83.08615	22.6
85.06537	6.7
89.06011	10.2
91.05469	52.3
93.07041	77.4
95.04939	7.1
95.08034	7.8
95.08599	81.7
97.10159	8.6
104.51851	3.8
105.07017	41.5
107.08577	44.2
109.10144	43.8
117.07019	17.1
119.08564	42.8
121.10136	44.6
123.11690	15.9
128.86481	4.4
129.06990	11.6
131.08557	33.5
133.08603	6.2
133.10136	40.0
135.11674	34.8
137.13309	7.0
143.08556	9.8
145.10126	29.9
147.11693	29.8
149.13232	7.4
151.11273	6.7
157.10120	13.4
159.11700	18.0
161.13245	12.8
164.79037	5.3
171.11644	15.3
173.13268	17.7
175.14827	7.6
177.12704	4.4
183.11559	5.0
185.13228	12.1
187.14835	8.6
187.34589	5.0
189.16409	5.2
197.13298	4.8
199.14815	6.8
201.16399	6.8
203.89659	5.1
213.16411	11.9
215.17929	11.8
216.90291	4.3
231.17380	7.4
233.19118	7.2
259.20441	6.4
259.48859	4.9
265.19510	5.2
307.22586	12.0
309.24246	6.9
335.25714	10.7
445.42938	5.2
493.40527	9.7
567.44128	14.3
585.45129	85.5
586.46173	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	585.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61198	10.8
53.30280	11.0
54.29664	10.1
55.05515	33.4
57.07045	10.9
67.05502	81.7
69.07051	36.8
72.15963	11.9
77.04013	15.6
78.20886	12.1
79.05482	28.3
79.63713	11.9
81.07051	100.0
83.03214	13.5
84.25639	13.2
89.06017	48.5
91.05463	57.2
93.07041	50.1
95.08614	67.0
105.07025	53.6
106.76561	12.6
107.08593	20.3
109.10149	21.7
119.08566	47.7
121.10141	23.0
121.17599	12.5
124.78635	13.7
129.06984	15.2
131.08556	15.7
133.08604	21.4
133.10153	31.6
145.10138	23.2
147.11710	22.6
159.11665	16.9
167.32353	13.8
169.10098	13.9
259.20609	19.8
309.24173	35.4
585.45001	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	585.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61198	10.8
53.30280	11.0
54.29664	10.1
55.05515	33.4
57.07045	10.9
67.05502	81.7
69.07051	36.8
72.15963	11.9
77.04013	15.6
78.20886	12.1
79.05482	28.3
79.63713	11.9
81.07051	100.0
83.03214	13.5
84.25639	13.2
89.06017	48.5
91.05463	57.2
93.07041	50.1
95.08614	67.0
105.07025	53.6
106.76561	12.6
107.08593	20.3
109.10149	21.7
119.08566	47.7
121.10141	23.0
121.17599	12.5
124.78635	13.7
129.06984	15.2
131.08556	15.7
133.08604	21.4
133.10153	31.6
145.10138	23.2
147.11710	22.6
159.11665	16.9
167.32353	13.8
169.10098	13.9
259.20609	19.8
309.24173	35.4
585.45001	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	586.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32030	1.9
55.33830	1.5
57.07072	2.2
69.07031	2.9
72.04491	5.0
72.94418	1.9
73.02875	2.2
85.06545	3.9
90.05547	50.9
91.71599	3.2
98.02409	4.9
103.07556	2.6
116.03464	6.0
118.06542	4.3
124.07590	6.0
138.17221	2.2
142.08669	2.1
146.06026	8.9
184.09734	6.8
188.07094	9.7
202.10725	14.3
220.11786	100.0
221.06685	2.4
261.95792	2.2
306.54733	2.4
337.70703	2.5
352.84653	2.6
364.52704	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	587.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76879	23.9
80.16462	30.7
93.07000	53.9
204.95682	33.3
245.38113	34.3
268.47491	32.1
269.10367	37.2
292.50070	37.9
295.65204	43.0
319.08301	38.0
394.03134	38.6
400.08447	37.6
487.36691	37.9
587.31787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92662	11.6
55.05490	34.2
63.49915	11.1
67.05495	100.0
69.07054	46.9
79.05472	44.8
81.07036	89.6
91.05455	36.3
91.71039	23.9
93.07056	66.0
95.08591	77.5
105.07001	42.6
107.08582	31.8
107.85182	12.2
119.08579	36.8
121.10149	31.4
123.11697	15.6
129.06953	15.4
131.08585	22.0
132.40388	13.4
133.10101	17.6
135.11685	28.9
147.11688	17.1
163.14909	16.0
173.13503	17.9
201.32066	13.2
332.01385	15.8
471.16852	15.7
587.46649	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27317	7.7
55.05518	28.7
57.03432	9.0
57.07074	11.3
67.05499	88.9
77.20815	7.5
79.05510	32.7
81.07056	100.0
83.08633	28.9
85.06554	8.1
91.05496	30.3
91.71359	47.6
93.07030	47.2
95.08596	69.3
103.23018	7.9
105.07063	35.3
107.08627	30.8
109.10190	36.2
111.08093	8.5
117.07028	9.8
119.08627	24.9
121.10202	35.1
123.11795	8.9
131.08606	11.7
133.10182	19.0
135.11736	13.0
145.10158	27.6
149.13377	12.9
161.13213	13.7
173.13416	11.7
185.39749	8.0
188.80190	10.7
207.78073	9.3
215.17868	11.6
262.21078	9.6
314.00702	10.0
427.32974	13.0
502.00906	10.9
587.46832	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07773	0.5
55.05484	0.5
60.07902	0.6
60.08157	8.3
61.29764	0.6
71.07360	4.0
83.49825	0.7
86.09697	41.1
98.98460	3.2
104.10735	3.8
124.99992	20.5
163.28912	0.8
184.07330	100.0
266.24094	0.7
266.41696	0.7
274.81161	0.8
298.55283	0.7
309.53284	0.7
312.79807	0.7
368.94754	0.8
559.85156	0.8
570.35321	1.1
588.36121	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	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26945	1.5
54.99508	1.6
60.08157	9.4
73.54967	2.0
86.09698	39.6
98.98438	3.0
104.10735	6.2
124.99996	21.0
184.07329	100.0
588.36957	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	589.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63467	7.2
56.96290	6.8
56.96551	36.2
62.19331	6.2
81.17189	7.3
84.96010	15.4
98.97589	32.0
110.97624	10.1
116.19688	9.0
116.98598	18.7
128.98584	11.3
131.89616	8.6
134.99603	12.3
140.00226	33.5
146.99603	9.3
152.00171	13.1
158.01251	21.3
166.01723	9.7
167.99767	11.1
181.02856	21.9
212.02344	13.3
219.01796	21.4
237.02847	21.0
242.03363	28.8
260.04440	26.5
283.06015	50.1
301.07474	22.2
319.08691	25.4
324.08951	26.9
342.10165	28.6
365.11539	16.6
389.68933	9.7
403.64514	9.6
445.11697	100.0
487.12585	73.8
565.97925	10.6
589.16650	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	589.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87270	6.6
52.74216	7.2
53.79275	7.0
56.96549	39.6
61.33482	7.9
62.74411	6.4
64.58248	8.8
67.40204	7.6
71.04021	8.1
92.44201	8.3
98.52988	7.8
153.22789	9.6
176.50903	8.4
221.08534	22.9
232.06522	16.1
238.77023	8.9
239.09552	48.1
259.09995	11.6
262.11127	49.5
277.11118	83.2
295.12183	31.4
300.12592	100.0
300.15833	10.4
318.13824	33.9
323.01794	11.6
337.13269	11.4
345.02634	26.4
360.14777	56.8
368.04382	28.9
391.05966	28.5
529.15393	17.1
589.17426	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	589.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80450	17.3
58.20476	18.2
66.31976	15.1
80.27848	23.5
91.05546	21.9
93.11217	21.9
107.04933	31.0
112.98203	19.5
115.32813	22.4
119.05015	21.0
249.74458	22.5
314.15750	24.5
388.45923	21.2
489.11612	31.9
508.83798	23.9
510.95309	29.4
543.22754	30.7
551.41504	22.7
560.20441	31.2
572.20404	100.0
589.22925	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90682	7.7
57.42583	9.0
58.08943	8.3
62.13934	8.6
76.35745	9.6
76.64935	9.8
138.79579	11.4
529.28186	13.1
572.54993	13.0
589.29816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77732	4.5
55.05519	21.6
67.46462	5.8
69.07078	24.0
71.08658	6.1
79.05483	5.9
81.07039	51.2
83.08611	38.0
97.10198	6.0
101.85055	6.3
104.16644	5.4
104.72980	5.5
107.04986	6.1
109.10223	6.0
114.68717	5.2
155.34157	6.5
161.74715	6.2
168.20305	7.4
181.32578	7.2
227.91936	6.4
251.31839	6.2
361.03903	6.6
409.34650	100.0
409.58856	7.0
449.23306	6.2
589.43640	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	589.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05492	7.1
57.07066	16.0
67.05493	11.5
69.07041	5.0
71.08610	10.2
78.11302	2.8
79.05479	5.7
81.07047	35.1
83.04981	2.2
83.08601	5.0
85.10192	2.9
91.05505	2.5
93.06995	3.0
95.08591	10.9
107.08607	4.4
109.06501	8.8
109.10188	5.6
111.04433	12.9
119.08582	3.7
121.06583	2.2
129.76131	2.7
133.10039	4.0
135.08083	3.4
135.11676	2.7
137.05974	100.0
147.11696	5.5
149.09679	2.8
161.09608	5.3
161.13202	4.1
177.09082	2.8
187.66307	2.8
203.17947	3.5
220.25342	2.8
231.17438	7.2
249.18495	9.5
269.92502	2.5
277.17960	38.5
295.18918	17.2
318.01682	2.7
380.91748	3.0
419.90771	2.6
589.44312	24.6
619.80841	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	589.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90427	6.2
57.07061	17.6
59.17575	6.2
59.70729	6.6
67.05466	12.3
68.46369	6.3
78.78472	6.7
79.18371	7.0
81.07054	40.7
94.82749	7.9
95.08591	15.6
107.26127	7.6
109.06477	14.0
111.04441	14.4
115.15508	9.1
119.08614	9.7
120.62109	7.8
137.05966	100.0
205.91942	9.7
277.18048	46.1
295.18970	21.0
495.36121	10.2
589.43976	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26033	31.8
57.07066	77.2
67.05492	59.8
68.07143	38.2
71.08601	42.7
77.38093	38.9
79.05495	52.3
81.07043	65.6
91.05469	69.8
91.71080	89.0
93.07007	42.0
95.08590	60.9
103.25294	41.3
105.07036	100.0
107.08599	71.0
119.08577	60.3
123.90382	46.2
130.70764	36.5
147.11623	44.4
150.55627	48.7
187.82576	42.5
190.04266	43.1
203.12172	45.5
246.47128	42.0
248.58493	41.1
259.20706	58.8
313.27725	60.5
457.25854	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	590.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54551	16.4
65.40366	17.5
70.06586	100.0
84.08139	39.1
86.09698	59.7
91.05500	24.5
107.04958	24.2
108.48963	19.6
119.04984	21.5
121.06499	29.7
131.67960	18.4
132.42973	18.4
133.06071	45.3
139.96124	17.6
196.78461	20.5
251.58879	22.2
253.27394	20.4
310.13940	22.7
321.60788	26.8
353.00415	22.9
368.94199	24.9
395.12634	26.8
423.12424	33.7
441.30258	21.7
441.38168	19.4
449.10529	20.2
469.12204	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	590.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70174	11.4
64.00742	11.8
70.06577	100.0
74.75162	12.0
74.96355	11.9
77.53762	15.8
84.08125	41.0
86.09710	33.5
91.05478	21.4
93.07072	15.5
96.26785	14.9
107.04935	23.6
108.46214	15.7
111.79651	15.3
121.06486	43.0
133.06128	33.4
136.07610	26.5
170.61053	15.6
197.08133	14.7
199.07437	19.2
245.45323	19.7
261.09210	24.1
289.08722	24.2
308.98816	17.1
397.14325	24.2
469.12778	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	590.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	9.0
66.71114	0.8
70.46476	0.7
71.07359	4.3
86.09698	40.9
98.98462	2.7
102.16473	0.6
104.10748	3.1
109.22885	0.7
124.99995	22.0
160.12361	0.7
166.02672	1.2
184.07332	100.0
195.84093	0.8
197.66725	0.6
202.87975	0.6
213.63449	0.8
296.85590	1.0
367.39929	0.9
407.39844	0.7
503.45035	0.7
572.37085	1.0
590.37726	1.9
613.04590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17680	16.7
55.78039	14.4
56.84890	18.6
57.07065	37.1
59.44086	15.7
65.42721	16.0
71.08618	75.2
85.10192	27.4
89.06026	100.0
93.07041	29.5
96.89283	17.8
99.37768	16.3
105.91414	20.5
109.91425	17.2
121.06484	43.3
130.08644	44.4
133.08617	72.4
144.80191	21.5
157.49820	18.9
162.16554	21.3
219.70755	22.2
262.04105	21.9
267.73480	23.3
291.22952	30.7
418.39999	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	591.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31064	2.7
55.85650	3.6
56.96553	16.8
61.01740	3.2
70.06588	12.4
72.08137	5.7
82.12012	4.0
84.08121	5.9
84.59962	3.3
86.09696	5.3
107.04950	100.0
108.05296	5.0
108.99632	4.0
109.06545	15.8
165.02242	4.9
183.03320	16.8
185.01213	5.5
197.23512	5.1
201.04364	14.2
206.04890	24.9
224.05893	13.7
250.03641	4.8
268.05017	5.4
271.06546	6.4
289.07495	7.9
291.06424	5.9
309.47086	4.6
312.09048	25.8
315.05911	6.0
333.06445	5.0
335.07965	7.1
356.08118	16.6
376.10776	12.2
377.10599	8.7
441.12073	9.7
476.71167	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	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87843	6.4
55.05499	17.0
56.08632	6.1
57.03421	9.1
57.07070	58.6
63.63224	6.7
67.05487	71.4
69.07061	21.8
69.29208	7.2
71.08622	32.8
79.05491	19.7
81.07049	83.6
82.52301	7.4
83.08595	22.1
85.10181	15.2
91.05468	14.1
91.71606	9.2
93.07023	38.9
94.35886	6.6
95.08607	82.3
97.10168	9.3
107.08604	19.8
109.10161	32.6
118.25771	8.1
119.08617	12.2
121.10112	11.7
123.11690	15.4
133.10161	10.2
135.11729	12.1
143.22983	8.0
154.72725	7.9
261.22211	33.5
313.27344	100.0
317.25067	14.8
328.65176	12.0
335.25815	46.4
573.48615	9.9
591.38733	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	592.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28436	13.1
56.63817	13.1
65.97118	12.3
67.18472	12.9
69.03445	19.7
71.28748	14.5
72.20123	12.8
85.02905	25.0
108.44034	15.4
113.31107	17.0
121.01037	18.8
123.04429	57.8
137.05963	100.0
151.02168	22.8
155.01596	28.9
167.01657	40.7
169.03123	22.8
241.47559	20.3
249.93396	17.5
401.92941	15.3
413.10413	37.8
430.13135	53.3
451.07062	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	592.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.5
58.99560	2.8
69.03396	9.9
69.65955	2.7
70.06586	6.3
70.69500	2.8
78.33521	3.5
81.03413	5.6
81.07032	3.8
85.02883	17.2
86.00639	46.9
93.07025	6.0
95.08553	3.5
97.02886	7.5
99.04446	9.0
99.25018	2.9
103.03950	7.8
105.07011	23.1
109.02811	3.9
109.06557	3.0
119.08598	8.8
121.10149	32.4
127.03914	13.8
132.01141	100.0
132.02106	5.9
134.09280	3.2
147.11691	27.4
163.41646	3.4
268.13681	7.4
286.14642	41.8
592.24261	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	8.4
70.83353	6.6
71.07381	9.2
73.50386	6.6
86.09688	35.9
87.16560	6.7
90.33867	6.2
104.10741	100.0
124.99989	11.4
129.53049	6.2
198.33606	7.3
219.62480	8.0
221.98337	8.1
240.10074	9.4
317.17722	8.3
331.89584	9.1
343.93704	8.3
358.20682	8.8
592.24390	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34217	2.6
56.05033	15.6
59.60772	2.1
60.04515	13.5
60.51507	2.0
61.01134	9.7
61.64197	2.2
64.05158	2.5
65.80890	2.1
69.07060	3.9
70.02930	8.5
70.06578	8.7
73.91832	2.6
77.06054	2.4
84.04489	16.8
86.09708	37.0
87.05583	100.0
90.01319	2.6
98.06008	5.3
99.14504	2.4
101.07148	3.5
104.05332	21.2
107.45672	2.4
118.63734	3.3
130.05005	24.5
141.10226	8.2
143.08154	80.6
147.07613	37.1
155.11761	9.9
166.08646	4.8
179.24236	3.0
183.11314	9.3
191.08476	40.1
200.13956	17.1
219.07970	22.0
228.13383	5.8
246.09052	5.6
260.16064	13.0
269.08743	3.5
273.15906	3.0
333.12170	46.2
374.20578	5.2
418.21274	14.9
446.20514	11.9
588.95984	3.5
596.01593	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	592.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05748	5.0
55.01849	18.1
55.05496	11.3
55.90624	4.8
57.03415	18.5
67.05480	29.7
69.03416	58.0
69.07055	10.7
71.04997	10.6
79.05465	33.6
81.03390	22.6
81.07040	34.5
83.04961	5.4
83.08599	7.1
85.02898	100.0
91.04980	5.4
91.05453	31.4
93.07031	37.1
95.08579	26.3
97.02876	37.5
99.04433	12.1
104.33713	5.4
105.07022	26.9
107.04935	10.8
107.08569	12.3
108.04455	6.2
108.57787	5.3
109.02834	10.7
109.10125	15.2
115.03946	6.4
115.05318	6.7
117.07019	10.1
119.08582	15.8
121.10101	18.6
127.03906	54.5
129.06990	7.3
130.33069	6.3
131.08556	16.2
133.10107	16.1
135.08067	12.0
135.11668	14.0
143.08467	6.8
145.04941	11.6
145.10146	20.0
147.11636	14.2
155.08629	6.3
159.11740	10.8
161.25664	6.6
169.10078	9.4
171.11707	9.4
173.13249	7.5
185.13371	8.0
215.17821	7.6
231.17392	13.0
233.19028	6.7
255.96069	6.2
275.19995	8.8
323.20206	7.8
341.21350	9.8
359.22092	25.8
377.23224	20.6
395.24512	10.4
509.97653	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	593.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79901	1.9
58.63324	2.0
69.76994	2.2
73.43231	2.0
79.58484	2.4
80.91447	2.0
96.58589	2.3
114.79043	2.0
137.98813	2.5
202.67937	2.6
209.17938	2.4
415.21249	2.8
431.18607	5.4
433.23889	7.1
445.20206	8.2
446.21045	4.7
460.22440	13.7
461.23380	11.7
473.23520	3.5
505.22122	4.4
533.25568	47.2
593.27484	100.0
593.36975	5.7
594.27307	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.64517	4.4
59.46125	4.6
60.21916	4.8
60.27904	5.0
71.09203	4.7
72.88388	4.9
80.30544	5.1
88.52348	5.2
95.77142	6.5
140.07112	5.2
163.57968	6.2
183.31485	6.7
213.98735	6.0
316.38086	5.9
355.46967	7.0
367.78778	7.3
376.50400	6.8
397.34265	7.3
400.60516	6.9
445.20230	8.9
447.21695	7.1
460.22214	9.6
461.23172	9.3
533.25635	20.0
593.27740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78640	6.7
62.27335	6.7
67.17477	7.0
91.71022	19.3
126.33974	8.5
137.44455	8.1
168.59059	8.3
209.54372	8.1
211.33916	9.2
224.15517	9.3
270.84073	9.1
384.94437	9.9
414.05881	9.5
414.38095	9.7
593.29315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91936	5.2
65.03954	7.5
69.23786	5.9
77.98669	5.9
87.05663	5.6
107.05527	7.2
149.02342	100.0
149.03448	7.7
192.62502	6.6
193.04929	52.1
258.65848	7.3
267.06931	7.7
352.85065	6.8
577.13373	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	594.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74795	2.4
60.10895	2.6
65.03916	5.6
70.75780	2.0
77.08170	2.3
77.20063	2.1
79.55710	2.2
80.82551	2.2
97.17726	2.8
121.02885	8.2
123.80782	2.4
128.66489	2.6
137.86780	2.4
139.03893	2.7
149.02335	100.0
149.03510	5.9
193.04947	59.4
434.09164	3.4
510.72769	3.3
577.13544	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42302	1.0
54.06331	0.9
60.08156	7.6
62.46914	1.1
63.30320	0.9
71.07362	4.5
73.20089	1.0
77.22175	0.9
86.09706	13.6
100.77148	1.2
104.10734	100.0
138.00655	1.2
138.34630	1.3
147.93260	1.2
172.95226	2.9
178.56233	1.1
180.95709	2.2
190.96297	1.7
195.96884	2.8
197.24890	1.2
198.96761	7.3
203.97340	2.3
211.96713	1.1
216.97878	4.4
218.98412	2.4
221.98347	8.9
239.99532	4.4
244.99866	6.0
331.21622	1.3
406.10977	1.5
478.25858	2.3
534.28650	3.5
548.67865	1.6
594.31024	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88178	4.4
56.36863	4.9
56.96556	71.0
58.06594	45.0
59.07375	13.8
62.84102	5.0
77.57180	5.2
82.15740	6.4
83.99691	5.5
86.09675	15.9
87.04902	5.4
97.99203	6.5
100.11240	7.1
104.10729	21.8
110.97634	6.9
114.79023	5.8
115.91689	6.3
128.98677	8.9
141.61586	5.9
143.78545	6.2
144.10194	100.0
146.99657	16.4
152.00182	11.6
168.03322	15.8
170.01218	19.7
193.02908	15.0
216.97841	5.8
238.03893	8.6
241.08601	17.9
255.87521	6.6
256.04996	7.6
274.09619	8.1
283.31241	8.0
297.11200	9.5
300.40149	7.5
317.17868	47.2
335.19043	12.5
358.20581	51.2
460.27698	15.3
478.28369	10.0
534.30890	62.7
561.51666	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	594.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09729	15.3
57.03437	16.1
67.05502	42.3
68.29083	14.9
69.03416	68.1
79.05476	25.8
81.03419	33.6
81.07079	20.0
85.02879	100.0
88.77024	15.4
91.05486	16.5
93.07047	24.6
95.08587	18.1
95.74955	14.8
97.02891	38.4
99.04425	17.2
105.07048	21.2
119.08601	26.2
120.31854	16.0
127.03903	49.5
131.08553	28.6
146.44635	17.1
256.42075	17.2
361.23895	34.1
379.24792	31.8
423.73990	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	594.3764
Annotation	POV-PC
Peak:m/z	Relative Intensity
53.26894	1.0
60.08147	7.6
60.13963	1.1
64.95560	1.2
70.31100	1.0
71.07362	4.7
86.09698	43.9
98.98465	3.2
104.10758	2.4
104.98101	1.2
124.99989	19.2
133.24130	1.1
134.15128	1.5
141.07658	1.2
156.11823	1.2
166.02637	1.7
172.64557	1.6
184.07335	100.0
187.97353	1.5
188.90459	1.4
216.52498	1.3
240.06804	1.8
244.70540	1.4
270.64584	1.4
310.46545	1.3
332.05420	1.6
336.36337	1.5
459.54031	1.6
594.37384	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	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51226	1.3
59.79613	1.1
65.03918	6.7
68.16463	1.1
70.41057	1.0
82.68911	1.1
86.97507	1.1
91.71031	2.7
91.78381	1.1
95.08589	1.3
99.60637	1.1
102.71471	1.3
121.02885	2.2
139.03879	4.5
149.02339	100.0
149.03410	6.5
166.43134	1.4
171.87444	1.3
175.03941	1.8
193.04956	70.6
213.44188	1.4
237.07573	24.3
291.82831	1.3
297.03775	1.3
312.71341	1.5
341.06567	2.9
385.09064	14.6
429.11954	5.9
534.94006	1.3
553.19629	1.6
577.13367	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	595.1658
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
50.17685	3.9
63.54743	4.3
70.06606	6.2
85.02924	12.3
104.66439	5.2
119.04990	11.6
120.92958	5.4
121.02869	53.7
175.04004	6.6
201.05576	5.7
207.02979	9.3
217.05206	6.1
219.02960	9.6
225.21500	5.5
283.05927	7.3
294.05420	14.1
295.05978	77.0
296.06882	7.4
297.07721	10.5
307.05890	51.7
308.06906	17.5
309.07770	16.4
313.07153	7.2
319.06128	15.6
321.07663	19.5
322.08490	12.0
325.07047	100.0
326.07410	7.1
333.07565	6.5
335.09259	19.2
337.07053	65.9
347.09320	14.1
349.07251	25.2
351.08838	16.1
355.08414	23.0
361.07178	21.2
365.10388	16.2
379.08047	45.6
385.06171	7.5
391.08182	25.4
403.08307	21.4
409.09134	38.0
421.09338	20.0
427.10175	36.7
439.10226	32.2
457.11322	73.7
475.12280	14.9
481.11557	26.1
499.12308	16.8
505.11606	9.4
511.12476	19.4
523.12439	18.7
529.13580	11.8
541.13092	24.4
559.14392	16.0
577.15784	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	595.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40847	7.1
77.33143	8.3
83.10413	10.0
100.48722	8.5
123.68706	9.4
142.25783	10.0
143.58992	10.0
370.56216	9.7
595.40863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.5
56.69518	2.7
57.07069	42.7
61.02908	3.1
69.07058	3.9
71.08620	36.0
71.46019	3.0
73.06545	7.8
83.08606	9.2
85.10175	22.6
89.06023	100.0
97.10184	6.2
117.09173	3.9
130.08621	8.2
133.08595	50.8
142.06239	4.0
177.11162	21.6
196.63255	4.1
327.19968	5.8
370.84488	4.3
504.78467	4.2
579.47919	10.2
587.89960	4.3
599.56860	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	597.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19288	3.7
60.08164	6.1
63.53839	3.2
64.53575	3.4
70.98901	3.8
72.65144	3.6
75.48718	3.7
86.09696	6.8
90.19820	4.0
104.10734	70.7
115.70477	4.8
140.04170	4.3
161.45123	4.4
336.13760	5.5
477.58154	4.9
581.26990	5.7
597.33954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.3
64.15778	7.8
69.50665	8.2
70.06573	29.3
83.08592	17.5
84.08149	11.9
100.07621	22.9
100.11243	69.4
105.04411	10.8
110.73247	10.9
111.04460	22.0
118.82701	9.8
128.07103	16.9
146.06026	11.1
182.13934	8.5
182.15349	51.4
184.38918	9.6
208.82906	10.4
209.16577	25.1
210.14873	100.0
218.93170	9.4
234.49907	10.6
244.20096	9.9
256.09784	18.3
318.77081	11.6
580.40704	23.8
597.43121	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	598.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56747	8.3
55.01851	10.6
64.79176	7.7
68.96608	8.1
70.06568	7.7
84.04508	19.4
86.38932	8.9
87.78082	8.3
130.05005	21.6
142.75520	10.1
165.84821	9.8
171.06549	11.1
178.03316	10.8
178.98584	9.1
179.01619	100.0
281.05988	13.3
287.03687	44.4
469.12634	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	598.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61263	3.6
58.99580	15.2
61.81537	3.9
66.10770	3.9
70.98103	5.3
76.02224	100.0
79.05495	5.2
81.07061	12.4
84.04496	16.9
90.89647	5.7
91.05492	5.3
93.07028	10.2
95.08604	7.5
105.07030	12.8
116.01691	19.2
119.08614	5.4
130.05055	6.7
131.08578	8.3
133.06424	7.2
133.10173	6.5
142.03258	8.7
144.01164	14.9
145.10118	9.2
155.08545	5.8
157.10139	5.8
162.02220	33.7
175.11154	5.4
179.04834	84.5
188.22900	5.8
199.97044	6.1
230.00313	5.5
233.05963	10.1
234.90044	6.1
255.17960	5.9
266.91745	5.6
273.18414	6.6
291.19644	16.9
308.08987	26.5
554.72418	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	598.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	28.2
58.21980	3.7
64.86070	4.2
67.05482	4.4
70.06582	43.8
72.08135	6.2
82.06556	5.5
83.08611	20.9
83.86698	4.4
84.08130	7.0
86.09677	7.3
88.80619	4.5
90.93477	4.4
100.07617	25.3
100.11244	82.4
105.07082	4.5
107.04939	19.5
110.07146	6.1
111.04452	25.4
112.07580	8.4
119.83155	5.5
120.08108	40.8
122.06087	6.2
128.07066	27.6
129.05428	5.6
137.64835	5.2
138.01672	5.5
140.07103	13.7
182.15393	76.5
209.16496	21.3
210.14868	100.0
223.42151	5.1
226.18999	6.3
227.17580	11.0
228.15877	11.9
228.86566	5.2
245.18790	6.2
300.94962	5.9
337.21146	12.0
354.24002	12.6
355.22220	8.0
357.71307	6.5
580.40503	19.6
581.39270	12.9
596.59985	7.0
598.41925	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	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
56.97660	0.7
60.30158	0.8
60.83331	0.7
63.54752	0.5
67.20403	0.7
70.06601	1.4
71.42248	0.7
78.65042	0.7
79.05489	1.1
81.03400	1.0
84.08112	0.7
85.02900	2.9
86.09706	0.8
92.86554	0.9
95.04961	1.9
96.45717	0.7
107.04948	100.0
108.05259	0.8
121.02835	1.5
131.04906	1.6
132.43518	0.7
136.50703	0.8
137.52303	0.7
147.04442	1.6
149.06041	0.8
163.03922	1.8
175.03934	1.3
177.05484	2.0
181.04945	1.6
185.05890	1.0
187.03865	1.6
193.04974	1.6
201.05515	0.8
205.04951	4.0
217.05025	3.5
219.06544	1.5
221.04295	0.9
223.05833	1.2
229.04933	1.4
231.06448	1.0
235.06105	1.7
241.04965	1.6
247.05945	2.8
259.06000	5.0
271.05957	2.5
273.07452	0.9
283.05896	1.4
285.07230	0.9
287.02542	0.8
289.07074	1.5
301.07059	2.3
313.06989	2.1
317.10254	0.9
319.08145	1.2
325.06976	1.3
329.10172	2.2
341.10147	2.1
353.10037	3.8
365.10138	2.7
377.10013	1.5
383.11142	4.3
395.11246	3.7
407.11017	4.2
413.12399	1.4
419.11166	1.8
425.12085	2.1
431.13467	5.9
431.78299	0.9
443.13257	1.2
449.12195	2.5
461.13098	2.2
467.13162	2.0
479.13019	2.2
491.13495	1.2
497.13962	2.1
509.14401	1.0
527.14972	1.1
537.37897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.1
70.06594	13.1
71.96245	6.2
72.08152	100.0
83.06113	14.0
84.04510	30.5
84.35059	6.7
86.09706	19.5
87.71453	6.1
89.10392	7.7
92.06974	7.1
101.07136	9.2
132.10233	9.5
162.87309	8.1
179.05673	10.0
180.04091	11.8
183.85028	6.9
193.95578	7.5
221.58461	8.7
224.24750	6.9
251.11473	9.7
314.16714	8.9
320.86633	8.8
379.17218	9.8
390.17624	16.8
450.21225	9.1
468.22162	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	599.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52124	3.8
53.35710	4.2
53.42793	4.5
55.05497	12.2
57.07056	19.8
59.44705	4.0
67.05482	21.7
69.07046	18.1
70.50645	4.8
71.08624	11.7
72.04527	6.9
78.03806	5.3
79.05481	14.6
81.07051	33.3
83.08605	9.4
85.06493	7.3
85.10154	7.7
91.05469	14.8
93.07016	28.0
95.08586	36.3
105.07016	16.5
107.08588	23.3
109.10152	16.0
111.04423	9.8
112.07410	4.8
114.03760	6.2
115.05382	4.7
119.08563	13.6
121.06467	6.0
121.10127	18.5
123.07993	6.8
123.11705	10.2
129.06929	5.3
131.08519	9.0
132.04770	9.8
133.10155	6.4
135.07988	7.2
135.11691	12.1
139.07603	7.1
143.08554	7.0
145.10135	10.8
147.08075	13.9
149.07468	12.9
149.09564	7.5
157.10063	7.5
159.11720	9.7
163.11183	7.5
163.14787	6.1
165.09122	16.4
167.10678	15.2
171.11678	6.1
177.16496	5.6
181.12251	8.1
183.11546	6.3
185.28761	5.0
203.14287	5.4
221.15268	25.7
223.17000	10.5
237.18547	16.6
293.24695	21.2
295.31537	5.6
324.75537	6.2
392.27994	12.6
469.30978	100.0
480.72705	5.7
518.48132	5.7
581.36078	14.8
599.41022	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	599.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	1.9
55.05503	26.5
57.07057	3.4
67.05496	2.2
69.07047	3.1
70.06230	1.3
70.06577	7.9
71.61915	1.5
80.85043	1.6
81.07076	2.7
82.06566	5.8
83.04971	5.7
83.08611	25.4
84.08134	3.1
85.06518	3.1
94.31293	1.6
96.08128	1.9
98.09680	4.5
100.07606	21.1
100.11252	77.7
101.05997	1.8
110.06046	3.3
111.04435	27.4
112.07606	10.2
126.09111	8.6
127.08668	2.7
128.07074	23.5
129.05481	2.5
139.08705	3.2
140.07079	11.9
164.14406	2.3
182.15408	84.3
192.13828	2.4
209.16460	13.4
210.14879	100.0
214.12320	1.8
227.17627	6.3
228.15887	13.5
245.18565	8.7
288.81467	1.7
336.22836	3.5
337.21185	13.5
355.22232	17.9
436.31567	2.8
453.34512	2.6
454.32407	4.1
563.38086	7.2
581.38971	31.4
599.30542	2.8
599.40173	54.4
600.40784	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	599.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70325	0.5
61.27364	0.5
62.48269	0.5
66.04687	0.6
67.05518	0.8
69.07076	0.7
74.51144	0.6
81.07041	0.8
94.04186	1.8
105.07059	0.6
109.10157	0.7
122.03645	4.1
137.05974	100.0
141.12790	1.1
170.15393	1.5
176.50307	0.7
181.72484	0.7
182.15450	2.1
246.16817	0.6
294.20731	1.7
300.31668	0.6
306.20563	3.3
368.71255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57610	8.3
53.40681	8.6
55.05485	12.8
57.07058	18.0
63.17867	10.0
67.05487	28.9
69.07043	15.2
79.05495	18.7
81.07044	46.4
83.04973	23.2
85.06541	12.4
91.05459	43.6
91.34498	9.2
93.07020	72.6
95.04971	41.3
95.08600	23.0
105.07021	71.1
107.08593	36.9
109.06504	13.8
109.10160	24.3
117.07001	19.0
119.08582	58.2
121.06499	17.1
121.10154	53.4
123.00684	10.5
123.08058	27.7
129.07091	12.5
131.08571	29.1
133.10144	35.5
135.08070	24.0
137.09650	17.5
141.07010	14.0
142.07727	24.8
143.08542	40.4
144.09238	10.4
145.10126	38.0
147.08064	29.3
147.11606	13.1
149.09604	27.0
151.07539	21.8
152.19388	10.1
155.08600	13.3
156.09355	15.0
157.10120	63.8
159.08015	25.4
159.11720	23.2
161.09648	16.3
165.09108	32.1
167.10631	22.5
169.10153	45.2
171.11705	28.6
173.09721	13.1
173.13362	13.2
174.16779	11.4
181.10104	14.1
183.11510	13.5
185.13292	19.8
193.10095	12.0
195.11746	17.8
197.13258	14.6
207.13875	14.4
209.13281	13.4
221.15344	46.1
232.12538	14.3
233.15387	38.3
235.14938	15.3
244.07079	11.1
259.53873	15.0
287.19772	11.4
324.37677	11.3
379.51620	11.4
507.34705	62.5
599.40942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.0
57.07064	9.4
67.05484	17.7
69.03413	20.9
69.07056	12.3
69.17297	9.2
79.05488	19.1
81.07055	35.9
83.04965	25.0
83.08626	14.4
85.15599	8.8
91.05463	33.2
93.07034	44.6
95.04977	24.8
95.08596	30.6
105.07009	66.2
105.74928	10.2
107.08578	38.8
109.06503	20.3
109.10133	15.5
117.07059	16.8
119.08568	67.9
121.06489	11.2
121.10144	45.2
122.10666	11.0
123.08071	23.8
125.05961	13.0
129.07040	19.6
131.08560	24.8
133.10107	29.1
135.08078	26.3
135.11729	13.2
135.14952	9.5
137.09616	11.2
142.07782	12.2
143.08569	30.5
145.10147	35.2
147.08080	25.1
147.11642	10.8
148.52333	10.0
149.09537	17.1
151.07539	27.1
155.08455	11.6
156.09378	22.7
157.10106	29.0
159.08022	23.2
159.11652	17.3
161.09624	14.1
163.11176	13.5
165.09105	27.3
167.08534	10.4
167.10696	23.3
169.10071	19.2
171.11765	15.1
173.09607	12.0
181.10136	13.1
183.11674	20.4
189.12854	11.3
192.09297	12.3
195.11638	11.6
197.13312	24.3
203.14410	13.4
207.11699	17.0
208.12477	12.5
209.13266	11.8
221.13487	14.3
221.15424	46.1
227.18115	10.5
233.15434	35.4
243.11575	10.4
507.34610	79.0
511.11005	10.6
591.21527	12.3
599.40643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.7
55.01858	7.5
55.05503	38.6
57.03425	7.0
67.05499	81.6
69.03413	6.2
69.07055	23.2
71.04996	8.8
79.05478	62.5
81.07053	100.0
83.04963	13.3
83.08614	35.9
85.06509	7.7
91.05498	58.5
91.71046	9.3
93.07036	90.4
95.04957	33.7
95.08585	61.7
97.06538	10.8
105.07030	56.2
107.04892	7.7
107.08585	33.3
109.06512	14.8
109.10151	22.6
111.08089	9.9
115.21172	6.6
117.06993	20.4
119.08576	51.5
121.10142	43.4
123.08093	15.0
123.11716	13.1
125.09615	7.2
130.89345	6.4
131.08574	25.8
133.10162	33.4
135.08018	7.9
135.11717	16.0
137.09586	8.3
143.08566	12.2
145.10153	30.9
147.11694	28.0
149.09615	10.9
157.10155	20.7
159.11703	18.2
163.11182	10.7
165.09109	11.5
169.10194	8.7
171.11670	9.6
179.35378	7.9
181.12170	6.6
215.14485	8.1
221.15379	22.5
237.16451	6.9
263.40701	7.1
275.20126	18.6
307.22809	22.6
349.23645	15.9
581.41656	17.9
599.42145	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	599.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33923	5.5
55.05501	19.1
57.07064	11.6
67.05497	86.6
69.07059	22.5
71.04993	6.6
79.05489	53.6
81.07043	100.0
83.05005	9.5
83.08591	7.7
85.06535	13.2
91.05468	49.6
93.07035	99.0
95.04965	20.2
95.08585	61.4
96.36488	6.6
97.06532	22.3
98.44357	7.0
105.07028	52.4
107.08591	38.6
109.10153	31.9
117.07032	19.1
119.08582	38.1
119.84703	6.8
121.06517	10.9
121.10121	46.1
121.40622	7.4
123.08044	11.9
123.11678	14.6
131.08571	33.1
133.10155	31.3
135.11687	18.0
137.09579	7.8
143.08533	10.0
145.06520	8.0
145.10094	35.1
147.08115	12.4
147.11682	17.1
149.13231	12.2
157.10115	13.4
159.11720	16.4
161.13187	9.2
163.11154	12.9
165.09090	10.6
173.13216	9.4
181.12329	9.2
195.13977	7.4
215.17981	9.4
221.15422	23.4
233.18976	9.6
249.08304	9.1
275.19913	50.4
293.21106	11.4
303.84146	9.0
307.22540	40.9
319.14722	8.2
349.23666	37.6
364.13623	7.3
414.99792	9.6
459.76404	8.0
578.75970	8.9
581.41846	26.0
599.42151	18.7
620.34076	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	599.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.2
53.25277	2.9
55.01858	6.8
55.05501	23.7
55.37385	3.1
57.03407	6.1
57.07063	5.7
63.14199	3.3
67.05492	66.8
69.03396	5.7
69.07039	26.3
71.04968	6.5
79.05484	58.0
81.03394	4.3
81.07042	100.0
83.04971	6.0
83.08616	14.5
86.09695	3.7
91.05473	52.3
93.07030	67.3
95.04960	17.2
95.08593	44.7
97.06499	9.9
105.07022	50.5
107.05003	3.9
107.08606	28.1
109.06512	14.5
109.10148	14.4
111.08064	4.8
117.07003	12.5
119.08564	28.1
121.06518	6.0
121.10135	38.5
123.08058	12.2
123.11684	11.4
123.46248	3.8
129.07004	8.7
131.08528	21.9
133.10136	17.5
135.08128	4.8
135.11766	8.5
141.06941	5.5
143.08554	8.3
145.10126	19.9
147.08026	4.9
147.11653	26.7
151.07480	6.4
155.08699	4.4
157.10138	10.3
159.11673	8.5
161.13188	3.9
165.09068	8.5
165.12720	5.6
169.10097	7.4
171.11649	8.8
173.13168	7.0
177.12660	4.7
177.70018	4.2
181.12183	5.1
183.11696	5.3
186.78471	4.4
197.13245	7.1
203.14360	5.2
209.13240	5.7
211.14847	5.6
221.15347	17.5
223.14819	4.5
227.71667	5.0
267.15891	5.8
275.20059	22.5
335.25562	10.0
349.23837	11.0
368.33322	4.7
599.42413	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	599.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01320	4.1
55.01869	5.6
55.05509	16.1
56.99032	4.5
57.03437	19.5
57.07068	7.4
67.05496	97.8
69.03426	6.3
69.07068	34.5
71.05009	5.0
77.65686	5.4
79.05482	62.6
81.07048	94.8
81.07458	5.6
83.04980	10.6
83.08620	8.9
85.06590	9.2
89.06052	5.5
91.05471	73.2
91.71049	12.9
93.07040	95.1
95.04977	16.3
95.08601	64.4
97.06557	32.5
105.07023	62.8
107.08583	39.7
109.03861	5.2
109.06563	5.1
109.10175	17.4
117.07061	23.8
119.08586	46.2
119.09290	5.4
121.10136	27.3
123.08108	9.0
123.11787	10.2
131.08627	26.1
133.10135	29.1
135.08041	8.9
135.11751	13.8
137.09660	11.3
145.09151	7.3
145.10129	30.5
149.13336	7.9
149.92711	5.9
159.11761	16.8
165.09128	10.1
165.21225	6.0
171.09337	5.5
183.11792	8.3
219.17451	80.5
219.19255	6.7
221.15396	14.5
244.32260	5.7
257.18811	7.4
259.41449	6.0
275.19907	42.3
297.85245	7.6
307.22681	100.0
349.23767	13.6
581.42090	24.1
599.40894	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	599.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
53.83249	3.4
55.01858	7.1
55.05260	4.6
55.05505	67.4
55.05753	8.6
56.92257	3.3
57.03416	16.7
57.07054	4.2
67.05173	7.3
67.05496	100.0
68.65236	4.0
69.07050	27.5
71.04976	6.1
78.24246	3.9
79.05479	72.1
81.00852	4.5
81.03386	6.5
81.07047	80.7
83.04948	10.5
83.08607	84.2
89.06017	6.2
91.05469	66.0
93.07035	82.6
95.04961	21.8
95.08591	59.6
97.06512	7.5
99.10934	4.1
105.07024	44.3
107.04948	35.5
107.08578	37.2
109.10139	19.7
111.08105	10.6
117.07018	25.3
119.08582	38.6
121.09404	5.1
121.10114	32.0
123.08054	10.4
125.90582	5.0
131.08595	23.5
133.10109	22.3
135.11678	18.8
137.09650	6.3
143.08525	7.5
145.10120	30.8
147.08078	8.7
147.11717	10.4
149.09634	26.1
157.10059	7.9
159.11728	14.3
161.13339	10.3
163.11177	22.9
173.13324	7.6
185.13344	5.9
201.16432	8.2
243.29250	5.4
251.73705	5.6
275.20029	24.0
276.05484	5.2
293.20987	8.4
307.22696	75.3
335.25656	5.7
349.23676	19.6
517.45178	6.1
581.41919	31.2
599.41852	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	599.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	55.3
57.03429	13.7
67.05499	81.2
69.07056	45.3
74.90568	13.3
79.05487	63.6
81.07047	86.3
83.04951	20.9
83.08601	48.1
91.05469	66.3
93.07020	96.3
95.04953	39.4
95.08601	85.7
97.06512	38.7
105.07027	79.7
107.08572	100.0
109.06496	29.0
109.10136	26.1
117.06997	34.5
119.08576	71.1
121.10167	64.8
123.08043	19.4
126.29715	16.5
131.08575	37.8
133.10097	27.3
137.09587	17.8
139.11229	23.9
143.08585	30.1
145.10086	41.5
147.11610	20.2
154.12175	17.7
157.10165	61.1
159.08057	22.3
159.11717	19.3
167.10603	23.6
190.94286	16.8
194.52077	15.0
195.24821	17.9
197.13239	23.9
209.13255	19.2
211.14819	19.1
216.70526	17.6
221.15366	19.7
233.15483	23.5
235.67181	15.3
268.76126	19.4
307.22803	17.4
316.77731	20.2
398.66226	17.8
536.63513	18.7
607.02655	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	600.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63098	0.7
53.23429	0.7
55.01870	0.8
55.05489	1.9
57.03196	0.9
57.03431	8.4
61.02905	1.1
69.03424	4.1
70.06597	1.4
71.01335	1.0
71.04983	78.1
73.02898	2.4
75.04476	5.6
81.03405	1.4
83.04974	13.1
83.06057	0.8
85.02896	100.0
86.06061	3.3
87.04457	1.8
97.02893	5.1
99.04424	1.9
107.04946	29.1
108.54472	0.8
109.02909	0.9
111.04461	4.4
119.04929	1.1
121.02963	0.9
121.06528	2.2
127.03888	2.4
129.05473	30.4
135.04402	8.7
137.05992	1.7
145.04936	1.8
147.06523	9.9
148.01465	0.9
151.03923	3.9
152.85101	1.0
163.03896	37.4
164.09158	4.9
174.24203	1.0
181.04948	2.7
188.09143	1.6
228.94853	1.1
229.08595	1.6
239.06987	1.0
257.08075	34.5
275.09116	17.0
281.08313	1.9
292.11667	1.2
299.09131	3.8
323.09183	2.0
367.11789	2.1
385.12579	1.0
393.32797	1.0
403.13797	5.5
407.91086	1.0
610.24188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82641	1.4
55.01862	2.0
55.05499	4.8
58.99582	15.2
67.05496	11.4
69.07043	10.1
71.64809	1.5
76.02219	100.0
76.03994	2.6
79.05481	7.4
81.07052	14.1
83.04969	2.1
83.08608	1.9
84.04499	19.3
86.30823	1.6
86.99056	4.1
88.02243	2.0
91.05478	7.0
93.07052	12.7
95.04948	2.5
95.08598	7.3
100.02207	2.9
105.07022	11.3
107.08582	4.7
109.06519	5.2
109.10160	2.8
116.01665	24.6
117.07045	3.3
119.08604	5.5
121.10137	3.8
130.05028	6.5
131.08577	5.8
133.06514	1.9
133.10117	7.9
134.35388	1.8
135.11731	2.5
142.03244	6.4
144.01137	9.8
145.10144	4.3
147.11723	4.9
151.11125	2.1
159.11702	4.0
161.09663	2.4
162.02182	40.6
170.02747	2.9
179.04845	97.1
187.05371	2.9
207.13794	3.0
233.05898	12.6
257.19113	3.0
273.18445	2.5
275.20047	23.2
291.19418	4.1
293.21033	14.1
308.09094	23.6
368.22556	7.1
400.73917	2.0
453.24103	4.8
600.28967	3.7
626.36627	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
56.30433	5.8
59.00690	4.3
67.05499	8.6
69.07066	5.9
70.67708	4.9
76.02192	7.1
77.11753	5.5
77.38508	6.6
79.05460	9.1
81.07053	31.4
81.75761	5.1
84.04478	8.5
86.09719	6.9
87.69742	5.9
91.05492	11.1
93.07061	15.4
95.08599	22.2
100.02196	10.6
105.07024	18.5
107.08591	10.7
109.06513	9.6
110.68996	6.2
112.02180	14.0
114.03757	10.3
119.08644	8.0
131.08592	7.9
134.39854	5.6
135.56508	6.6
140.05263	10.6
145.10133	7.9
168.08420	20.2
173.13281	7.0
209.15375	6.8
217.39748	6.4
227.15268	7.4
236.10428	6.5
264.14160	11.2
275.20078	15.5
278.23404	8.3
282.15228	45.5
333.18423	8.6
350.21417	8.5
368.22525	18.1
384.16702	14.9
453.24173	100.0
551.99036	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	17.8
60.01627	9.8
65.28620	10.5
67.05491	18.5
69.07050	16.3
73.57388	10.8
74.14479	9.9
79.05455	23.6
81.07051	42.3
81.87242	13.1
83.04959	21.3
83.08587	17.0
89.06021	42.2
91.05485	45.9
92.35010	11.3
93.07042	61.3
93.90183	11.9
94.22267	10.9
95.04961	19.7
95.08582	31.6
95.46465	11.7
105.07030	100.0
107.08584	39.3
108.37511	12.2
109.10165	25.6
117.07019	25.8
119.08608	72.6
121.10123	75.3
123.08056	29.4
125.09622	13.1
129.06946	22.8
131.08569	41.6
133.08624	36.7
133.10121	34.6
135.08060	20.6
139.73853	12.2
142.07799	17.3
143.08568	41.4
145.10133	46.3
147.08040	15.4
149.09647	24.9
155.08595	15.7
157.10146	53.4
159.08018	15.3
159.11671	29.8
167.10637	16.6
168.09508	14.7
169.10010	15.9
171.11623	19.3
173.13362	23.8
173.33844	16.1
181.10168	14.9
183.11649	20.3
185.13246	22.4
193.10138	24.3
197.13290	19.4
199.14780	15.5
207.11615	22.9
209.13249	16.2
221.15350	16.3
255.17490	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	26.9
63.27971	11.0
67.05508	43.0
69.07081	32.1
69.50287	12.0
79.05476	36.3
81.07068	62.0
83.04976	22.7
85.01685	12.9
91.05507	59.4
93.07050	59.4
95.04979	29.4
100.47925	14.5
105.07024	100.0
107.08581	76.1
109.06539	26.3
109.10189	40.2
112.81712	13.6
115.93417	13.8
119.08582	87.0
121.10175	35.8
123.08084	35.7
128.06265	16.0
131.08603	30.0
133.10191	49.9
142.07928	15.8
143.08615	56.7
145.10095	74.3
147.08064	24.1
149.09612	24.8
152.06683	17.1
155.10716	23.2
156.09358	22.2
157.10124	68.9
159.08125	27.8
159.11763	26.7
165.09039	16.7
167.10626	28.4
169.10199	35.2
171.11691	35.8
173.09628	16.7
173.13365	18.1
179.08614	20.1
183.11781	40.1
185.13165	18.5
193.10141	16.0
194.10901	20.0
195.11722	20.4
197.13257	23.4
209.13316	20.5
211.14838	20.0
221.13351	15.4
223.14902	14.7
233.15434	20.0
255.17590	24.1
267.67770	18.3
337.48477	14.9
343.25064	15.8
410.40918	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.5
57.07069	17.7
57.58165	6.2
66.41506	6.1
67.05492	29.6
69.03413	12.5
69.07054	19.3
79.05473	24.6
81.07053	55.2
83.04976	18.3
83.08615	12.8
85.06528	11.2
89.06020	58.4
91.05474	51.7
93.07034	60.0
95.04961	28.8
95.08604	35.9
96.98765	6.8
97.06535	20.5
105.07016	100.0
107.08582	81.9
109.06488	12.8
109.10160	31.7
116.09608	7.9
117.07007	25.8
119.08583	99.7
121.06504	12.0
121.10144	61.8
123.08056	25.9
125.09661	11.6
128.03912	8.4
128.06229	11.0
129.07010	24.5
130.07808	9.9
130.08664	11.1
131.08569	47.5
133.06462	10.4
133.08582	35.9
133.10109	44.1
135.08051	12.5
135.11673	12.9
142.07762	15.2
143.08540	60.5
144.09328	9.6
145.10139	49.6
147.08105	10.4
147.11703	21.8
151.07524	10.3
153.06964	9.1
155.08583	17.8
156.09366	21.6
157.10114	66.4
158.10876	13.7
159.08031	16.3
159.11699	44.4
161.09622	16.8
163.11171	10.1
167.08536	14.5
167.10664	16.5
168.09354	11.9
169.10164	32.1
170.10887	11.8
171.11696	31.5
173.09593	9.5
173.13326	17.1
175.11134	17.8
177.11296	13.6
179.08481	13.5
181.10049	13.1
183.11726	22.8
184.12436	9.8
185.13257	21.2
187.11250	9.9
189.12875	10.0
190.13312	9.2
193.10159	20.9
194.10957	13.1
195.11781	13.9
196.12341	15.0
197.13245	27.7
199.14847	12.7
203.14383	9.8
207.11710	14.6
209.13284	17.4
211.14894	14.9
211.23172	7.9
215.14275	10.1
221.13274	17.8
221.15395	20.2
223.14813	10.3
233.15422	19.2
237.16371	14.7
251.17957	9.8
255.17490	19.5
270.19962	9.7
274.31094	7.8
345.75623	8.1
549.32324	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21408	6.0
54.64640	6.8
55.05497	22.6
57.07071	9.7
67.05485	37.3
69.07045	26.1
71.04965	10.9
79.05481	30.6
81.07040	40.8
83.04967	13.9
88.62458	6.6
91.05458	53.9
93.07045	77.4
95.04962	34.1
95.08595	35.9
97.06547	19.9
104.32037	8.8
105.07024	100.0
107.08585	77.4
109.06503	31.7
109.10149	37.3
115.05412	8.3
117.07008	27.0
119.08577	97.7
119.09386	12.4
121.06508	20.4
121.10140	71.6
123.08069	37.5
125.09617	12.6
128.06219	25.7
129.06993	21.6
131.08571	42.4
133.06432	10.2
133.10130	51.5
135.08092	12.7
135.11636	10.0
137.09581	14.9
141.07083	11.5
142.07765	35.2
143.08546	53.6
145.10114	59.9
147.08070	11.1
147.11752	18.2
149.09605	13.1
155.08554	16.8
156.09332	21.2
157.10101	69.1
157.52385	10.4
159.07997	17.4
159.11734	49.2
161.09566	12.1
161.32401	8.8
163.11143	8.9
167.10663	22.9
169.10098	22.6
170.10791	13.0
171.11682	31.5
173.09630	10.0
173.13297	25.0
175.11209	14.4
179.08563	13.0
180.09355	9.7
181.10149	23.0
183.11662	28.6
185.09671	9.6
185.13202	19.5
187.11137	11.7
189.12744	11.6
191.14293	8.9
193.10110	10.5
195.11699	30.9
196.12474	11.3
197.13251	21.6
199.14740	13.2
201.12627	10.2
207.11700	22.8
209.13342	21.2
211.14853	11.6
220.12411	12.4
221.15318	18.7
223.14716	15.8
227.14372	9.1
233.15387	12.0
235.14720	11.4
247.14781	10.5
255.17459	23.2
269.18945	13.7
352.24130	14.2
352.51602	10.3
452.89359	10.4
600.41284	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.0
57.07052	15.1
63.16520	9.6
67.05491	32.9
69.03431	23.3
69.07050	16.9
79.05479	24.5
81.07050	43.6
83.04968	28.5
91.05479	58.7
93.07032	72.1
95.04975	30.5
95.08584	26.1
97.06505	14.9
105.07017	100.0
106.62062	10.9
107.08559	61.4
109.06532	40.6
109.10179	17.9
117.07038	33.8
119.08557	76.3
121.06480	19.1
121.10142	50.0
123.08063	28.7
125.09653	18.9
128.06232	28.2
129.07013	27.6
131.08589	41.9
133.10120	35.3
135.08061	24.0
137.09607	13.3
141.06990	14.1
142.07762	28.4
143.08551	43.9
145.10104	80.9
147.08022	40.4
147.11671	20.4
149.09592	16.0
151.07492	20.4
155.08611	13.8
156.09352	22.2
157.10120	62.3
158.10748	16.6
159.07988	25.3
159.11665	27.1
161.09622	20.9
163.11232	22.2
165.09126	29.1
167.10658	19.4
169.10098	19.2
170.10796	12.8
171.11681	33.8
175.11212	22.9
181.10165	13.6
182.18990	11.6
183.11707	27.6
187.11172	12.3
195.11714	27.9
197.13277	35.2
201.12871	15.0
203.14290	27.2
207.11786	13.9
207.13724	17.1
209.13246	23.9
211.14894	14.8
219.11618	11.6
221.15308	63.5
222.20753	13.3
225.12885	15.5
233.15369	22.1
237.14905	30.9
255.17369	19.5
260.76324	12.5
303.19507	30.8
325.21588	18.0
352.23859	44.5
365.24823	21.8
443.95541	16.9
507.34827	27.6
520.35840	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.3
56.13760	9.1
57.07046	13.7
59.56037	10.2
60.08920	10.2
67.05494	23.9
69.03397	10.9
69.07057	10.6
69.58582	9.9
72.15331	9.7
76.70150	11.1
79.05486	24.0
81.07039	38.5
83.04971	25.2
84.89723	10.8
91.05469	41.2
93.07051	53.0
95.04967	27.0
95.08603	30.0
105.07043	75.8
107.08588	40.0
109.06532	19.2
117.07049	18.9
119.08569	65.6
121.06501	14.3
121.10155	59.1
123.08080	24.9
126.09715	11.0
128.06203	16.7
129.06972	14.1
131.08591	41.0
132.42096	11.4
133.06447	16.0
133.10155	40.5
135.08038	34.4
135.11678	15.9
142.07822	19.4
143.08586	50.2
144.09369	23.4
145.10173	61.7
147.08070	29.4
149.09584	26.9
151.07559	18.6
155.08569	18.2
157.10056	74.9
159.11778	28.7
161.09607	21.3
165.09116	44.3
167.10649	15.1
169.10191	21.1
170.33156	13.5
171.11642	19.4
173.13341	13.7
175.11215	29.5
183.11702	25.7
185.13257	27.6
203.14380	29.7
209.13240	14.4
212.81239	12.8
219.66817	12.3
221.13472	23.2
221.15414	100.0
237.14865	20.3
255.17622	21.7
299.19995	13.5
303.19601	40.7
313.21683	19.9
352.23941	60.8
507.35001	14.1
520.35181	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20166	12.1
55.05499	15.3
56.22836	10.4
57.07071	18.1
58.64138	10.3
62.29736	10.5
67.05492	27.6
69.03433	22.6
71.04993	13.4
75.13885	12.9
77.83561	11.8
79.05490	34.1
81.07043	42.6
83.04939	18.8
91.05482	56.9
91.71647	28.2
93.07034	82.6
95.04948	40.9
95.08600	36.1
105.07011	100.0
107.08584	26.6
109.06532	17.6
109.10146	25.0
117.07005	18.4
118.25311	13.8
119.08553	84.3
121.06514	24.8
121.10158	22.8
123.08076	34.2
129.07004	37.6
131.08565	42.1
133.10101	36.8
135.08035	25.8
137.09683	18.9
142.07780	42.1
143.08562	40.4
144.09322	16.7
145.10101	67.7
147.08058	43.2
149.09634	20.5
151.07565	20.4
154.50085	13.7
155.08569	20.6
156.09320	19.1
157.10114	48.9
159.08115	15.2
159.11697	34.6
160.08754	14.4
161.09695	26.1
165.09105	44.3
169.10159	23.6
171.11716	20.3
173.13269	18.5
195.11784	28.7
199.11287	19.4
203.14406	15.8
208.12527	24.3
208.14404	14.3
221.15359	84.5
237.14850	37.1
287.19733	15.3
303.19589	54.4
352.23840	76.7
520.35352	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55883	13.9
56.77626	13.8
67.05477	15.9
81.07061	24.0
85.78700	17.7
89.06030	100.0
90.93230	17.0
93.07050	29.6
94.33428	18.3
105.07060	25.2
119.08599	20.9
121.10156	20.8
133.08606	83.6
145.10106	35.0
157.10153	21.1
159.11687	26.0
160.06438	17.3
160.08762	43.8
165.09053	29.0
197.13298	22.9
221.15395	39.1
294.01813	23.4
311.51544	21.3
312.20654	20.1
352.23984	24.6
367.70596	21.9
415.25696	30.1
619.56738	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29433	17.5
53.77716	16.4
54.00782	18.2
57.07072	20.1
60.70662	16.5
62.90322	16.6
73.62981	18.9
76.53635	19.4
85.13000	21.4
89.06039	100.0
93.07044	23.5
95.04907	31.4
95.08649	28.0
105.07013	31.4
107.08642	25.1
117.07056	26.9
119.08575	54.7
121.10112	43.1
130.08636	41.0
133.08603	55.5
145.10141	25.6
157.10089	33.3
160.08856	37.8
167.03587	22.3
177.11201	27.6
196.24605	24.7
202.36855	22.5
221.15431	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	34.3
59.59380	17.2
65.22198	19.3
67.05497	42.3
69.07039	39.0
69.78677	16.9
75.27322	19.4
79.05473	33.1
81.07049	80.1
89.06008	100.0
91.05493	61.1
91.70995	36.4
93.07051	29.7
95.08605	39.7
105.07019	38.4
107.08578	46.6
109.06497	28.7
109.72552	22.1
114.06698	19.3
119.08590	88.3
121.06561	21.9
121.10165	52.5
123.08112	21.4
125.06035	19.5
130.08643	26.9
131.08641	31.5
133.08626	64.2
133.10126	52.7
135.08011	35.5
143.08630	24.8
145.10138	53.1
147.08142	38.3
147.11679	28.0
149.09692	25.1
153.08762	20.1
157.10109	47.2
163.11189	34.5
165.09145	50.6
177.11142	34.7
203.14374	43.7
214.23566	22.9
221.15453	63.2
222.55971	22.7
233.35098	21.2
234.16119	26.2
244.23877	26.1
247.16882	44.0
274.48969	25.3
295.33173	24.6
299.20248	28.5
340.24341	31.2
352.23688	41.8
393.98514	22.4
425.26544	26.0
440.29233	30.0
449.94574	23.1
479.99075	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.0
56.87552	13.3
63.85909	11.8
67.05509	43.6
69.07072	33.3
75.50480	14.4
79.05503	50.8
81.07041	77.2
83.04971	21.3
83.35720	12.4
84.88099	13.5
91.05477	71.7
93.07018	96.0
93.63091	14.4
95.04993	33.8
95.08644	45.6
105.07025	100.0
107.08623	56.4
109.06541	21.4
109.10160	25.7
117.06979	20.5
119.08567	86.6
121.06490	17.1
121.10178	39.0
123.08154	26.4
129.07056	26.3
130.07869	17.4
131.08632	41.8
133.10194	45.1
135.08075	30.7
135.11737	26.0
141.07074	16.8
142.07930	16.2
143.08548	36.0
145.10182	50.5
147.08083	23.6
147.11694	24.2
149.09651	21.7
151.07617	18.9
156.09386	20.8
157.10144	54.5
159.08083	24.2
159.11755	26.1
161.09705	28.0
165.09091	40.3
169.10109	31.5
171.11740	23.5
173.13307	23.0
175.11342	21.4
183.11859	23.2
185.13219	16.2
189.12785	23.6
190.13490	17.5
195.11737	21.9
203.14345	21.0
221.15488	50.0
236.14981	17.2
274.19156	21.3
286.19080	17.6
299.20062	17.2
303.19675	26.4
313.21829	16.3
352.24069	65.4
520.35889	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20269	14.2
55.05497	17.8
57.07064	19.1
59.33113	12.3
64.75740	14.5
67.05506	29.8
69.07057	16.8
79.05479	21.2
81.07035	42.6
83.08607	21.1
83.13972	14.2
89.04646	17.2
89.06033	100.0
93.07034	25.8
105.07021	48.0
107.08576	18.7
109.10134	25.2
111.23136	17.3
119.08582	29.8
121.10154	27.2
130.08653	25.9
131.11786	17.4
133.08598	72.2
133.10155	25.0
143.08542	21.4
145.10100	27.6
155.31448	17.4
157.10196	20.2
159.11777	16.9
160.08795	20.5
206.50273	19.0
216.87505	21.3
221.15451	23.6
545.53174	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	600.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.6
57.07074	43.2
57.51670	4.1
65.25836	4.1
67.05492	10.1
69.07060	8.2
71.08622	26.8
73.06546	8.9
79.05484	7.3
81.07042	13.0
85.10167	23.8
87.04449	8.8
89.06024	100.0
91.05486	18.5
91.71627	5.9
93.07015	30.9
95.04992	8.1
95.08598	12.7
105.07027	24.0
107.08603	19.6
109.06521	7.8
109.10160	11.6
114.09162	6.3
117.07070	6.4
117.09170	5.9
119.08582	25.8
121.10179	15.2
128.06154	7.0
130.08656	30.3
131.08588	15.2
133.08601	64.4
133.10141	12.5
142.07800	7.4
143.08554	16.3
145.10141	24.3
151.07574	5.7
155.08591	11.0
156.09386	9.3
157.10165	16.1
159.11688	11.6
169.10048	5.9
170.10834	5.8
171.11679	14.3
173.13286	9.1
177.11237	24.1
181.10120	7.9
183.11751	5.8
183.18864	5.8
185.13335	8.8
209.13382	5.9
255.17422	6.6
289.94080	5.8
294.04855	6.7
415.25287	10.0
453.47992	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.5
57.07059	7.5
58.47532	3.8
63.95692	3.0
67.05487	13.2
69.03403	8.0
69.07067	5.2
69.28377	3.7
79.05479	8.9
79.07286	3.3
81.07062	20.8
83.04949	6.5
91.05471	22.8
93.07039	32.4
95.04967	8.8
95.08601	19.7
97.06512	4.5
105.07022	35.2
107.08549	20.5
109.06518	9.5
109.10183	9.9
116.85288	3.4
117.06997	7.5
119.08583	37.7
121.06586	5.3
121.10150	22.9
121.49519	3.6
122.06237	4.6
123.08069	11.9
129.07025	8.2
130.07826	6.4
131.08578	11.0
133.06398	5.3
133.10133	23.0
135.08041	9.5
137.09601	9.4
142.07822	5.1
143.08549	16.3
144.09363	5.1
145.10094	35.4
147.08046	24.2
147.11728	5.7
149.09610	4.4
151.07568	12.8
156.09380	5.2
157.10104	23.9
159.11743	21.7
161.09636	7.3
163.11214	11.0
165.09079	51.2
167.08530	6.5
169.10089	10.0
171.11703	9.2
175.11339	4.3
181.12274	9.0
183.11687	6.8
185.13289	8.1
187.14925	5.3
191.14204	5.1
195.11781	5.4
197.13228	8.4
203.14339	16.2
207.13820	7.8
221.13434	4.0
221.15347	100.0
222.15753	7.9
248.78688	5.8
340.23679	4.5
367.26331	7.1
441.29474	7.8
456.63962	4.3
491.34940	5.8
521.36212	8.2
583.41565	8.3
601.42334	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53854	4.0
55.05497	12.6
57.07058	10.9
67.05495	17.6
69.03419	12.6
69.07043	10.1
78.18306	4.5
79.05483	16.5
81.07056	35.6
83.08606	8.4
89.06013	8.8
91.05474	32.3
93.07041	47.3
95.04944	13.0
95.08596	23.1
97.06504	5.6
105.07035	45.8
107.08604	35.8
109.05733	4.9
109.06519	13.9
109.10143	13.3
117.06983	15.4
119.08581	50.4
121.06519	9.1
121.10130	23.2
123.08057	19.5
126.14407	5.7
127.45921	5.1
127.80839	5.3
128.06282	6.9
131.08540	27.0
133.10132	18.3
135.08055	19.0
135.11641	9.0
137.09622	18.6
142.07814	6.8
143.08580	17.5
144.09370	7.5
145.10127	38.5
147.08009	30.5
147.11667	8.5
151.07545	13.4
155.08575	8.4
156.09378	7.2
157.10179	25.3
159.11694	19.6
161.62784	5.9
163.11093	7.1
165.09102	48.6
169.10179	12.7
171.11688	16.6
181.12253	6.4
183.11617	8.4
185.13184	8.9
189.12851	6.1
195.11772	8.3
203.14348	20.2
207.11646	6.0
211.33704	5.7
221.13327	12.3
221.15353	100.0
445.25800	6.0
460.57013	7.2
465.74954	7.2
521.35944	8.5
601.41882	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08552	4.5
52.44412	4.5
52.80880	4.6
55.05503	12.2
57.07059	13.6
64.07545	4.6
67.05485	20.0
69.03420	15.0
73.99612	4.8
77.34847	5.5
79.05477	19.6
81.07053	24.7
89.06025	15.0
91.05482	28.6
91.71113	4.9
93.07039	50.8
95.04942	21.4
95.08598	26.3
105.07029	55.2
107.08601	37.3
109.06526	11.0
109.10183	10.7
117.06992	12.3
119.08575	63.2
121.06532	8.7
121.10173	31.3
123.08057	23.6
124.08368	7.2
125.05965	6.6
128.06236	7.9
129.07010	9.8
130.07788	5.7
131.08586	20.0
133.06512	5.5
133.08578	13.9
133.10150	35.4
135.08069	21.0
135.11736	9.8
137.09674	15.8
142.07706	6.0
143.08554	22.7
145.10112	40.0
147.08084	42.2
151.07539	19.0
155.08588	6.2
157.10121	23.9
159.11652	15.9
161.13318	8.0
163.11243	11.0
165.09081	53.6
169.10121	13.0
171.11652	15.0
173.13264	8.8
174.95151	5.3
175.11227	7.8
181.12296	14.3
183.11703	8.0
185.13232	6.9
195.11703	5.9
197.13174	6.9
199.14963	6.3
203.14296	17.2
209.13249	6.9
221.13205	5.3
221.15305	100.0
222.15826	7.4
238.10249	5.7
287.20261	6.7
299.19867	6.5
329.50113	6.7
367.25797	7.9
441.29416	6.8
491.35294	10.7
601.42505	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	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.2
67.05486	31.5
68.82191	8.0
69.03405	12.3
69.07057	18.4
70.50541	9.1
79.05486	35.1
81.07041	51.5
83.04974	27.4
90.20964	8.8
91.05463	63.3
93.07034	88.7
95.04950	28.9
95.08584	51.5
97.06536	10.9
103.05530	11.4
105.07022	94.9
107.08586	75.4
109.06499	18.0
109.10156	34.4
111.08062	16.4
117.07018	24.5
119.08569	100.0
121.06542	10.6
121.10118	86.2
123.08060	13.0
125.09646	15.9
128.06195	16.5
129.06995	21.4
130.07809	13.1
131.08603	38.8
133.10071	51.7
135.08125	14.5
137.09581	12.3
139.58374	9.5
142.07779	33.3
143.08578	55.7
145.10123	76.9
147.08029	12.1
147.11710	24.5
149.09676	14.1
155.08545	10.8
156.09276	10.4
157.10114	54.5
157.66046	10.9
159.08047	22.9
159.11671	36.8
161.09543	12.7
163.11134	13.6
165.06911	10.4
167.10655	48.9
169.10132	15.7
171.11734	30.5
173.13251	22.7
181.10158	18.0
183.11664	35.9
185.13246	22.0
187.11105	11.4
194.10919	14.5
195.11853	19.5
197.13295	20.6
199.14873	10.3
207.11719	17.4
209.13321	19.3
211.14859	13.3
221.15364	15.6
231.67368	10.1
233.15364	15.3
285.84518	11.8
403.63855	10.9
493.75626	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.3
57.07069	15.2
59.04974	5.1
67.05489	13.5
69.03428	11.6
69.07053	10.0
79.05489	12.2
81.07047	30.7
85.06543	7.0
91.05456	35.3
93.07043	53.6
95.04971	12.3
95.08596	31.7
96.08906	4.6
97.06504	5.5
97.93896	4.6
105.07038	56.5
107.08590	26.2
109.06516	14.2
109.10155	12.9
117.07030	17.9
119.08570	61.3
121.10146	26.8
123.08057	20.0
128.06308	8.4
130.77090	5.0
131.08574	23.0
133.10092	27.6
135.08046	9.4
135.11749	9.1
137.09657	11.3
142.07765	8.1
143.08582	17.4
145.10118	32.4
147.08022	29.3
147.11601	7.1
149.09633	6.8
151.07545	11.9
155.08595	9.4
156.09450	7.0
157.10136	21.1
159.11649	30.2
161.09663	6.0
161.13205	6.6
163.11194	16.8
165.09100	66.4
167.08582	5.9
169.10176	12.6
171.11731	12.3
173.13225	6.6
181.12415	5.0
183.98132	6.6
187.14777	6.8
195.11705	7.2
197.13252	10.7
203.14326	19.4
221.13144	4.4
221.15315	100.0
223.14737	7.9
247.17017	8.8
258.64514	7.1
263.01889	5.5
326.21857	6.2
341.15924	5.7
352.23792	7.7
367.26093	6.0
410.13113	6.1
440.29196	7.6
441.29562	10.0
491.34750	8.8
521.36121	8.0
579.83337	7.8
583.41614	8.5
601.42151	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
57.07048	10.3
59.04963	4.8
67.05502	15.5
69.03410	13.3
69.07063	7.1
72.07623	2.8
79.05467	9.0
81.07042	25.7
83.08633	3.7
88.12029	2.8
89.06013	8.3
91.05111	2.5
91.05479	28.0
93.07034	36.8
95.04937	9.4
95.08597	24.4
105.07019	42.7
107.08595	23.3
109.06507	9.1
109.10143	9.7
111.08137	3.4
117.07012	11.4
119.08570	43.1
121.06484	5.8
121.10138	22.7
123.08060	13.4
123.11635	3.6
128.06181	5.0
129.07057	7.2
130.07811	4.4
131.08582	18.7
133.08601	4.5
133.10103	19.9
135.08017	6.3
135.11703	10.1
137.09630	13.5
141.06993	3.2
142.07773	9.6
143.08568	14.1
144.09268	3.9
145.10121	37.2
146.10553	5.0
147.08017	28.6
147.11737	7.7
151.07561	12.3
155.08574	4.0
156.09261	4.7
157.10112	25.3
158.10823	4.1
159.11633	17.7
161.09605	6.2
163.11185	10.2
165.09097	46.9
169.10074	7.9
171.11711	13.8
173.13222	7.4
175.11206	5.8
175.14792	4.0
181.10045	4.7
181.12222	5.6
183.11725	6.9
185.13269	8.3
189.12796	5.7
193.10072	3.7
195.11749	5.6
196.12425	3.9
197.13258	7.0
201.12735	4.2
203.14374	13.4
206.11154	3.7
207.11786	6.3
207.13646	5.5
209.13266	7.7
221.13228	4.8
221.15331	100.0
222.15697	5.3
238.13017	3.5
256.15442	3.7
287.20081	5.0
329.04785	3.4
367.26163	5.1
402.93408	3.8
440.28806	5.5
521.35242	6.8
583.41083	6.3
601.42108	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13985	5.8
55.05494	24.2
57.07068	7.9
58.01048	6.3
65.03918	9.2
67.05488	44.4
69.03410	17.6
69.07045	37.7
71.24361	7.8
79.05474	33.4
81.07047	51.6
83.04970	25.2
83.08607	11.1
85.06561	7.8
89.06010	8.8
91.05472	69.9
92.28374	7.3
93.07034	82.8
95.04958	30.1
95.08601	35.4
97.06513	19.2
105.07014	97.8
107.08582	89.2
109.06516	22.0
109.10149	33.3
111.33945	8.4
117.07057	26.5
119.08576	100.0
119.10864	7.8
121.06497	13.3
121.10145	92.5
123.08095	14.8
123.11690	12.2
125.09618	11.7
128.06219	11.0
129.07002	17.6
131.08546	43.4
133.06558	11.0
133.10120	68.4
135.08037	17.8
135.11690	17.2
137.09589	13.3
141.07016	10.2
142.07776	24.9
143.08533	44.0
144.09251	11.2
145.10126	72.0
147.08113	10.2
147.11691	23.3
149.09595	17.4
155.08517	19.7
156.09314	26.9
157.10141	58.1
158.10741	9.4
159.08076	22.1
159.11649	41.0
161.09579	13.0
161.13257	14.4
163.11180	9.2
165.06976	13.1
165.09180	11.4
167.08548	12.9
167.10690	55.8
169.10124	25.8
171.11717	32.3
173.09546	11.2
173.13300	27.3
176.71123	8.5
179.08430	10.9
181.10208	19.4
182.10837	12.5
183.11615	11.0
185.13272	21.0
187.14774	11.6
193.10088	12.7
195.11789	20.9
197.13249	21.4
199.14857	13.4
206.10979	9.8
209.13269	24.0
211.14847	12.8
213.12642	13.9
221.13385	9.8
221.15398	21.1
223.14906	18.1
233.15427	26.7
237.16353	9.3
254.30661	8.0
269.19061	10.7
276.18588	8.8
360.46628	9.1
432.28339	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.0
55.05494	16.6
57.07057	19.5
57.32333	6.5
65.03944	7.8
67.05492	40.8
69.03423	19.6
69.07046	29.5
79.05489	32.0
81.07047	52.1
81.78542	8.5
83.04972	28.0
83.08597	18.8
89.06021	21.4
89.24300	9.6
91.05471	53.3
91.71633	18.5
93.07032	88.6
95.04939	28.0
95.08607	46.0
97.06525	17.3
103.05408	7.7
105.07021	100.0
107.08586	92.1
109.06506	21.3
109.10140	33.6
117.07023	24.3
119.08576	88.1
121.06528	10.7
121.10126	72.9
123.08060	13.0
123.11723	9.8
125.09625	17.9
128.06175	10.4
129.07033	10.6
131.08511	40.4
133.08571	13.1
133.10117	64.4
135.11694	11.6
137.09570	7.8
142.07765	28.6
143.08586	42.5
143.55014	8.1
144.09273	9.6
145.10123	83.9
147.08090	9.3
147.11742	25.1
149.09650	14.7
155.08539	25.9
156.09343	10.2
157.10144	51.0
159.08054	11.2
159.11713	27.8
161.09633	11.6
165.09113	11.6
167.10658	55.4
169.10141	25.4
171.11716	26.9
173.13307	15.9
182.10910	11.2
183.11732	27.1
185.13298	17.1
189.12761	10.1
193.10001	10.7
195.11636	25.9
196.12572	11.3
197.13391	10.1
202.60066	9.2
207.11713	19.2
209.13237	20.2
211.14816	11.6
221.13324	12.2
221.15428	26.5
223.14786	10.9
233.15353	23.0
261.16418	10.7
269.18857	14.0
274.71124	9.0
282.94583	10.4
616.63239	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	601.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64635	1.5
77.14719	1.8
80.37513	1.6
89.06016	1.8
115.37360	1.8
149.56201	1.9
224.67429	1.9
330.03973	2.5
601.46405	100.0
602.46857	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	601.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96699	5.2
53.00283	6.1
55.05511	36.7
57.03421	19.2
57.07070	30.9
59.33755	4.8
59.72576	4.9
62.52649	5.6
67.05496	44.2
68.84449	5.3
69.07059	64.9
71.08614	10.4
79.05496	16.0
81.07059	67.4
83.08613	46.3
89.00427	5.4
89.05994	7.5
91.05475	9.6
93.07050	39.9
95.05011	6.6
95.08616	46.8
97.10175	25.9
105.07027	24.3
107.08607	27.0
109.10144	26.4
110.36180	5.6
119.08591	22.0
120.71175	6.8
121.10142	30.3
123.11690	11.3
125.09657	8.0
126.25983	6.1
131.08566	7.9
133.10150	13.4
135.08072	6.1
135.11729	9.8
137.13310	8.5
139.11180	10.5
145.10094	16.0
147.08049	7.7
157.10130	8.2
159.11668	8.1
161.09598	8.8
165.09106	21.6
203.14102	7.1
214.60043	6.9
219.21129	8.3
221.15411	33.5
223.65726	7.7
237.22154	19.8
311.25812	100.0
314.91684	7.3
329.26855	41.2
332.63434	7.7
340.23456	7.2
532.38959	7.8
547.47186	27.2
601.41968	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	602.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24807	0.5
51.56368	0.4
52.96776	0.4
55.01844	0.4
55.78111	0.4
57.03414	1.4
61.02905	1.2
68.08858	0.5
68.58823	0.5
68.71891	0.5
69.03418	3.3
70.23340	0.4
71.01347	5.5
71.40868	0.5
72.96286	0.6
73.02895	2.4
76.86164	0.6
77.64902	0.5
79.05489	0.9
80.55524	0.6
81.03414	1.0
81.07054	4.7
85.02895	18.3
86.48010	0.5
86.98823	0.6
91.05470	10.5
97.02892	11.6
101.02378	1.3
103.03925	0.8
107.04952	0.6
109.02914	0.7
109.06519	7.3
113.02362	0.6
119.04932	4.5
123.04430	6.4
127.03912	2.6
128.69492	0.6
137.05974	100.0
138.06326	1.0
141.01817	0.9
145.04962	3.2
161.05952	2.2
163.06053	0.6
174.93771	0.6
201.05563	0.9
203.07025	0.8
231.55965	0.5
247.09627	30.7
264.12183	1.2
271.09625	4.9
313.10733	3.0
325.10602	0.9
343.11652	0.9
351.08597	1.4
368.13397	0.7
369.09866	0.8
387.10721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
57.03413	1.0
59.42427	1.0
61.02915	2.5
61.55721	1.0
65.03911	1.1
68.45375	1.1
69.03426	8.3
70.06581	3.8
81.03416	5.6
81.07048	11.2
85.02899	38.4
86.09717	1.2
91.05471	20.1
94.79268	1.2
95.04964	4.5
97.02893	10.9
99.04403	1.6
103.51625	1.0
107.04960	2.1
109.02882	2.5
109.06508	13.7
119.04929	17.1
127.03905	7.5
136.05186	2.4
137.05974	99.4
140.58321	1.2
145.04979	9.6
151.07532	100.0
163.05952	2.7
178.08711	1.2
212.28116	1.1
213.36217	1.1
259.66492	1.4
261.11197	64.7
262.11676	1.5
278.13831	1.3
367.09424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	13.0
57.50726	5.1
58.06594	5.2
58.39091	4.6
70.06579	41.2
70.37273	4.5
83.92220	5.5
88.07613	48.4
89.46446	5.3
102.09161	25.6
105.28056	5.2
125.03139	5.9
149.02335	55.7
187.10915	5.6
193.04953	70.2
200.20073	74.4
201.14449	5.5
228.79681	6.1
237.07674	18.0
245.46779	6.6
266.68948	5.8
286.57541	6.1
308.95496	6.3
385.09198	20.4
408.31055	5.7
429.11761	35.7
524.11182	6.2
602.29608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12457	1.2
53.27052	1.4
55.05486	1.5
56.05027	2.2
58.56095	1.3
67.05484	1.5
68.61591	1.2
69.03412	6.2
69.07060	2.2
70.06565	7.6
80.05013	1.3
81.03399	6.9
81.07042	3.8
82.05733	1.6
85.02920	10.1
86.09708	1.8
87.05579	11.5
88.03972	1.7
91.05488	8.1
93.07035	15.0
94.06568	2.4
95.04974	2.5
95.08582	1.6
97.02888	4.9
98.06030	2.1
99.04436	7.0
100.03967	6.7
103.03925	7.4
105.07022	46.1
106.84947	1.3
107.04973	3.6
107.08595	3.8
108.08109	2.3
109.02867	4.5
109.06513	1.7
113.07142	3.7
114.05519	10.0
119.08579	23.4
120.08063	2.3
121.09253	3.6
121.10135	72.9
123.11736	3.6
124.59578	1.5
127.03915	11.3
133.06108	8.7
142.04982	10.3
147.10487	3.6
147.11681	71.1
148.11148	4.7
159.07689	6.5
163.13544	2.3
164.96111	1.9
165.12743	2.9
174.12785	4.7
176.14333	2.1
181.14568	2.0
202.12277	1.7
220.13187	3.9
239.43623	1.6
262.14157	2.0
263.30533	1.7
275.40417	1.7
279.17050	28.5
297.18057	100.0
420.38187	1.7
603.27356	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	603.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	2.2
56.96561	30.0
83.08601	1.6
88.86087	1.2
95.33838	1.2
97.99171	2.5
137.88271	1.3
139.01805	2.2
146.99675	1.4
170.04907	1.8
213.16353	1.5
223.06425	4.0
234.07985	2.8
246.08047	3.5
249.08000	3.9
254.27197	1.4
272.09518	5.4
286.11240	1.9
303.12674	32.0
321.13657	34.0
326.14114	4.4
339.14807	5.7
344.15302	100.0
345.15570	4.0
362.16342	35.2
385.18073	1.8
567.30182	1.7
585.30585	2.4
603.31732	5.5
603.99109	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21262	4.5
70.06586	18.8
71.04970	6.8
72.08120	6.2
74.37783	5.0
84.08101	6.5
86.09682	10.4
89.56341	5.2
91.71108	7.3
115.57973	5.7
139.20271	6.2
162.81296	6.2
196.33167	6.8
248.12387	6.2
279.06281	17.8
291.57669	6.0
316.55078	6.7
331.09933	50.6
354.08630	6.7
587.17285	100.0
605.18292	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01113	3.6
55.01887	4.0
55.05512	17.8
61.24077	4.2
65.22888	5.5
65.69965	3.9
67.05494	100.0
69.03424	38.2
69.07077	7.6
70.47454	5.0
70.52299	4.0
71.04989	9.4
72.28138	4.6
79.05512	23.2
80.40149	4.4
81.03400	25.4
81.07038	39.1
81.07386	3.8
83.05000	10.5
83.08624	8.7
85.06540	5.2
90.43829	5.1
91.05470	36.5
93.07029	38.7
95.05004	9.9
95.08634	18.1
97.06577	5.3
105.07035	26.4
107.08607	8.5
109.02884	9.1
109.10142	51.4
111.04494	5.9
116.06358	4.9
116.74115	4.4
117.07032	10.5
119.08621	19.6
121.10162	12.4
129.07004	8.1
131.08629	8.2
133.10179	12.0
135.08092	6.8
135.11717	9.5
136.17891	5.8
137.09662	7.6
143.08635	9.6
144.57214	5.3
145.10162	11.3
147.08173	8.1
147.11685	6.6
159.11624	5.6
161.09657	6.2
173.11795	13.7
182.10197	5.5
193.40376	5.0
229.14445	17.5
230.09137	6.1
261.35083	5.5
268.88995	5.5
468.18759	6.3
605.36053	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	606.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54982	5.9
65.03938	10.5
68.75043	6.4
69.18443	5.4
75.37946	6.5
77.03422	5.9
77.03907	6.9
79.05518	11.9
84.18105	6.5
87.85343	6.2
91.05474	54.7
91.71154	16.1
93.07063	16.6
95.04997	21.1
103.05528	6.2
105.02718	6.7
105.03397	7.3
105.07047	15.6
107.04940	74.0
110.92910	6.3
115.05450	15.3
119.04977	13.6
120.05718	15.6
121.06487	80.2
121.57565	7.0
123.04479	32.7
131.04941	12.0
133.06531	22.6
135.04468	27.0
137.06013	17.6
141.06989	9.1
145.06609	9.0
147.08105	8.3
152.07149	17.8
153.07053	13.3
165.07016	18.6
167.08592	12.0
179.08607	9.4
181.06575	15.9
183.08098	11.0
191.08713	8.2
194.07326	10.6
195.08156	25.2
197.06084	29.2
198.06775	8.8
199.07545	91.0
207.08194	11.0
209.06067	8.4
210.06874	26.5
211.07469	57.7
212.04704	10.7
212.08228	7.4
213.05528	14.2
213.09123	88.7
223.07623	22.3
224.08589	8.7
225.05608	25.4
225.09050	52.1
226.06314	18.5
227.06992	45.3
227.10651	12.5
230.03731	8.1
239.06949	11.3
240.07803	36.4
241.08684	34.6
243.06516	8.4
243.10182	9.1
253.08635	13.3
254.09280	12.7
255.10243	18.3
256.07397	21.3
257.08084	13.8
276.40027	8.5
317.11588	10.7
347.12833	10.7
361.14471	11.0
435.15958	10.4
451.15704	14.2
453.17136	12.0
454.17691	17.6
467.18646	58.7
481.16415	17.3
483.18021	100.0
589.22217	74.1
593.37543	10.1
606.24921	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89357	4.9
55.01854	6.1
59.01733	5.1
65.03945	11.1
79.05508	7.6
91.05463	62.0
93.07063	9.5
95.04974	24.8
103.05474	14.0
105.07024	14.0
107.04945	80.6
108.20111	5.5
115.05438	7.8
119.05004	11.1
120.05713	10.6
121.06499	83.6
123.04417	16.9
128.06242	9.4
129.07100	8.1
131.04999	7.5
133.06520	18.4
135.04431	25.8
137.06001	20.6
141.07060	8.9
141.78485	5.8
145.06508	9.7
152.06197	7.3
153.05537	11.2
153.06985	7.2
165.06944	11.4
167.08568	15.3
181.06456	14.3
182.13162	6.5
183.08112	10.1
194.07430	7.7
195.08107	18.9
197.05959	19.7
199.07507	86.0
199.09291	8.9
207.07921	7.9
209.09750	8.8
210.06792	12.1
211.07510	47.1
212.08344	9.1
213.09087	99.0
223.07678	17.8
224.08315	9.2
225.05557	14.0
225.09033	33.9
226.09872	6.6
227.06946	37.7
227.10707	10.9
239.06955	12.0
240.07907	19.3
241.04802	10.1
241.08630	27.6
242.09367	12.3
243.10143	13.8
253.08606	13.9
255.10097	10.7
256.07303	13.0
269.08133	11.2
273.20889	7.4
281.09497	8.5
285.08920	7.7
306.28064	7.6
315.10010	8.8
347.12708	13.4
359.12497	6.9
361.14581	13.4
439.15271	17.0
453.17371	9.8
454.17450	30.9
455.18631	11.5
467.18256	38.0
481.16135	9.1
483.17996	69.7
556.19690	7.4
589.22137	100.0
606.24707	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	606.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10143	3.1
77.00592	10.7
89.06010	13.1
91.05771	10.2
91.70966	4.9
95.01635	53.1
102.03749	7.5
114.07359	24.7
115.95766	3.4
118.03206	100.0
119.01644	6.1
120.88774	3.2
121.03178	5.8
121.96558	3.4
133.08580	5.3
144.04761	11.2
145.06790	22.6
146.09285	3.9
147.04718	94.0
165.05779	10.7
188.07428	13.3
189.09431	4.6
191.07327	29.5
235.09886	5.7
239.09457	9.4
258.96277	3.4
335.22397	4.0
409.22375	6.6
423.87903	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	607.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29099	4.0
65.06821	3.8
70.06580	11.8
72.93796	6.3
81.03405	4.1
81.07042	5.9
84.08139	7.5
86.21148	4.1
91.71649	4.8
93.63884	4.0
95.04961	5.0
97.87837	4.1
107.04955	78.9
109.06509	97.3
109.07198	8.4
113.96380	6.9
121.02876	6.5
142.65808	4.9
145.84738	6.3
152.99994	5.3
154.99068	6.2
157.06479	8.4
166.35811	4.8
176.11160	5.0
178.97939	19.4
180.99466	6.5
182.97459	10.1
196.98967	7.7
199.00484	13.1
205.99011	6.0
215.10602	6.2
217.01659	12.8
220.00560	17.0
222.02119	21.1
223.99936	5.4
224.98386	10.8
228.99445	12.4
241.08545	6.3
248.00046	12.8
263.04947	7.6
266.01059	7.8
270.02176	10.3
271.00491	12.6
284.03494	6.3
287.03601	51.1
305.04767	8.1
312.03107	18.4
313.01553	19.0
328.06256	43.8
331.02512	27.3
333.04208	9.0
354.04263	34.2
372.05264	33.8
377.03116	36.2
395.04074	61.1
412.06827	6.8
413.05188	9.8
418.05908	8.5
436.06848	100.0
437.07043	11.7
465.06430	6.5
483.07169	14.4
501.08002	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	607.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65270	4.2
51.94152	4.6
52.08213	4.9
56.94260	4.9
59.38820	5.1
71.86478	5.1
73.91336	4.6
86.63261	5.3
90.42433	4.7
140.35942	5.5
277.25085	5.9
277.28116	6.5
423.67847	7.8
431.13135	100.0
472.14578	6.7
596.08600	6.4
607.15924	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2001
Annotation	6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.94482	7.6
57.20493	7.9
60.25066	8.1
64.80379	6.9
70.66989	7.7
80.24308	8.6
81.04361	7.8
138.31354	8.9
176.47351	8.4
313.32391	9.7
348.47342	10.0
445.14722	13.8
607.19952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.47975	1.4
54.20368	1.5
64.00891	1.4
81.65984	1.6
101.37626	1.7
103.70943	1.6
106.55370	1.6
112.43567	1.9
115.18719	1.6
126.86002	2.3
170.13501	2.1
290.97015	2.2
389.17548	2.6
403.19385	2.8
405.20508	2.3
417.16727	4.2
419.22443	7.5
431.18567	5.4
432.19241	2.6
433.20264	4.0
445.20120	5.2
446.21149	8.5
447.21655	9.5
474.20480	5.3
475.20914	3.9
484.11740	2.4
487.21140	2.3
519.24127	14.4
547.23236	11.1
579.26288	7.4
607.25446	100.0
608.25793	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.77255	4.7
57.12037	4.8
60.37060	4.8
65.47182	5.0
70.66641	4.9
76.10045	5.6
76.28976	5.0
107.61324	5.1
215.60060	6.4
267.44217	6.7
403.18927	7.5
433.23901	11.3
445.20633	8.8
446.21078	14.3
460.22552	9.9
461.23413	14.0
547.26855	37.6
607.29272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.22278	1.9
78.12377	2.1
102.27460	2.4
149.79660	2.1
171.16615	2.4
175.75256	2.4
215.21216	2.6
224.20302	2.2
431.18762	7.0
432.19186	3.5
433.23990	8.1
445.19699	11.0
446.21078	3.4
447.21725	4.3
459.21725	5.3
460.22552	11.4
461.23215	12.1
492.25226	2.7
505.22095	2.9
519.23865	5.1
547.26935	23.1
607.29138	100.0
608.29962	4.1
614.48120	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	607.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92100	5.6
57.07072	12.3
60.14324	6.8
67.05508	8.0
69.07047	6.3
69.89246	5.7
70.26306	5.5
71.08630	6.6
79.31000	6.2
81.07047	41.7
91.20570	6.7
93.07043	7.3
95.08595	12.7
109.06542	11.5
109.10143	6.0
111.04424	15.3
129.33260	7.2
137.05977	100.0
150.49988	6.1
277.17972	38.3
295.19238	8.6
313.27222	24.0
317.93564	7.0
362.23462	8.4
380.19016	7.3
589.44397	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	609.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99664	2.2
58.02396	2.1
58.06588	2.4
68.45119	2.4
70.06586	4.7
73.36122	2.0
84.62986	2.6
86.09710	4.0
153.01740	3.0
204.11661	2.9
239.75374	3.2
271.05969	100.0
271.08835	6.1
276.52100	3.0
433.11285	10.0
447.09119	4.2
475.17749	3.2
481.93948	3.1
636.93671	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	609.145
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36386	2.2
61.18692	2.0
64.78647	2.2
65.65477	2.1
70.06582	4.0
72.14015	2.3
72.59734	2.2
127.78864	2.6
214.74133	3.1
243.51372	3.0
261.20929	3.0
271.05960	100.0
362.77731	2.7
433.11246	8.6
447.08975	6.2
609.14392	3.4
609.36719	3.0
626.00391	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	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88300	0.2
52.76650	0.2
56.18282	0.2
59.92766	0.2
67.01865	0.9
69.03409	0.4
73.12911	0.2
81.03441	0.2
84.08083	0.2
85.02889	1.0
91.05483	0.4
97.02890	0.3
106.47000	0.2
108.76494	0.2
119.04930	2.3
121.02846	0.6
127.74615	0.2
129.01865	0.2
145.02841	0.8
149.40570	0.2
153.01813	3.9
163.03853	0.4
171.02882	1.1
171.15405	0.2
210.88210	0.2
243.06323	0.3
252.28397	0.2
271.05984	100.0
272.06332	2.0
447.09244	2.8
605.49451	0.3
609.14496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
66.93777	5.9
91.71600	7.9
123.79034	9.3
124.99388	7.8
275.20047	8.4
289.98935	9.7
477.22290	10.9
550.26129	10.2
587.50977	9.3
609.26978	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.04161	3.2
56.58996	3.4
58.70951	3.5
59.04102	3.5
67.55676	4.1
74.00145	3.5
74.45706	3.6
81.07063	3.7
93.24731	3.8
113.08450	3.7
118.75565	4.4
128.91409	4.9
147.16922	3.9
151.71344	4.2
188.25995	4.6
204.68810	4.8
210.30901	4.9
283.32639	4.7
363.71701	5.6
364.40558	5.0
407.22403	6.7
461.19730	6.6
475.21027	9.8
476.21588	7.8
477.22406	6.7
485.23303	5.6
489.23239	5.9
531.24005	14.4
559.23364	10.1
591.25830	33.2
609.27057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01278	1.3
55.05495	2.9
56.23632	1.2
56.46141	1.2
62.74139	1.5
67.05490	1.6
68.36990	1.5
69.03420	2.2
70.06588	22.0
72.08146	5.1
80.32879	1.4
84.08144	2.9
85.02912	4.8
93.83520	1.6
95.53879	1.8
96.08070	2.2
99.04449	3.5
99.09243	5.5
105.07043	3.2
118.75423	1.6
120.08118	2.1
121.10178	3.3
127.03936	3.9
128.24886	1.6
131.08543	3.0
133.10118	1.8
134.09657	3.3
145.10144	4.7
148.11244	2.7
159.11761	2.3
160.11240	4.1
178.95390	1.9
182.11005	2.4
186.12839	3.4
214.15987	5.7
216.17480	9.7
234.18578	3.5
251.92815	2.0
269.20074	8.7
285.23260	12.1
303.24277	16.5
408.24884	1.9
507.30576	4.4
547.34009	3.6
549.31610	11.4
609.33850	100.0
610.34381	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	609.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70460	4.4
52.19823	4.8
52.30016	5.1
67.05492	6.3
79.50221	5.4
81.07037	7.3
91.71707	14.2
93.87486	5.2
95.46881	6.3
98.42081	6.2
121.65172	5.7
122.07291	21.8
137.06006	8.7
152.07112	7.7
185.09700	12.1
190.72066	6.4
213.09129	20.1
226.36037	7.0
232.32349	6.8
247.04965	6.6
259.09610	15.4
271.09570	12.4
273.11206	100.0
316.19077	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	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	37.4
67.05507	95.8
69.07076	26.1
79.05508	62.4
81.07059	92.6
83.08609	23.5
91.05460	93.5
93.07061	74.9
95.08595	100.0
98.89429	19.9
105.07043	54.8
107.08623	65.3
119.08634	57.4
121.10154	45.0
131.08545	44.8
133.10172	36.7
135.11723	31.3
145.10153	38.9
155.08755	20.7
171.11646	21.7
173.13206	32.8
175.14828	19.9
185.13248	34.7
187.14900	35.3
201.16319	26.4
267.21036	25.1
281.15863	19.3
285.22122	49.2
307.22684	43.5
609.45178	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3712
Annotation	PGPC
Peak:m/z	Relative Intensity
56.59280	1.6
60.08146	9.6
71.07343	3.7
77.22551	1.8
79.59340	1.9
79.77557	1.6
86.09696	42.8
92.30884	1.8
98.98470	2.5
104.10696	3.9
115.50805	1.8
124.99999	25.1
137.90034	2.1
143.32372	1.8
152.48633	2.1
184.07332	100.0
313.50797	2.3
469.55960	2.1
610.38043	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	610.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	12.1
59.93698	7.1
67.47498	8.0
69.07068	33.4
91.71593	9.9
91.83634	8.2
95.19228	8.8
97.10160	13.5
223.45073	10.5
246.66568	9.9
281.24738	100.0
452.21753	11.4
546.56958	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	611.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90166	15.5
58.08094	16.5
59.12836	17.4
81.06174	16.7
88.21145	15.9
119.18142	18.2
119.36995	25.0
196.09901	35.5
211.12260	25.8
237.10065	20.2
281.13000	31.9
283.10724	93.7
287.13898	49.5
309.35855	19.5
325.11783	100.0
370.33594	22.5
378.16766	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78665	8.4
54.24785	9.0
54.75603	9.4
62.04556	9.9
78.71760	11.9
98.16842	10.3
151.45314	12.3
198.74339	13.4
417.71176	12.4
466.87900	12.5
486.16293	14.1
611.38770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18677	22.3
67.05500	54.9
72.33169	26.1
74.23827	24.3
76.02219	26.4
81.07040	80.9
83.08605	27.4
84.04421	28.6
93.03735	23.2
93.07027	78.5
95.08593	76.3
102.57857	26.6
107.08584	53.6
109.10147	100.0
116.01642	41.4
119.08532	40.3
121.10150	27.6
123.11688	25.4
133.10086	34.7
163.14806	40.7
179.04901	28.0
181.11946	27.2
263.39520	25.2
363.21017	30.1
615.60114	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	613.1596
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
51.68040	2.3
55.01865	3.0
66.34024	2.1
69.40350	2.5
74.00657	7.4
76.02227	17.9
76.04001	8.5
84.04507	21.8
85.04024	22.1
90.45910	2.9
91.05463	2.9
91.71002	3.1
92.01709	9.3
96.78709	2.5
99.05547	4.1
100.02203	4.3
107.99391	6.9
109.07647	7.0
112.03965	7.1
113.03511	9.2
113.81925	2.7
116.01628	4.3
123.21580	2.9
129.06618	4.0
130.05003	42.7
131.02751	3.7
131.04501	35.0
131.99387	9.8
135.05565	4.0
137.05991	14.2
139.03287	9.4
144.01205	4.1
145.06088	5.4
153.06612	8.4
154.08675	6.0
155.08167	10.1
159.02263	7.1
162.02243	8.8
177.03293	51.2
179.04874	12.1
181.06113	8.2
185.03799	49.9
185.05289	4.4
189.01497	2.9
199.07213	7.9
202.04160	3.5
202.79745	3.6
209.00537	8.1
211.02098	9.2
213.24429	3.5
231.04333	100.0
235.02057	23.5
254.85416	3.1
257.07727	3.9
258.11526	3.6
265.03235	4.6
288.06555	7.7
355.07349	72.0
409.08487	11.9
484.11346	14.9
595.14496	5.1
613.15649	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50779	26.2
62.48273	24.2
64.17115	26.7
70.06579	99.8
85.02882	49.0
101.14305	28.4
107.04933	47.0
128.08302	42.6
137.26588	31.6
185.12276	30.4
195.02904	31.2
219.02869	100.0
235.67191	38.8
261.04022	60.2
266.15875	33.0
302.39789	36.3
506.48495	33.3
609.89380	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50779	26.2
62.48273	24.2
64.17115	26.7
70.06579	99.8
85.02882	49.0
101.14305	28.4
107.04933	47.0
128.08302	42.6
137.26588	31.6
185.12276	30.4
195.02904	31.2
219.02869	100.0
235.67191	38.8
261.04022	60.2
266.15875	33.0
302.39789	36.3
506.48495	33.3
609.89380	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51405	1.6
65.95001	2.0
70.06583	100.0
72.08147	29.7
84.04500	2.0
86.16591	2.0
86.18724	2.2
87.84771	1.9
106.03340	2.6
125.07094	2.2
127.08676	3.4
128.64003	1.9
133.08264	2.1
155.08160	7.1
155.41589	2.3
164.06982	2.2
185.09274	5.6
196.06116	6.4
201.51547	2.4
202.10912	2.6
213.08679	2.9
302.13440	38.3
326.02792	2.9
397.94717	2.6
422.88589	2.5
613.28333	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	613.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51331	5.0
56.96559	70.2
58.59138	5.5
71.23910	6.2
71.75635	5.8
76.75337	5.3
81.07034	10.2
91.05456	8.5
95.08607	9.0
98.97583	80.1
101.30770	6.9
112.99156	16.6
115.38602	6.5
115.49722	5.9
116.98611	33.6
117.10645	7.7
131.00166	31.7
134.99664	10.5
140.00185	75.0
146.23882	6.4
149.01227	22.8
154.01765	26.6
158.01257	27.6
158.99614	34.7
166.01859	10.7
170.01349	7.4
172.02783	38.5
177.00688	16.2
181.02881	21.3
182.01216	7.7
185.01277	9.2
190.03920	7.6
195.04355	37.1
199.02797	11.6
200.02304	76.0
207.04462	13.1
214.03883	13.9
219.01697	13.0
223.03961	11.0
226.03952	12.5
240.05353	12.1
242.03473	8.7
260.04462	10.6
275.04330	8.8
293.05508	32.1
316.07065	66.9
317.17831	81.3
334.08112	27.0
335.18921	25.1
358.20499	100.0
373.56387	7.7
377.19925	10.6
395.44476	7.9
446.36572	7.5
497.24194	9.5
553.26831	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61206	2.5
53.03936	6.9
55.40997	3.1
57.03423	3.3
60.04523	2.7
61.02924	3.2
64.50692	2.8
69.03421	19.3
70.06577	10.0
71.04983	6.4
79.05499	3.3
81.03396	21.4
85.02895	78.3
86.09703	5.1
95.03907	3.0
97.02880	40.5
99.04439	49.2
103.03934	89.7
107.04964	7.1
108.39866	2.6
109.02882	21.5
119.04965	3.2
121.06484	4.8
123.37274	3.1
126.05527	3.3
127.03902	100.0
135.04395	5.5
137.02303	14.8
137.05933	14.7
145.04945	58.7
153.06961	5.0
163.05992	36.9
167.07159	4.4
169.20673	3.3
175.06122	3.3
213.09215	3.9
269.04434	5.5
271.08145	4.4
273.11163	15.7
283.09702	4.3
287.05453	57.5
307.10245	5.6
319.11536	3.8
381.13571	6.6
421.08966	16.5
438.11984	12.1
445.35434	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	614.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18771	18.4
70.02953	32.3
80.52515	17.1
86.09715	100.0
87.05563	23.1
91.71009	17.7
100.02219	27.5
107.04984	17.8
121.06499	58.8
140.10706	22.9
144.08150	20.3
146.02769	51.5
157.81091	20.1
168.10236	23.2
178.08737	23.4
179.70174	18.4
200.70193	17.6
201.03259	34.2
216.13167	20.3
254.08278	22.4
260.07086	36.7
389.16260	22.7
569.24091	45.7
584.47125	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	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18002	1.5
52.82301	1.4
57.07068	10.8
58.06585	4.1
70.06232	3.4
70.06586	38.2
71.08617	6.6
72.08141	1.9
77.26067	1.6
79.78454	1.6
86.88359	1.6
88.07623	39.6
94.64725	1.7
96.14785	1.6
96.84681	1.8
97.82584	1.7
101.08964	1.8
102.09179	31.0
119.79817	1.7
125.38251	1.8
134.11943	1.7
149.02333	67.8
151.12360	2.0
159.88545	2.0
169.19106	2.2
192.89104	2.4
193.04964	69.7
256.26340	67.4
256.29089	3.1
265.57727	2.1
297.04065	2.3
313.07153	2.4
341.06458	12.9
350.03345	2.7
359.07617	4.2
385.09186	59.3
386.09665	2.4
396.98621	2.3
402.79340	2.9
497.20425	2.4
516.22479	2.3
544.11957	2.2
614.33203	100.0
615.33331	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	614.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	10.8
57.07063	10.7
58.06589	56.7
59.07364	16.2
60.08166	10.9
67.05473	14.4
71.08620	9.4
73.02937	6.1
81.07040	7.7
87.04444	8.1
89.06015	49.9
91.30659	6.1
104.43852	5.8
109.10146	7.7
127.47603	6.4
130.08586	13.7
131.07227	6.7
133.08589	46.4
134.99698	6.7
144.10202	20.2
173.48816	7.3
177.11237	10.1
183.75165	6.4
206.91136	6.8
236.14903	98.4
388.70624	6.9
415.25189	13.3
442.35440	9.7
460.36417	19.9
614.46063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59899	2.3
56.83430	2.4
57.03424	5.5
57.07061	8.8
58.06314	3.6
58.06591	65.0
59.07378	15.2
60.08157	13.6
63.97110	2.0
67.05487	7.9
68.60136	2.6
70.47040	2.5
71.08620	5.6
75.04459	2.8
79.82150	2.4
81.07066	2.5
82.61455	2.5
84.08183	2.4
85.02890	4.2
87.04449	5.6
89.05998	12.9
95.08604	18.5
102.25568	2.5
102.64913	2.8
105.62889	2.3
128.45654	2.7
130.08705	3.3
131.07018	3.0
133.08607	10.7
144.10170	22.0
162.11232	5.7
169.63414	3.0
177.11240	3.7
213.69304	2.7
215.86380	2.5
236.14915	100.0
236.17210	5.5
358.22244	4.5
376.23254	12.1
419.93912	3.3
456.36859	8.6
474.37961	15.4
614.46252	88.0
615.46478	9.3
616.98517	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	615.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03409	1.4
60.85265	1.3
66.32247	1.2
70.06568	3.7
74.96490	1.3
81.03416	3.4
85.02895	4.8
88.04581	1.3
93.27409	1.6
97.02884	1.7
99.04443	2.9
100.67789	1.5
103.03925	4.3
104.73656	1.5
105.03426	1.9
109.02899	1.9
121.02859	1.8
123.04423	100.0
127.03931	3.3
145.04871	2.6
147.04434	4.9
149.06030	1.8
151.03899	3.3
163.03928	4.5
165.05478	16.1
173.06029	2.0
175.03888	3.7
181.05005	2.8
187.03967	1.8
189.05389	3.9
201.05487	1.5
205.04951	6.6
213.05490	2.1
217.04977	5.8
229.05006	2.4
235.06071	1.9
247.06044	5.0
259.06006	4.6
271.06052	2.1
273.50714	1.9
277.07123	1.9
287.05630	3.1
301.07175	2.1
313.07126	2.4
325.07343	1.8
342.44403	1.6
357.09628	3.0
369.09787	3.4
381.09839	2.9
390.86115	1.8
393.09583	1.6
399.10550	4.1
411.10739	4.0
423.10809	5.6
435.10825	3.4
441.11893	2.5
447.12808	6.9
452.56012	2.0
459.12424	2.4
465.11713	2.1
477.12726	2.4
483.12439	2.4
495.13141	4.0
501.13510	2.1
513.14246	3.0
535.11438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	5.9
56.84932	5.0
58.99564	9.0
65.55788	5.5
66.90611	5.5
67.05493	26.8
67.21409	5.7
69.07055	10.3
76.02213	20.4
79.05503	7.6
81.07060	38.6
84.04501	55.1
86.09711	7.5
91.05462	11.8
93.07022	27.4
95.08598	15.5
105.00060	8.2
105.07026	11.2
107.08570	14.7
109.10140	9.4
117.06984	7.5
119.08578	11.9
121.10124	10.5
122.02731	59.7
123.08086	12.9
123.11703	8.0
127.03869	17.2
130.05011	25.3
131.08595	13.2
145.10097	10.2
188.03763	6.7
191.76830	7.3
234.04333	9.7
251.06956	57.4
265.08905	8.3
347.22171	100.0
365.23175	9.6
615.29462	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	615.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01860	13.1
55.05506	28.0
57.03421	13.1
57.07048	3.0
65.03946	4.2
67.05173	5.5
67.05495	66.8
69.03421	3.6
69.07045	12.6
71.04981	3.7
71.36865	2.6
72.33829	3.3
76.61101	3.5
79.05485	57.2
81.03385	9.0
81.07047	100.0
83.04971	15.9
83.08610	13.6
87.95111	2.9
91.05476	36.4
93.06483	6.0
93.07034	68.9
95.04963	25.5
95.08591	29.2
95.97099	3.2
97.06525	8.5
97.10170	15.2
99.08089	4.7
102.66753	3.1
105.04498	4.1
105.07026	27.7
107.08591	22.0
107.96975	2.9
109.06510	8.6
109.10146	18.2
111.04407	16.3
111.08047	4.8
114.17244	3.2
117.07007	13.1
119.08588	18.9
121.06544	3.8
121.10117	31.3
123.08038	33.2
125.09640	15.3
129.05417	3.8
129.06993	4.9
131.08571	12.3
133.10139	15.9
135.08031	4.4
135.11688	13.8
137.09622	5.8
143.08598	5.6
145.10077	21.5
147.08000	4.0
148.08994	3.6
149.09637	6.3
153.12685	4.8
155.08556	3.6
157.10167	4.9
159.11717	4.6
161.09648	4.7
163.11182	13.8
165.09143	3.7
175.11256	4.5
181.12236	6.4
189.11229	7.8
191.10667	8.8
215.17938	5.0
223.13339	3.5
227.12804	10.2
233.19081	5.6
234.38545	4.1
273.18472	11.2
291.19525	39.7
307.22607	31.1
365.23148	9.5
597.02582	4.1
597.41376	11.9
615.42554	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	615.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01868	5.9
55.05300	2.0
55.05499	14.1
56.99358	1.6
57.03436	6.6
57.07081	10.6
58.38494	1.8
66.88585	1.9
67.05500	39.3
69.03437	2.6
69.07078	9.5
69.20763	2.4
71.08646	6.6
78.22678	2.3
79.05485	39.4
81.07046	100.0
83.05001	6.9
83.08636	9.2
85.02893	4.1
85.10197	4.1
86.18541	2.9
89.06026	14.1
91.05466	27.9
93.07033	37.4
93.07553	2.5
95.04971	13.6
95.08602	23.0
95.09042	2.4
97.06552	2.7
97.10174	4.9
103.03951	3.4
105.07019	21.5
107.04953	3.5
107.08587	16.7
109.06515	28.6
109.10204	7.8
111.04482	7.4
111.08100	3.7
117.07053	10.5
119.08593	21.9
121.06532	7.4
121.10116	15.5
123.08084	5.8
123.11723	2.3
125.09637	4.0
129.07036	4.0
130.08644	5.3
131.08617	9.0
133.08641	7.0
133.10184	8.4
135.08092	8.3
135.11708	4.8
137.09680	3.1
145.10123	14.2
147.08020	12.3
147.11740	4.3
149.09659	3.0
157.10237	4.3
159.11728	4.5
161.09625	4.9
163.11240	6.6
165.09155	3.4
177.11377	3.9
183.11813	2.7
223.13272	3.9
237.62912	3.1
249.14958	3.5
255.17738	3.0
273.18359	15.2
291.19522	44.4
297.02625	2.6
307.22601	27.4
347.22104	3.5
365.23465	5.8
565.92938	2.8
597.41235	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	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29958	9.0
52.17398	8.2
55.05507	15.0
56.34619	10.4
59.05011	19.6
63.18270	9.2
67.05491	22.3
69.07074	11.3
81.07084	41.1
83.08651	16.3
85.06567	19.9
89.06053	38.9
91.05504	52.5
93.07025	78.4
95.04997	21.0
95.08598	55.8
105.07017	72.5
107.08611	51.3
109.10179	33.8
111.08102	11.0
117.06950	12.7
119.08566	100.0
121.06465	15.4
121.10153	24.7
123.08112	46.3
125.09631	14.3
129.07147	12.0
131.08582	32.5
133.08646	18.9
133.10179	40.3
135.08067	14.8
135.11725	17.2
143.08609	15.2
145.10216	39.5
147.08084	12.6
151.07590	35.5
151.11259	12.3
155.08521	13.1
157.10222	17.8
159.11758	27.0
165.09224	23.8
169.10220	17.6
173.13336	16.7
189.12889	13.7
192.12643	10.9
197.13417	13.1
212.34491	12.5
221.15363	57.1
223.17088	20.5
274.95892	13.5
491.35355	18.7
615.44672	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	615.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	29.1
55.19768	19.4
59.04987	35.2
62.09822	17.7
65.09422	17.8
66.88326	18.0
67.05492	31.4
67.50291	18.3
68.24663	27.4
69.07078	28.0
73.36128	18.9
80.36901	22.0
81.07056	54.5
82.53232	22.4
85.06524	23.3
89.06011	71.4
91.05476	66.4
93.07050	75.3
95.04971	25.2
95.08611	77.6
102.47796	20.7
105.07035	93.2
107.08590	75.5
108.94211	24.2
119.08603	76.8
121.10146	44.1
123.08057	36.3
131.08591	30.8
133.08598	68.3
133.10144	74.8
135.11694	36.2
143.08566	44.0
145.10144	45.6
147.08040	36.1
147.11641	41.6
151.07597	52.1
152.89711	23.9
157.10107	46.9
159.11732	37.4
165.09157	54.5
171.11723	37.1
173.13268	29.8
181.12311	29.0
183.11800	27.4
221.15405	100.0
615.43964	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	616.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
55.05513	14.2
56.96561	6.0
58.99620	6.7
59.97731	5.4
64.58655	5.4
65.40815	4.8
67.05516	19.1
69.07068	11.7
69.67783	5.0
76.02213	76.7
79.05492	18.0
81.03428	6.6
81.07043	58.8
81.58913	7.0
83.04973	10.7
83.08635	6.8
84.04520	23.8
91.05492	14.6
93.07076	9.8
93.09718	5.7
95.04951	30.0
95.08617	12.4
98.97566	6.3
105.07031	9.9
107.04997	7.4
107.08621	11.3
109.06534	8.1
116.01681	16.6
117.07055	10.3
119.08598	25.7
121.06503	9.5
121.10224	6.6
124.17749	6.4
125.09669	7.3
129.06987	7.9
130.05058	7.6
131.08627	12.3
145.10078	9.0
147.08051	14.7
149.09654	8.9
157.10054	7.5
162.02179	36.5
163.11156	9.0
179.04836	64.7
215.63882	6.6
233.05858	9.1
258.02124	7.2
273.18500	17.3
291.19504	100.0
308.08984	51.8
593.04480	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	616.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	4.0
58.39798	1.5
58.97295	1.3
59.99032	1.3
60.08146	4.5
60.74777	1.7
61.14830	1.1
67.05496	1.7
68.40394	1.3
68.80665	1.2
70.06600	2.1
71.07355	6.3
76.06407	1.4
86.09697	22.8
88.07623	1.9
91.65791	1.6
91.71703	1.8
104.10738	100.0
113.85384	1.8
125.00082	2.5
157.56015	1.8
172.95267	2.1
181.53624	1.6
184.07234	2.2
195.96849	3.4
198.96819	4.9
216.97746	2.8
218.98505	2.1
221.98277	2.7
239.99370	2.3
241.51660	1.8
244.99991	5.7
312.63510	1.7
317.17972	9.1
358.20447	12.6
387.09903	2.8
494.20554	2.1
500.24380	4.3
556.27063	9.6
616.29602	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	616.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.4
55.41446	1.5
57.03415	4.9
57.03689	1.7
57.07065	9.6
57.50541	1.2
58.06594	52.2
58.53849	1.5
59.07372	12.2
60.08161	10.5
67.05506	4.2
69.07043	3.8
71.08627	4.9
75.04478	3.2
79.05478	4.7
81.07046	5.0
83.04990	1.7
83.08623	3.6
85.02892	2.9
85.10159	1.9
87.04481	2.9
89.06017	3.2
90.10197	1.8
93.07067	3.2
95.08614	6.2
107.08593	3.3
109.06508	2.1
109.10168	3.0
110.34652	1.7
121.10171	2.4
130.08672	2.1
136.74614	1.6
144.10185	18.8
145.10103	1.9
162.11285	5.5
163.11130	1.9
189.12567	1.9
216.88123	1.8
236.14909	100.0
289.01123	2.0
360.23907	4.2
378.24875	8.3
414.84341	2.2
456.36832	9.3
474.37985	16.5
616.47864	90.5
617.48596	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	617.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24899	6.3
55.05514	22.3
57.03404	6.9
57.07058	18.5
58.05664	6.9
58.06580	38.7
67.05488	33.4
69.03422	22.3
69.07056	29.7
79.05479	31.6
80.28105	7.7
81.07053	52.3
83.04967	35.6
83.08611	22.0
87.97759	8.7
91.05475	68.4
91.67953	8.3
93.07043	95.7
95.04958	45.9
95.08598	55.2
97.06531	17.8
105.07037	100.0
107.08603	90.7
109.06502	31.8
109.10159	32.3
111.48989	10.1
117.07030	22.6
119.08566	67.2
119.90973	10.1
121.10121	99.8
123.08032	12.7
123.11689	19.7
125.06033	13.0
125.09623	15.3
128.06207	12.6
129.07008	18.3
130.07785	12.6
131.08553	53.5
133.06467	13.0
133.10132	36.8
135.08035	13.2
135.11696	15.7
141.06979	19.7
142.07773	22.1
143.08557	36.3
144.09283	13.5
145.10123	70.5
147.08022	14.2
147.11716	19.7
149.09619	25.0
155.08601	22.4
156.09238	12.1
157.10136	40.3
159.08009	16.0
159.11662	26.1
163.11160	22.7
165.56328	9.3
167.10672	69.1
169.10106	31.5
170.10806	14.0
171.11728	30.2
173.13228	15.9
175.11113	18.1
181.10130	17.0
181.12206	24.6
182.10916	15.2
183.11697	21.7
193.10095	15.8
195.11717	14.0
197.13283	25.1
199.14842	11.7
209.13377	10.3
211.14758	19.8
221.13275	11.3
221.15334	16.7
223.14955	19.4
233.15450	30.7
236.15018	35.0
267.14108	11.8
351.20422	10.2
472.93466	10.0
617.48401	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	49.9
55.65523	25.2
67.05507	51.2
69.07076	39.3
79.05547	32.5
81.07060	79.1
83.08649	65.8
88.32085	29.8
91.05490	68.6
93.07056	100.0
95.04959	31.4
95.08622	42.8
105.07058	56.8
106.45345	28.6
107.08601	33.1
114.57078	31.8
119.08573	44.1
121.10177	46.5
123.08095	41.4
133.10126	48.7
145.10150	35.7
205.63152	43.0
221.15436	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	617.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36426	2.4
55.69995	2.6
56.24432	2.2
81.28300	2.7
81.48645	2.7
83.14536	3.0
198.77670	3.4
282.41907	3.2
305.11441	4.0
462.13107	3.7
603.12122	4.3
617.43878	100.0
618.44196	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	617.441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30210	5.0
55.01881	8.9
55.05506	49.2
55.05717	4.9
57.03448	12.2
57.07069	6.3
65.03957	5.2
67.04963	5.2
67.05499	96.4
67.05822	6.1
69.07063	27.2
71.04992	4.9
79.05477	57.8
81.03438	6.8
81.07048	73.3
83.04998	20.8
83.08216	5.7
83.08611	31.7
85.02917	6.9
85.06525	6.5
91.05471	57.9
93.07043	100.0
93.07570	8.5
95.04971	88.4
95.08599	59.3
95.09055	5.2
97.06542	7.7
97.10207	7.8
99.04472	9.6
105.07020	48.9
107.05006	9.7
107.08604	56.8
109.06570	12.5
109.10145	33.8
111.04460	11.2
111.08083	5.5
117.07063	16.7
119.08556	38.1
121.10143	47.8
123.08105	9.7
125.09660	15.1
126.35713	6.1
131.08607	25.8
133.10117	30.3
134.10442	6.0
135.11685	32.3
143.08623	10.9
145.10147	33.5
147.11739	17.2
149.09630	32.0
149.13239	8.9
157.10217	7.4
159.11739	13.7
161.13371	8.3
163.11249	25.0
169.10092	7.6
171.11646	6.8
173.13295	9.1
203.14320	6.5
215.18063	10.5
221.15570	7.7
223.13293	38.4
233.19092	14.3
257.19119	8.6
272.83871	6.4
275.20084	46.1
293.21313	23.9
307.22610	87.7
311.96622	6.7
355.92050	7.3
367.24860	26.7
587.32617	7.5
599.42932	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	617.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12160	10.3
55.05514	24.3
57.03401	9.5
57.60331	8.4
67.05496	62.4
69.07046	25.7
70.25240	9.0
70.98241	9.0
79.05484	47.5
81.07053	100.0
83.08573	16.7
91.05478	38.0
93.07028	64.9
95.04948	21.7
95.08591	43.1
103.24821	10.1
105.07018	44.4
107.08592	28.4
109.06509	14.9
109.10177	21.7
113.66541	9.4
113.67580	10.6
119.08561	32.0
121.10121	41.2
123.08039	14.0
133.10117	22.9
135.11707	16.1
145.10141	17.7
217.92212	11.0
219.61525	11.6
221.15239	21.4
221.32620	11.2
233.19044	16.8
275.20126	27.3
307.22467	56.6
349.23682	14.4
354.78925	11.4
367.24634	14.0
391.38022	11.6
644.13184	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	69.7
67.05499	42.7
70.28876	30.8
79.05470	34.9
81.07049	77.3
83.08591	69.0
85.06507	33.5
87.93943	31.2
91.05485	60.2
93.07045	79.6
95.08630	42.8
105.07030	100.0
106.12491	30.8
107.08541	41.0
119.08555	52.2
121.10140	70.9
123.43363	36.2
131.08549	47.7
133.10114	33.7
136.83751	39.3
142.35915	35.8
145.10089	83.6
157.10117	45.4
159.11723	38.0
191.63280	37.9
221.15399	37.5
317.00571	39.6
591.45966	41.0
606.01782	46.2
644.90063	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	53.7
59.00161	25.0
62.78698	22.6
68.32054	30.0
78.77297	30.1
81.07056	50.1
83.08626	71.0
87.04512	24.7
89.30246	31.5
91.05462	76.4
93.07023	69.7
95.04933	40.8
95.08590	36.8
105.07008	78.7
106.77942	26.6
107.08598	64.7
119.08573	100.0
120.48024	24.9
121.06628	29.3
131.08548	54.0
133.10173	59.9
137.76469	26.6
139.53189	24.8
140.76054	28.1
143.08514	52.1
145.10143	58.4
157.10141	32.3
159.11679	35.4
163.70422	35.6
171.11703	32.3
181.12224	38.7
197.13187	39.8
229.89372	37.3
315.07120	32.3
418.22290	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11304	12.1
55.05502	36.9
57.07048	18.8
61.79736	12.7
67.05486	37.2
67.66217	14.5
79.05473	18.9
80.74557	13.4
81.07043	58.8
83.08610	62.0
87.04465	47.7
91.05467	48.6
93.07039	61.0
95.04952	41.1
95.08589	36.8
97.06552	42.3
105.07034	76.2
107.08588	76.3
109.06492	19.6
109.10117	24.1
117.07002	27.8
119.08624	81.0
121.06529	16.1
121.10155	37.6
123.08090	43.0
128.06209	20.4
129.07004	20.5
131.08562	61.6
133.10146	39.1
135.08047	25.2
143.08554	41.0
144.09357	15.3
145.10138	63.4
147.08080	31.0
148.16615	15.4
149.09634	15.2
152.54175	16.1
155.08536	16.6
157.10120	57.7
159.11732	34.7
160.08823	18.6
165.09068	38.3
169.10135	29.1
171.11725	31.0
173.09744	17.0
173.13139	19.2
181.12277	22.7
183.11761	20.2
197.13203	26.8
203.14296	16.3
211.52884	16.4
221.15410	68.7
225.14754	21.4
227.29706	15.8
229.96498	16.8
234.16080	27.0
253.59229	14.9
268.62964	16.7
287.20041	43.0
291.37421	16.6
312.35388	17.2
325.21686	22.2
352.24002	88.2
382.74072	15.1
496.31833	18.8
501.73651	18.3
511.45984	17.4
524.21838	19.7
538.36523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38685	9.2
53.00306	11.7
55.05501	61.9
57.07074	9.9
67.05489	36.4
69.07051	27.0
71.04967	19.2
79.05499	25.9
81.07059	65.4
83.04990	14.2
83.08616	82.0
87.04449	38.1
91.05463	55.3
93.07042	69.4
95.04954	21.2
95.08589	49.3
97.06528	33.8
104.86774	9.6
105.04539	9.3
105.07039	100.0
107.08591	63.6
109.00089	9.2
109.06506	12.3
109.10149	34.7
113.09706	14.0
117.07021	35.1
119.08586	90.5
121.10151	50.7
123.08063	48.3
125.09624	28.2
128.06221	14.6
129.07030	20.3
131.08549	42.0
133.10109	54.2
135.08040	14.4
135.11693	19.3
137.09613	12.8
138.06720	10.7
139.11203	14.5
142.07770	22.0
143.08580	42.6
144.09358	11.4
145.10143	84.6
147.11674	30.4
149.09691	18.9
149.19279	10.1
155.08624	17.9
155.10684	17.8
156.09364	14.3
157.10098	53.7
158.10909	13.0
159.11707	39.4
160.08853	19.1
161.09633	13.2
167.08612	16.8
169.10144	32.4
171.11685	38.5
173.13197	18.3
179.08658	12.3
181.10066	18.7
181.12213	20.0
183.11696	23.1
185.13214	15.1
193.10156	15.3
195.11714	20.1
197.13243	20.6
209.13205	21.9
211.14799	24.1
221.13344	14.9
221.15393	27.7
223.14870	16.4
225.14784	26.0
225.99017	11.3
233.15350	20.3
234.16054	12.1
235.14690	14.2
287.19934	14.6
331.94275	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	37.1
55.73080	5.4
56.69469	5.4
57.07088	8.7
57.94096	4.6
62.83381	4.7
66.39206	5.0
67.05511	27.6
69.03426	13.5
69.07066	28.3
71.04986	14.4
79.05506	27.1
81.07043	49.6
83.04996	19.4
83.08614	84.9
83.09073	9.2
85.06559	9.8
85.54116	5.4
91.05464	52.0
93.07037	79.8
95.04945	33.0
95.08627	26.2
97.06550	28.9
99.04456	9.7
105.07031	100.0
105.07686	7.5
107.08586	77.3
109.06545	20.3
109.10195	27.2
113.56271	6.6
115.05460	9.1
117.07059	25.0
119.08573	87.7
119.09333	6.8
120.59550	6.3
121.06553	12.1
121.10123	50.1
123.08107	25.0
125.09696	19.7
128.06262	20.8
129.07053	25.4
130.07861	12.0
131.08560	45.8
132.09352	7.5
133.10107	52.3
135.08104	18.5
135.11742	12.1
137.09621	7.5
139.11220	13.4
142.07846	30.0
143.08580	45.1
144.09378	18.1
145.06512	8.4
145.10126	69.3
147.08072	9.5
147.11757	18.1
149.09683	14.5
155.08644	16.9
155.10701	18.9
156.09416	22.8
157.10101	57.6
159.08098	12.2
159.11678	42.3
160.08904	9.9
161.09671	15.8
161.13322	7.7
163.11223	8.2
167.08624	13.6
167.10715	16.7
169.10080	35.5
170.10910	8.2
171.11684	34.1
173.09702	11.5
173.13271	16.2
175.11165	11.5
177.12917	6.5
179.08597	16.2
179.14436	8.8
181.10269	16.7
181.12236	25.1
182.11015	12.8
183.11749	20.4
185.13220	15.1
187.14758	8.4
193.10231	9.3
194.10912	10.0
195.11771	20.4
195.13716	6.8
196.12518	11.6
197.13303	28.9
199.11302	12.9
199.14926	16.0
207.11783	14.1
208.12445	8.6
209.13373	19.1
211.14886	9.7
213.12842	9.7
213.16597	8.9
215.14392	19.7
219.11800	8.1
221.13286	15.5
221.15237	12.5
223.14894	20.7
227.83475	7.6
233.15384	33.2
235.14847	11.5
237.16539	9.4
247.14786	8.0
247.17084	9.2
251.18117	10.0
255.17558	29.3
263.18033	8.4
270.19925	8.0
277.19513	7.7
277.37253	7.8
365.25208	9.2
383.26227	9.5
610.23254	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	618.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	36.9
57.07066	19.1
62.26075	8.4
63.36304	9.5
64.27507	9.0
66.39579	9.5
67.05495	30.6
69.03422	16.5
69.07057	13.4
73.81468	12.0
77.65216	8.3
79.05469	17.8
81.07055	52.2
83.04964	18.2
83.08614	64.7
85.06536	19.2
87.04475	20.1
89.06007	14.3
91.05486	57.4
91.71008	22.5
93.07040	65.2
95.04964	30.8
95.08598	39.0
97.06521	34.9
105.07047	100.0
107.08590	41.6
109.06512	23.2
109.10146	20.6
115.05463	11.9
117.06979	23.6
119.08574	98.8
121.10146	47.8
123.08072	28.2
128.20512	11.5
129.07019	21.7
131.08582	54.6
133.10115	53.9
135.08084	15.9
137.09540	28.1
142.07823	22.1
143.08557	28.1
144.09314	19.4
145.10115	55.6
147.08049	12.5
151.07527	20.8
155.08606	17.3
156.09332	22.8
157.10080	73.3
158.10840	12.4
159.11719	40.3
163.11148	21.9
165.09111	50.5
169.10228	12.4
171.11681	31.5
173.13266	16.2
181.12288	24.0
183.11630	18.6
185.13243	16.5
195.11768	23.8
197.13322	22.0
203.14317	23.8
209.13289	22.7
221.13287	18.5
221.15283	75.6
224.37183	11.4
225.14742	20.3
233.15430	14.6
247.16951	17.3
287.19937	56.7
299.20251	16.1
325.21750	16.6
352.24023	64.9
365.24777	14.8
415.06967	12.7
538.36658	75.3
551.41431	13.8
618.42004	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	59.0
57.07074	10.7
67.05489	33.9
69.07047	22.3
79.05474	31.3
81.07040	54.3
83.04952	26.1
83.08165	13.0
83.08601	72.8
85.06504	12.7
85.71369	11.0
87.65129	11.2
91.05489	38.1
93.07039	86.2
95.04969	39.5
95.08563	29.8
97.06541	29.4
105.07016	100.0
107.08583	85.5
109.06523	13.8
109.10146	41.4
115.05483	11.9
117.07028	17.9
119.08576	68.1
121.10136	56.0
123.08141	19.7
125.09625	21.2
129.07030	25.0
131.08568	43.3
133.10126	46.6
135.08105	20.3
139.11174	22.1
142.07788	30.2
143.08575	56.5
145.10118	69.1
147.08133	18.7
147.11700	23.9
149.09575	15.9
155.10680	20.8
157.10100	62.6
159.11673	25.7
167.10654	16.9
169.10133	39.0
170.10780	17.2
171.11693	37.6
173.13210	15.0
175.11172	14.9
179.08571	13.0
181.10188	26.2
183.11775	22.7
185.13242	14.7
195.11722	26.8
197.13251	34.4
209.13190	22.5
211.14928	15.9
215.14357	16.5
221.15334	25.5
222.14040	15.1
233.15404	36.1
237.16499	16.9
245.20575	13.7
255.17302	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91531	4.3
55.05510	33.1
57.07054	14.5
59.04983	4.2
65.63245	4.7
67.05481	15.5
69.03418	13.0
69.07059	10.9
79.05492	15.8
81.07047	39.8
83.04974	8.3
83.08604	41.8
85.06533	7.1
91.05466	35.6
93.07043	43.8
95.04957	30.9
95.08600	25.2
96.27725	4.9
97.06523	12.3
105.07021	59.6
107.08586	44.6
109.06522	18.0
109.10129	10.4
111.08062	5.3
117.07020	17.9
119.08560	64.1
121.06489	11.1
121.10143	24.8
123.08053	16.1
125.05928	6.8
125.09637	6.6
128.06229	6.6
129.07005	16.7
130.07806	10.0
131.08569	38.0
132.09331	6.9
133.09274	4.8
133.10120	31.5
135.08076	20.6
135.11697	11.2
137.09647	8.4
139.07564	5.4
139.11212	9.5
142.07820	9.8
143.08563	27.8
144.09335	10.8
145.06467	5.4
145.10120	55.1
147.08066	20.1
147.11665	6.6
149.09587	11.4
155.08565	8.5
155.10826	5.5
156.09348	8.9
157.10101	44.1
158.10934	11.0
159.08171	7.5
159.11732	24.2
160.08820	14.5
161.09615	13.0
161.13220	7.1
163.11214	14.5
165.09109	24.1
168.09312	10.0
169.10129	22.0
171.11667	22.9
172.12450	9.4
173.09497	7.2
173.13248	13.8
175.11240	11.8
181.10161	6.0
181.12296	10.6
182.11012	6.6
183.11765	11.1
185.13184	7.1
189.12761	10.2
191.14389	6.2
193.12282	7.9
195.11726	10.1
196.12367	4.9
197.13283	11.5
197.26509	5.2
203.14252	9.0
207.13745	8.8
208.14558	10.0
209.13376	9.1
221.15327	54.8
223.14799	7.2
225.14839	14.5
233.15295	8.5
234.16089	9.9
237.12668	5.2
247.16943	10.1
273.18515	8.1
286.19397	6.2
287.19940	48.8
299.20145	11.4
325.21811	13.4
337.21500	6.7
352.23947	71.8
365.24521	12.7
395.25757	9.0
525.35669	10.5
538.36554	100.0
539.37311	7.3
618.42975	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	618.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	23.9
57.03411	15.9
57.07064	16.5
60.04456	8.8
67.05495	69.1
69.07057	29.3
79.05479	53.2
81.07043	74.7
83.08598	21.0
87.04449	49.5
91.05456	63.8
93.07043	100.0
95.08605	52.5
99.04589	10.2
105.07009	63.2
107.08580	35.3
109.10144	23.7
115.92109	10.7
117.07044	15.9
119.08527	60.7
121.10126	36.6
121.60974	12.5
131.08597	16.4
133.10104	35.6
135.11691	16.9
135.52193	14.2
141.35629	13.2
145.10081	22.8
147.11703	20.4
159.11722	23.5
161.13268	18.9
173.43494	13.7
175.14925	16.1
178.05888	13.6
183.13670	13.0
197.48824	11.5
213.16367	14.9
217.05803	12.0
234.33894	12.6
257.96191	11.9
259.20731	16.9
307.22705	35.3
328.75262	15.4
333.24146	24.4
394.21375	16.4
438.88562	14.5
583.43542	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	619.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63787	3.5
70.06574	12.2
83.72652	3.5
86.09695	6.4
93.22104	4.3
123.87270	4.2
129.10255	4.7
129.88203	4.1
136.85413	3.8
138.79262	4.3
144.01846	4.5
180.58014	4.3
201.71704	3.8
264.00162	4.6
496.35535	4.6
510.21140	4.7
529.66626	4.7
603.96204	4.8
619.19916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52247	62.1
59.68461	79.6
59.77888	64.1
70.26852	73.1
95.67590	76.1
99.88062	87.0
106.09296	68.4
106.33733	90.8
144.62302	77.7
155.31497	86.3
317.73218	93.3
402.86365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.6
57.07054	3.1
60.97297	1.9
67.05499	14.5
69.07050	10.6
72.15472	2.1
81.07043	19.6
82.06561	5.2
82.07503	2.3
83.08609	18.2
84.08171	2.7
91.05462	4.3
93.07033	6.6
95.08607	15.8
97.10163	2.9
98.09712	2.3
100.07602	6.1
100.11250	67.7
105.07037	5.4
107.04995	2.1
107.08607	2.8
109.06516	4.2
109.10162	8.5
111.04420	10.1
111.44607	2.2
117.50391	2.7
119.08574	4.0
121.10131	3.8
128.07091	6.1
131.85434	2.4
133.10098	3.2
138.79091	2.3
139.08705	5.7
147.11702	3.3
149.13190	3.6
175.14894	2.5
179.14229	3.1
182.15416	19.7
185.39938	2.4
197.86986	2.3
209.16536	14.1
210.14882	11.3
226.19106	4.2
229.90747	2.7
231.21118	4.3
249.22040	6.1
260.35999	2.3
266.24796	27.3
283.27426	3.0
287.70639	2.5
375.30133	8.0
392.32678	6.7
492.42078	3.6
582.56152	3.0
601.46802	7.3
619.47919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90373	11.2
57.07066	100.0
63.54799	10.6
71.52963	11.4
86.09698	11.9
87.04480	15.0
89.06025	85.5
91.70947	12.3
103.05114	14.2
104.06264	13.5
104.10772	21.2
105.62749	14.2
121.06541	26.4
130.08667	20.3
133.08633	65.5
150.45967	12.6
152.52734	12.8
155.88582	14.4
165.09203	15.7
177.11287	16.1
185.97533	13.5
200.24927	13.1
202.28133	15.2
277.21634	21.8
291.08536	14.5
325.36029	13.6
395.79913	18.1
398.08575	18.1
435.33569	16.5
439.29526	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	621.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07856	3.7
54.96455	3.8
65.03929	12.4
65.36029	3.9
73.03516	4.9
75.59058	4.4
81.94453	4.0
85.70424	3.8
86.09679	6.1
90.73910	3.9
104.10734	56.8
105.11066	5.0
120.04232	4.4
121.02850	6.3
122.97681	4.5
139.03870	5.6
149.02342	100.0
149.03424	8.6
193.04916	44.7
237.07402	4.7
265.22940	4.4
279.10382	4.2
279.88272	5.3
309.25815	5.3
310.98557	4.6
391.84378	5.0
403.35391	6.1
577.13519	6.4
589.88568	5.5
621.16132	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2558
Annotation	22-Demethylmaytansinol 3-isobutyrate
Peak:m/z	Relative Intensity
50.88927	5.8
51.66008	5.4
56.17315	6.2
64.86433	6.7
70.06580	13.0
74.35771	6.5
79.90716	5.8
135.57103	7.4
164.15791	6.3
234.97624	8.1
251.08148	14.6
253.09814	20.6
265.09717	16.7
267.11337	12.3
286.06006	8.1
293.09134	10.7
310.75476	8.1
329.11557	18.4
342.12299	10.7
343.13123	10.9
371.12326	9.8
386.15082	34.4
388.16449	15.9
388.88718	7.3
400.16656	25.6
428.16016	43.2
430.17703	17.0
446.17126	100.0
447.17715	9.5
448.18808	18.4
464.18127	29.6
567.22064	9.2
585.23236	19.9
603.24335	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
91.70995	10.7
143.33537	4.8
189.85907	5.2
223.65204	5.4
231.81754	4.9
408.63986	5.2
419.22522	6.7
431.18311	7.4
446.21024	9.6
447.21408	8.0
517.04034	5.9
533.25580	12.5
561.24927	18.3
562.87683	5.9
593.27686	6.3
621.27106	100.0
621.38422	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	621.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	84.6
57.54693	6.6
67.27866	7.7
80.03278	9.9
83.04966	11.8
92.87096	7.9
94.36258	9.3
106.34103	12.0
123.31438	9.1
141.06970	18.3
141.59639	8.0
147.02025	8.6
147.11685	21.5
156.98352	8.8
159.08041	14.3
175.01610	12.1
176.19037	10.2
223.05165	100.0
241.06212	12.2
271.20535	15.1
279.11389	30.0
282.81671	10.0
298.26877	10.4
335.17737	12.2
335.56888	10.3
453.12064	18.6
509.18692	47.0
621.30908	21.9
621.39673	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05993	3.3
50.06234	3.5
50.21873	3.1
50.78476	3.0
52.12612	3.4
52.34805	2.8
53.96207	3.1
55.05527	4.1
57.07081	8.5
57.85458	2.9
69.07072	11.3
71.08627	3.9
72.04508	85.1
72.04868	5.8
76.14716	3.3
83.08651	3.9
85.31656	3.4
85.97284	3.5
105.14996	3.7
114.09215	11.7
122.97665	4.4
128.10786	4.9
158.73692	4.0
165.48875	4.5
184.07336	3.9
256.26410	5.8
262.63483	4.3
310.31012	100.0
312.32523	24.2
367.35806	7.2
456.84335	4.1
525.37335	5.2
621.40015	9.6
622.40332	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	622.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76276	0.8
53.58979	0.9
54.55981	0.8
55.39952	1.0
56.05028	1.1
60.08153	9.7
71.07363	4.2
74.17710	1.1
86.09172	2.5
86.09697	44.9
98.98470	3.7
104.10753	3.7
113.63046	1.0
125.00001	21.1
184.07330	100.0
187.15105	0.9
196.64061	1.0
209.00089	1.1
380.36487	1.2
388.00760	1.2
443.19046	1.4
451.18304	1.4
487.76254	1.2
622.39771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1246
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
54.93104	0.2
59.30473	0.2
60.43166	0.2
65.97429	0.2
67.01849	0.4
68.99781	0.2
72.59962	0.2
85.68238	0.3
91.05467	0.2
119.04928	1.4
121.02835	0.6
145.02800	0.3
153.01810	3.1
161.92995	0.2
163.03862	0.3
171.02844	0.6
185.06067	0.2
193.12151	0.2
196.05800	0.2
204.47385	0.2
229.04976	0.2
230.45088	0.2
271.05988	100.0
272.06345	2.2
272.32309	0.2
447.09198	20.2
448.09338	0.5
623.12469	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	623.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72960	1.1
70.06599	2.4
89.33150	1.2
136.73241	1.2
153.01874	2.2
165.66469	1.2
172.63654	1.2
177.20061	1.2
206.48196	1.2
271.05988	100.0
272.06705	1.5
354.27518	1.3
432.95871	1.7
447.09180	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	623.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68853	3.8
63.43763	4.2
81.98331	4.2
97.02910	7.0
114.24164	5.8
119.01920	11.4
124.02435	8.9
142.03487	11.4
142.88541	4.7
143.01913	14.0
146.87486	5.0
155.01907	17.3
161.02939	5.6
165.05116	12.6
167.01913	5.4
168.05025	4.9
173.03011	11.5
177.05162	6.3
184.04454	34.0
185.02948	24.3
196.04575	20.4
197.03032	5.8
208.04556	23.9
220.04500	7.2
226.05730	6.6
227.04010	8.4
230.06607	6.2
233.94408	5.2
235.13141	5.7
242.58418	5.8
244.57150	5.9
245.05022	100.0
263.05832	6.5
275.06085	8.6
281.06564	59.5
286.07709	20.7
299.07553	31.0
300.10904	5.5
304.08130	66.1
305.06918	10.0
316.08539	7.4
317.08661	10.4
322.09320	28.4
323.07782	16.1
341.08725	42.0
345.10721	14.5
359.09882	8.3
364.10269	63.3
371.09488	7.0
382.11493	33.0
383.10031	10.1
401.10712	8.1
425.10629	31.5
443.11887	23.6
461.12897	27.9
623.17560	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	623.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61272	22.1
67.05474	50.6
69.07066	46.0
74.00648	26.9
74.97021	23.5
77.52475	24.5
78.50991	26.6
79.05487	27.8
79.46864	26.0
81.07056	97.1
83.06100	62.4
84.04496	71.0
85.37083	26.0
92.36757	24.9
93.07054	40.5
94.61932	21.6
95.08605	100.0
104.66325	33.8
107.08584	86.1
109.10153	80.4
121.10110	33.2
123.11690	48.9
129.06519	32.8
135.11650	56.5
154.03221	42.8
163.00529	31.0
191.43880	29.8
231.26341	30.8
241.89998	27.5
249.05373	68.2
256.61758	35.8
259.43448	28.4
270.50735	31.6
346.80005	27.3
354.94772	27.8
458.25439	41.2
543.30212	31.4
553.12958	34.4
561.32343	33.4
623.32068	85.9
652.40967	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07710	6.0
51.54016	5.6
55.05494	26.8
56.48446	6.1
57.03430	9.4
59.63088	5.4
67.05497	100.0
69.03415	25.6
69.07047	15.6
72.59960	5.7
79.05476	21.2
81.03403	28.0
81.07066	51.3
83.04977	11.6
91.05457	20.0
93.06998	34.0
95.04971	12.9
95.08594	20.2
97.02903	13.9
97.10176	9.4
105.07048	12.9
107.08568	26.3
109.06524	9.7
109.10138	55.8
117.07019	9.3
119.08585	24.0
127.03949	9.1
129.06955	9.9
133.10123	7.2
135.11722	17.6
145.10104	11.2
171.11688	9.1
173.11707	9.9
176.11998	8.5
229.14287	12.7
361.57199	8.4
391.97388	8.4
484.52267	8.3
545.86041	10.0
605.37097	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	623.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
81.77455	43.2
84.81934	37.4
91.71618	100.0
94.86595	41.7
95.69163	44.7
103.01108	44.1
106.59197	49.6
136.31052	45.8
195.00763	52.8
239.99951	44.0
283.61697	63.2
294.06891	45.6
296.94821	48.3
334.42493	47.2
334.86624	53.9
348.81726	61.0
526.74377	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26156	4.8
56.34459	4.5
67.05492	5.4
69.07058	8.4
79.05477	6.6
81.07030	5.7
81.46742	5.5
89.50461	6.0
91.05492	5.8
93.07043	6.5
107.08597	7.1
129.50339	5.0
132.13252	5.3
136.69917	4.9
137.49348	5.7
150.56429	5.8
152.32516	5.1
184.07294	6.5
245.88106	5.8
285.51306	7.1
317.20926	7.6
585.15295	7.0
623.42773	100.0
624.42859	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	624.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.0
58.99563	15.7
60.76581	3.6
67.05501	6.2
76.02213	100.0
79.05461	11.2
81.07029	8.9
84.04483	7.8
86.99049	6.0
87.75448	4.0
91.05479	13.9
93.07034	15.3
95.08561	4.4
100.02238	4.6
105.07017	13.3
107.08560	10.2
116.01643	22.1
117.07067	7.6
117.96614	4.7
119.08556	5.9
121.06497	6.6
121.10180	5.1
129.07045	6.0
130.04993	5.4
131.08543	12.4
133.06453	5.7
133.10159	8.8
142.03197	7.6
143.08562	5.7
144.01151	11.6
147.08060	4.6
159.11816	4.6
161.09737	4.9
162.02194	50.4
169.10106	4.1
171.11653	6.5
178.74829	4.5
179.04836	96.2
196.25113	4.3
197.13231	4.6
215.14423	5.1
233.05981	16.4
251.96028	4.7
299.20087	7.3
308.09119	32.7
317.21066	13.8
624.29938	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	624.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
56.05026	1.9
58.99581	12.1
67.05483	8.9
69.07047	3.4
70.02940	2.4
76.02218	100.0
76.03975	4.2
79.05492	12.3
81.07034	6.8
84.04501	14.4
86.99027	4.0
88.02203	2.2
91.05461	13.3
91.71712	2.1
92.59293	1.9
93.07036	13.6
95.04957	4.1
95.08602	6.9
97.06567	2.2
100.02190	2.8
100.05988	2.0
105.07004	13.1
107.08591	6.1
107.83801	2.0
111.16010	1.8
116.01658	21.4
117.07005	7.2
119.08565	7.2
121.06514	5.9
121.10141	4.3
123.08100	2.6
129.06964	7.9
130.05020	5.6
131.08554	11.1
133.06503	2.2
133.10118	5.0
142.03210	5.8
144.01164	8.6
145.06464	2.9
145.10143	5.9
147.08035	3.2
149.09647	10.4
155.08539	5.2
157.10162	2.8
159.08028	4.3
161.09615	3.6
162.02179	35.9
171.11670	5.7
179.04839	78.0
185.43323	2.4
189.12756	3.4
191.95549	2.2
197.13255	3.6
215.14259	5.8
233.05869	11.8
245.05965	4.0
249.37920	2.2
256.42307	2.3
281.18909	3.3
299.20023	14.2
308.09061	28.9
317.21143	8.4
338.46896	2.2
392.22620	4.9
477.24225	6.9
509.02432	3.0
578.12994	3.0
624.29688	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	624.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91862	8.5
54.63118	11.0
55.06997	9.4
58.11729	10.9
70.31098	10.3
74.00665	12.0
81.07053	22.0
91.05489	19.4
91.71071	22.4
93.07077	15.6
98.83376	13.6
105.07045	25.9
112.02245	16.0
123.48330	11.2
134.17865	14.1
152.05267	23.4
168.08412	28.4
255.07968	19.5
304.37640	16.2
374.21292	20.3
464.70529	14.4
477.24280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36758	0.2
69.03416	1.1
81.03405	0.5
81.07029	0.5
85.02885	1.1
85.14132	0.3
91.05466	1.3
97.02876	0.6
99.04421	0.6
101.26318	0.4
103.03899	0.4
105.07001	0.4
118.06518	1.0
119.04911	0.7
121.10124	1.2
127.03924	0.9
137.05966	2.5
146.06030	1.1
147.04414	0.7
147.11664	0.3
149.04692	1.4
161.06009	0.4
164.07053	100.0
165.07407	1.2
189.24858	0.3
197.79797	0.4
227.10565	0.3
254.19919	0.4
318.20621	0.5
451.87042	0.4
624.30188	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	624.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.93171	0.2
65.97643	0.2
67.05481	0.2
69.03390	0.5
81.03394	0.7
81.07027	0.5
85.02883	1.1
91.05464	1.1
93.81944	0.3
97.02857	0.3
99.04412	0.9
109.02881	0.5
109.73386	0.3
117.07011	0.3
118.06533	0.8
121.10117	1.1
123.11699	0.4
127.03874	0.9
127.57988	0.2
137.05969	2.5
146.06018	1.2
146.54633	0.2
147.04417	1.0
147.11679	0.4
149.04729	1.2
149.05875	0.3
161.05936	0.5
162.05481	0.3
164.07053	100.0
165.07426	1.2
173.06096	0.3
175.07518	0.3
182.32130	0.3
184.93590	0.3
242.90024	0.2
492.45850	0.3
512.65009	0.3
564.47302	0.3
624.30072	12.7
625.30505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98069	0.4
52.94417	0.4
53.77955	0.4
56.41954	0.4
59.57053	0.4
70.06587	0.8
70.95995	0.5
84.60847	0.4
85.02829	0.5
91.05463	0.9
118.06514	1.7
119.04913	1.0
121.10104	0.5
127.03909	0.7
137.05995	0.8
147.04375	1.4
164.07059	100.0
165.07379	1.5
624.30219	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	624.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98050	0.5
59.28175	0.4
65.52720	0.5
70.06555	0.6
72.08136	0.6
75.98427	0.5
77.23148	0.6
80.41837	0.5
91.05433	1.4
97.02839	0.6
100.89763	0.7
118.06516	1.3
119.04955	1.1
147.04370	1.3
164.07050	100.0
165.07384	1.3
193.22002	0.6
498.63501	0.7
554.47736	0.8
624.30249	5.6
627.85461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95271	8.9
51.02996	8.9
57.07056	29.3
71.07967	13.1
75.03066	8.7
80.58200	8.1
84.57745	9.0
85.74498	10.0
86.09692	39.6
97.81318	9.2
103.03936	40.1
125.00062	12.6
139.37729	10.7
184.07336	100.0
237.10837	12.2
255.49525	12.3
267.15131	30.4
301.00653	13.2
311.17661	14.7
488.01596	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	625.1397
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
61.02920	1.0
67.01858	1.2
69.03416	4.5
69.33762	1.0
70.06573	1.8
70.30235	1.1
73.90797	1.0
79.75867	1.1
81.03391	1.4
84.04459	1.2
85.02892	8.9
97.02943	2.9
99.04406	1.2
105.21838	1.2
113.51903	1.1
127.03867	2.1
153.01851	2.8
180.51166	1.6
256.49789	1.3
259.06067	1.4
287.05478	100.0
288.05865	1.9
378.22781	1.3
422.65448	1.3
463.08670	26.5
625.14020	3.6
645.51270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00847	1.0
57.32535	1.2
59.88364	1.1
70.06579	2.2
78.50159	1.1
85.02893	2.3
86.09701	1.2
94.23368	1.2
112.32892	1.2
135.04388	2.1
153.01845	2.9
164.07066	5.3
183.03767	1.3
287.05472	100.0
317.06628	2.4
463.08633	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	625.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68519	1.8
56.05021	2.7
60.04511	4.3
70.06570	11.1
75.89201	2.8
84.08136	31.7
85.05484	2.1
91.05475	12.4
119.04955	9.9
120.08159	3.3
129.10228	4.3
130.06520	8.0
130.08641	8.4
132.08063	18.0
136.07568	83.8
144.08086	3.4
147.11273	7.4
159.09161	100.0
164.07047	41.9
165.07428	18.0
170.06006	5.5
216.54547	2.3
221.64174	2.6
288.17041	3.3
333.19122	6.8
465.25665	2.7
580.53632	2.8
625.20709	4.7
625.29999	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	625.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87257	3.7
55.54406	4.5
63.59187	4.0
64.24276	4.7
68.62293	5.4
81.95779	4.8
149.58279	5.0
160.52245	4.7
179.60564	5.5
190.69009	5.9
245.09793	5.3
264.90164	6.1
434.26974	5.8
625.39166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03441	3.7
57.07067	17.6
58.06310	3.4
58.06591	53.3
59.07369	16.5
60.08144	13.9
67.05502	14.7
67.96664	2.3
71.08609	8.8
75.04473	3.2
81.07030	3.8
85.02900	4.4
85.10166	5.3
87.04487	5.3
89.06021	17.0
95.08601	5.0
109.10169	6.1
120.05222	3.6
133.08632	14.2
144.10181	20.1
162.11250	10.1
182.83794	2.9
236.14912	100.0
372.23788	7.7
390.24921	6.6
407.20212	3.5
456.36783	7.3
474.37988	14.8
628.47766	87.4
629.48468	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	629.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03401	3.4
56.14688	3.4
57.48315	3.3
63.81119	3.3
70.06584	100.0
70.06940	7.8
86.09721	17.6
105.55367	4.2
127.08709	10.5
155.08148	25.1
173.12891	5.6
215.43448	4.1
217.73749	4.6
224.10376	13.7
242.11461	12.9
246.81047	4.1
260.76941	5.3
347.77570	4.9
444.24277	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	629.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20377	7.2
54.84273	7.2
61.34657	7.8
66.10970	7.7
70.06566	8.3
84.08138	87.3
86.09702	100.0
87.05573	14.5
91.36550	8.1
129.10248	70.0
137.02338	12.0
146.44041	9.0
157.13348	24.5
158.10432	12.7
201.64598	10.2
209.09219	27.8
225.01347	9.8
225.19649	10.5
226.11926	27.6
228.88643	10.2
243.14528	35.3
332.34402	9.8
333.33005	9.5
375.39862	11.1
427.26682	11.8
540.35284	22.6
629.39166	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87411	2.3
56.85323	2.8
60.07906	2.7
60.08163	34.1
68.05025	3.7
69.05781	4.4
73.02882	3.7
73.50802	2.8
79.65706	2.8
85.02907	5.6
100.02210	3.2
103.35359	3.0
103.94817	2.8
127.03262	100.0
131.03410	3.4
137.18494	3.2
150.37868	3.2
152.15056	3.4
185.09862	10.0
197.05968	79.2
225.05447	73.6
226.06329	6.6
255.40736	3.6
269.02539	4.0
271.29276	3.1
351.08014	28.6
410.15366	63.0
586.18481	51.8
589.30811	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	630.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32124	8.5
52.57617	8.1
57.07066	17.8
58.93401	8.9
61.68242	8.0
70.06577	51.6
78.29494	9.4
88.07618	48.9
91.19443	9.6
95.67692	9.9
102.09184	32.1
149.02322	60.3
193.04932	75.9
195.29245	9.9
211.69614	11.6
228.23221	84.0
237.07581	21.9
341.06427	14.5
385.09369	27.9
429.11911	33.6
582.43805	13.6
630.32574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
57.03428	7.1
57.07067	9.7
58.06598	62.2
59.07367	18.2
59.46189	4.7
60.08147	14.4
69.07077	8.3
71.08617	7.8
83.08597	17.3
91.70988	10.7
95.18020	5.9
143.23294	5.8
144.10222	21.5
145.32849	5.5
162.11301	13.6
165.79063	6.3
206.55489	6.4
212.01701	5.8
213.56784	6.4
236.14931	100.0
374.22015	13.0
456.36655	9.0
474.37982	23.8
630.45886	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	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58881	16.0
63.19238	17.5
85.72318	17.4
91.71391	65.9
94.06569	29.1
110.09660	23.0
120.08030	23.4
123.64503	18.6
124.56297	19.0
136.07607	28.1
138.09183	31.0
146.06004	55.6
148.07607	34.7
166.08611	100.0
190.04980	36.0
239.11696	28.0
297.12411	58.5
299.13931	57.9
300.14618	33.1
309.12518	34.7
315.13596	22.1
337.11780	32.4
436.09567	23.3
464.21701	37.0
467.34631	23.2
501.10349	26.1
613.26215	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
80.74105	11.0
81.03397	13.8
84.27219	11.4
85.02901	83.9
91.71439	61.2
97.02907	25.4
99.04454	42.7
103.03938	99.9
109.02850	15.8
110.70755	11.5
121.10179	21.4
127.03908	100.0
129.82431	12.6
135.38951	14.6
145.04964	64.4
162.93343	12.6
163.06021	60.8
198.52460	13.6
201.93333	15.8
245.98804	15.6
307.10089	15.2
331.63852	15.1
345.34076	15.6
391.95929	15.3
423.79294	15.7
450.70798	17.3
660.55524	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	632.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88066	19.8
52.96563	17.1
55.01857	23.6
55.05503	34.7
55.14516	17.1
56.27280	16.2
58.99546	27.5
67.05500	22.5
76.02209	65.1
79.51000	20.3
81.07036	48.3
81.60262	24.7
83.06071	24.2
84.04501	50.0
109.56434	22.7
116.01672	31.2
148.25552	21.7
153.12587	24.7
162.02322	31.0
177.82207	21.5
192.82068	27.4
300.25861	22.2
324.72516	24.2
330.82098	25.9
364.19235	35.5
454.54437	27.3
464.02072	24.8
467.21771	31.2
469.09763	30.0
485.23123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	46.4
81.07047	60.2
83.08616	55.6
90.60715	32.0
91.05470	60.8
93.07041	98.7
95.04932	59.9
95.08629	35.9
105.07016	100.0
107.08591	49.0
119.08566	99.2
125.09566	49.8
133.10100	36.3
137.09476	35.2
142.07796	44.6
143.10704	44.2
145.10143	63.3
157.10127	51.7
159.11731	37.4
160.08817	57.1
164.62216	37.9
171.40622	34.1
185.11716	48.2
215.14423	40.9
221.15274	59.2
237.15015	36.5
286.11511	36.8
407.50360	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44567	5.5
55.07458	7.0
65.61480	6.6
70.06566	9.5
75.96349	7.0
91.70944	8.9
106.89646	9.1
112.59216	7.7
122.06020	10.7
129.93089	8.1
156.03841	9.2
177.45091	9.1
178.04984	17.3
203.11873	9.0
271.10666	16.1
297.08710	22.4
311.19864	9.3
315.09656	54.7
319.12891	100.0
633.21588	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	633.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35165	5.2
55.05508	8.6
55.09270	5.6
56.40071	5.3
60.51101	6.2
61.49863	6.4
65.41608	6.0
67.05502	11.6
75.01538	7.0
79.05499	8.4
81.07024	15.4
89.87124	6.3
89.87782	6.0
91.05468	12.6
93.07056	13.7
100.58475	7.1
109.95178	6.3
111.48388	6.9
119.08638	10.0
133.22682	8.2
139.08406	11.4
169.81145	8.6
171.05701	14.9
204.34242	8.3
215.07494	7.3
222.70375	7.3
246.07062	8.7
253.82191	9.7
359.46930	7.5
379.53513	9.2
385.24301	11.3
451.01569	8.8
503.20053	8.6
591.21667	8.7
633.35339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
67.05487	6.2
67.42249	1.8
77.74622	2.0
79.05504	3.6
81.07045	5.0
87.00281	2.2
91.05473	5.5
93.07025	4.8
95.08599	5.5
97.28732	2.0
103.15979	2.3
105.07072	3.7
107.08585	2.6
112.79790	2.1
114.12638	2.1
145.10086	2.6
152.90646	2.1
155.08528	3.6
170.71419	2.2
537.69794	2.4
545.02124	2.7
633.45422	100.0
634.45624	6.1
645.95197	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	634.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06836	6.2
57.07070	63.9
58.48711	3.9
59.04986	10.5
63.30212	4.0
83.70036	4.5
87.04463	56.7
89.06035	19.3
93.07043	7.9
103.03932	100.0
103.07579	7.7
115.68945	5.4
119.08552	5.8
121.06515	24.0
131.07082	14.7
133.08597	7.4
135.08099	5.6
144.06540	8.1
147.06546	10.6
147.08083	7.9
149.21895	4.5
150.06801	5.0
151.00351	4.9
152.10632	4.5
165.09120	5.3
175.09711	11.2
191.09183	6.0
212.90126	5.1
233.19037	16.0
277.21649	13.5
446.02545	7.2
634.41626	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	634.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26982	14.5
57.07061	54.5
57.38500	14.7
61.48040	17.2
62.59438	16.5
62.99052	15.4
67.05489	40.4
71.04980	21.7
71.08622	80.9
74.46507	16.2
76.91621	16.9
79.05482	16.4
81.07065	24.9
85.10168	44.3
87.04454	23.8
88.52512	18.9
89.06020	100.0
89.11018	16.1
91.05458	19.4
93.07087	35.3
95.08625	62.0
97.06513	89.4
121.06528	32.9
130.08711	19.3
131.11238	17.6
133.08591	61.9
162.13916	19.6
163.11172	57.2
177.11055	21.3
240.79883	18.8
244.36716	19.2
247.20636	24.9
288.84442	19.4
291.23053	38.4
313.27600	19.2
334.84439	23.2
493.38513	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42891	8.5
51.49516	9.3
55.05499	31.8
56.23363	9.1
57.03425	11.1
67.05494	88.9
69.07057	28.9
79.05492	68.9
81.07053	84.2
83.05004	11.1
83.08566	13.6
91.05476	42.6
91.76601	9.6
93.07037	100.0
95.04969	15.9
95.08582	53.6
97.06546	18.0
105.07019	44.0
107.08555	25.4
109.10144	20.2
119.08576	19.0
121.10143	46.0
121.69559	11.9
131.08513	19.3
133.10117	13.9
133.91455	13.1
138.98795	12.4
145.10149	16.1
150.27599	10.4
159.11720	13.6
164.46599	11.5
214.57315	9.9
269.17627	13.9
307.22787	37.1
501.35706	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	634.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.9
57.03441	19.7
65.20083	10.1
67.05487	61.4
67.30762	12.2
68.17971	10.0
69.07072	20.2
79.05512	39.1
81.07040	100.0
91.04914	12.6
91.05496	51.8
93.07004	70.3
95.04980	16.7
95.08620	45.5
105.07054	27.8
107.08617	32.0
109.10213	18.3
117.07122	13.3
119.08616	24.4
121.10200	26.1
124.75455	12.8
145.10208	19.7
147.11707	15.7
156.30190	12.5
160.53842	13.4
169.17815	12.2
175.28961	13.1
185.59651	13.9
185.61307	16.0
275.20221	31.3
278.19189	15.3
307.22690	85.9
325.62799	14.4
331.75589	15.2
349.23480	16.1
396.44391	14.5
474.56662	16.2
513.36566	13.7
599.43225	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	636.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91907	1.5
59.06379	1.8
60.00917	1.4
60.08149	8.6
68.87534	1.7
69.61654	1.7
71.07363	3.8
86.09702	45.2
98.98460	4.0
104.10703	1.8
121.06522	3.5
125.00010	23.1
184.07333	100.0
229.76553	2.1
274.02924	2.1
636.41541	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	636.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19433	2.7
56.66354	2.5
57.07069	31.3
62.06044	2.6
67.05167	4.2
67.05495	39.7
69.07053	15.5
71.04996	5.2
71.08620	23.2
81.07051	57.5
83.08601	14.5
85.06534	6.1
85.10177	9.5
91.05449	4.5
95.08601	66.8
109.10152	7.0
122.28889	4.0
123.11691	4.3
137.13242	4.0
140.14804	3.3
147.11722	6.0
208.17007	9.4
226.17999	7.3
292.50235	4.0
306.14612	3.6
346.77063	4.1
388.02368	4.1
495.40384	100.0
618.41321	7.1
636.41608	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16631	9.7
61.65719	7.6
63.74453	8.1
66.51683	8.6
71.42823	8.8
81.07098	10.2
94.20843	9.9
108.89726	9.5
113.20437	9.4
120.22897	10.2
128.67516	10.6
131.43936	12.7
192.72655	11.0
256.47864	11.6
272.89505	11.9
399.77621	13.3
415.19177	13.4
559.23163	97.0
619.25690	100.0
636.43225	17.9
637.26794	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	637.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	4.6
55.05516	9.2
57.07070	75.7
57.94899	1.5
63.31643	1.7
65.03944	7.8
77.39389	1.8
79.05506	2.2
83.04971	81.3
91.05469	18.0
91.96593	2.0
98.98507	5.5
105.07022	10.4
115.05494	3.2
117.07021	4.9
119.08580	10.1
128.06242	2.1
129.07042	3.4
131.10069	2.1
132.09370	6.0
133.10162	3.6
141.07001	12.8
147.08095	2.5
147.11681	50.0
147.12782	3.7
151.01624	8.8
159.08075	7.9
159.90884	2.2
161.13315	3.1
163.01602	5.5
169.07520	3.0
175.01608	9.3
181.02592	2.4
227.04745	5.7
239.04771	8.9
337.02307	48.2
378.04987	7.3
393.08643	13.1
413.05603	4.1
437.35269	2.7
450.98865	2.7
469.11911	8.2
525.18048	23.7
581.24292	100.0
637.30670	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	637.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07426	2.4
55.01855	2.7
55.05511	4.7
57.03442	25.2
57.06805	2.9
57.07074	44.6
61.02921	59.2
67.05488	11.9
69.03428	33.9
69.07059	7.0
69.51750	2.2
71.01363	4.8
71.04988	3.9
71.08615	25.1
73.02901	22.4
79.49191	2.9
81.03404	21.5
81.07043	15.3
83.08616	11.7
85.02899	100.0
85.10172	14.1
89.38772	2.4
91.03951	44.6
95.08617	19.2
97.02886	84.9
97.10155	4.0
99.04463	11.0
101.02394	8.8
103.03962	8.3
109.02866	16.5
109.10139	8.6
111.04431	3.0
115.03938	7.2
127.03912	32.8
129.05498	5.7
137.13254	3.1
145.04948	14.2
149.57587	2.5
157.81215	2.7
163.05989	4.8
177.69862	2.8
183.06523	8.9
201.07613	9.6
211.86731	3.1
215.24280	3.3
216.27391	2.7
217.36037	2.7
239.23750	13.4
257.24899	3.9
313.27338	93.3
370.58356	3.3
457.31638	10.6
475.32339	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	637.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42236	15.9
57.03426	18.3
58.39429	14.2
58.96380	15.3
67.05485	87.4
75.19259	20.2
76.42455	17.2
79.05469	33.5
81.07045	81.0
86.50510	19.8
91.05478	53.3
93.07031	63.8
95.08586	100.0
100.96199	19.9
105.07028	31.7
106.31799	18.0
107.08562	22.0
109.10179	34.1
119.08573	29.1
121.10143	20.8
135.55623	19.7
145.10091	20.3
159.11703	25.1
185.47635	20.6
245.45193	20.7
285.22092	35.8
312.02341	22.4
637.49030	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	21.2
58.12680	9.3
59.69479	9.9
65.49455	9.9
80.43533	9.9
89.59729	11.7
167.19412	12.5
170.08971	11.7
312.05054	19.5
331.15878	14.0
346.03882	26.0
349.16772	16.8
372.18539	72.8
638.24121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	9.0
62.79283	1.7
71.07348	2.4
75.80551	1.9
86.09697	36.6
91.71645	4.1
98.98444	2.3
104.10721	2.7
124.99995	16.0
184.07321	100.0
281.51401	2.3
299.69754	2.3
334.39355	2.3
604.39630	2.2
638.43793	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	638.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.3
54.02831	1.7
55.01861	2.9
55.05502	23.0
56.65427	1.7
57.03429	2.4
57.07065	31.7
60.37124	2.0
60.93078	1.8
62.06061	2.1
67.05217	1.8
67.05495	18.9
69.07059	37.4
71.04985	2.0
71.08617	19.4
72.40118	1.8
76.71387	1.9
79.05466	2.6
81.07051	28.2
83.08609	38.3
85.10178	9.1
91.70926	5.0
93.07034	9.7
95.08601	23.4
97.06518	5.6
97.10153	10.1
107.08592	8.4
108.12660	2.2
109.10149	9.5
111.08084	4.4
111.66985	2.3
121.10154	3.3
123.11717	5.3
149.13234	11.7
151.37100	2.3
167.14320	8.0
224.83470	2.3
228.19487	3.6
239.23732	4.2
241.17938	20.2
268.09821	2.5
313.27518	5.0
338.28418	2.8
339.25092	2.2
497.41965	100.0
498.42529	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1189
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.05474	0.6
55.04778	0.5
65.83156	0.5
67.01839	0.9
70.06565	1.8
71.01327	1.5
73.02887	2.0
74.06030	0.8
85.02892	4.5
86.09672	1.1
89.32123	0.5
89.85879	0.8
95.01296	2.6
112.90439	0.6
113.02361	1.1
120.08096	0.7
135.04416	2.3
141.01845	4.3
153.01820	4.2
166.08545	1.2
171.02815	0.7
186.08690	0.7
284.07074	0.6
287.05466	100.0
288.05695	1.3
435.69702	0.8
463.08640	29.0
639.12048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1191
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.10526	0.5
67.01826	0.7
67.07961	0.6
68.59869	0.5
69.90538	0.7
88.16904	0.6
89.85841	0.7
116.87525	0.5
135.04353	1.1
149.86702	0.8
153.01833	3.4
161.55956	0.6
171.02847	0.8
176.42462	0.6
239.02542	0.6
270.53973	0.7
287.05469	100.0
288.05725	1.5
323.98141	0.8
380.20346	0.7
463.08685	24.3
639.11548	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1193
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.51829	1.1
58.83876	1.1
58.95065	1.3
60.21744	1.0
60.56374	1.2
62.66848	1.3
68.64137	1.2
70.06569	2.2
73.32412	1.7
84.08097	1.4
85.02908	1.6
85.30386	1.2
86.09686	1.9
91.05499	1.6
103.15445	1.4
119.04967	3.4
120.52148	1.4
120.70750	1.6
144.37283	1.5
159.09210	3.9
169.01378	3.6
248.40524	1.7
277.12854	1.3
287.05487	100.0
435.11694	1.8
463.08780	7.4
639.11627	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	639.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64540	0.3
61.10835	0.4
62.23754	0.3
71.01336	1.4
73.02910	0.7
73.03379	0.3
74.83508	0.3
76.29838	0.4
80.26461	0.3
85.02876	0.7
85.73892	0.3
89.85834	1.1
97.02878	0.7
101.02402	0.6
118.18778	0.4
135.04411	1.0
137.51427	0.4
153.01822	4.1
156.06442	0.4
171.02962	0.6
258.02499	0.5
269.94614	0.4
286.04492	0.7
287.05469	100.0
288.05774	2.3
353.09641	0.4
408.84961	0.5
453.08630	0.4
463.08688	27.4
464.09015	0.7
468.06552	0.4
639.11694	4.6
649.31885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34666	0.2
55.86574	0.2
58.62982	0.3
67.01849	0.3
70.06565	0.6
75.40316	0.3
83.75572	0.3
89.85837	0.8
102.61940	0.3
135.04408	1.0
137.02386	0.6
151.21857	0.3
153.01813	3.1
161.02303	0.5
171.02884	0.5
269.04395	0.4
286.04639	0.4
287.05466	100.0
288.05649	1.7
463.08661	26.7
639.11719	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	639.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97883	0.6
52.71145	0.7
62.92740	0.7
66.51323	0.7
89.85860	0.8
91.75926	0.8
107.04941	6.2
119.04950	1.8
121.02867	1.3
143.66151	0.8
169.01364	1.5
232.79829	0.9
287.05484	100.0
288.05969	1.2
463.08698	22.9
639.11597	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	639.1193
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
51.00189	0.3
53.55767	0.4
55.61279	0.3
55.95849	0.3
59.25784	0.3
67.01842	0.5
70.06566	0.4
72.08143	0.3
78.26402	0.3
89.85822	0.7
91.71061	0.7
108.13821	0.3
135.04396	1.4
153.01804	3.2
161.02287	0.4
171.02861	0.7
287.05460	100.0
288.05798	1.5
322.43906	0.4
331.86188	0.4
345.84271	0.4
360.60916	0.4
386.85724	0.4
463.08661	19.5
509.61166	0.4
623.22040	0.5
639.11597	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	639.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68278	2.9
54.65854	2.3
58.41553	2.8
65.03917	4.0
69.50000	2.4
72.57267	2.5
76.92937	3.3
101.97099	3.1
124.62021	3.8
139.03883	3.6
149.02330	100.0
149.03397	6.1
193.04956	74.5
237.07536	54.3
287.05560	3.9
341.06473	5.8
385.09073	8.3
391.31155	4.3
429.11841	12.8
577.12854	7.0
621.15961	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	639.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98220	36.6
64.84602	35.8
79.71690	44.7
85.51123	53.5
91.71722	100.0
97.66434	44.4
175.26636	57.0
183.14034	47.0
287.53516	57.6
289.49152	47.7
584.48529	57.3
639.40210	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57898	6.2
51.20480	6.2
53.68471	6.3
69.44660	6.4
72.49140	7.0
73.32539	7.9
76.87663	8.1
116.31390	8.1
151.22929	7.2
167.22075	7.9
238.59468	8.8
329.22293	11.0
521.25635	11.1
581.36090	22.8
639.40118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49285	3.3
59.43166	3.8
64.32480	4.2
70.37600	4.1
87.77579	4.7
178.33841	4.5
204.75609	5.4
357.88437	5.4
541.75818	5.7
563.35193	7.8
581.36346	8.8
639.40302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50973	7.9
78.73079	8.3
81.07056	10.5
89.73662	7.2
93.07014	7.8
94.77412	8.2
118.83669	8.1
163.01189	8.2
171.43068	10.0
334.12708	9.0
639.42218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42910	5.7
53.71406	5.8
54.46749	5.4
67.05478	6.4
81.07047	8.1
90.04809	5.9
118.33412	7.0
161.97778	7.6
167.49710	7.4
172.59111	6.3
179.07458	7.3
285.51135	7.3
333.20511	10.4
572.59058	9.0
639.42395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99365	5.2
62.11665	4.5
62.28373	4.8
66.89103	5.0
67.05498	8.0
81.07006	5.9
91.71738	7.2
92.85381	5.8
115.62478	6.6
147.61583	6.4
159.85020	7.1
164.36108	6.4
305.17111	8.2
333.20450	17.2
490.54303	6.8
540.85437	7.8
639.42120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51632	3.6
54.05639	3.9
55.76334	4.5
56.96544	8.4
60.08144	13.1
62.08972	3.8
63.12494	4.0
64.32577	5.4
65.59727	4.2
70.76611	4.2
71.07367	8.0
83.01888	4.3
86.09690	24.7
96.98073	4.9
104.10737	100.0
198.96762	8.4
221.98495	8.2
241.21080	6.5
286.10220	5.7
288.72235	5.1
338.00946	5.8
341.17813	18.5
478.55017	7.1
524.24408	9.2
580.26709	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	640.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42485	0.7
56.00856	0.7
61.46637	0.8
71.05750	0.9
80.09889	0.8
85.02910	0.9
107.04991	0.9
114.17390	0.8
115.57309	1.0
116.45811	0.8
119.66167	0.8
121.10088	1.0
129.27446	0.8
134.06013	4.5
152.07037	1.0
162.05469	2.0
163.03978	1.1
164.07060	3.9
180.06548	100.0
181.06853	2.4
277.23819	0.8
381.09006	0.9
478.70804	1.0
585.55542	1.0
620.64905	1.1
640.29498	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	640.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56887	11.2
56.09493	11.7
57.48855	11.5
67.04272	14.6
67.05492	78.1
69.07044	13.8
76.02221	100.0
79.05485	17.3
81.07047	70.1
84.04500	23.8
93.07053	32.0
95.08599	36.4
107.08560	20.1
109.10172	26.8
116.01695	27.0
121.10166	16.8
122.01147	14.9
162.02205	37.6
179.04825	75.2
226.25578	19.2
280.43109	16.2
308.09195	19.7
434.50870	21.3
435.57083	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	640.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73493	11.8
53.00288	15.1
55.05494	29.7
57.03425	48.9
57.07057	66.5
61.46797	12.1
67.05493	74.3
69.07072	25.8
71.08622	53.4
73.29388	13.4
79.05468	34.1
81.07032	85.6
83.08610	28.9
85.10174	37.6
90.66299	12.3
91.05475	71.0
93.07033	63.0
95.04936	15.4
95.08607	65.2
97.10172	16.7
105.07027	52.1
107.08643	18.0
117.07013	21.6
119.08582	44.0
121.10132	25.8
131.08582	21.5
133.10100	19.2
145.10120	16.8
241.42192	17.1
275.20114	33.1
309.37982	17.3
313.27240	100.0
339.71713	18.2
547.43555	39.1
587.46686	23.6
593.03137	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	640.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19204	8.2
52.27671	9.1
53.15080	8.7
53.80513	8.6
55.05496	28.5
57.03426	14.0
57.07062	67.6
67.05500	100.0
67.27562	10.3
69.07041	36.1
70.51559	12.0
71.08611	36.4
79.05473	49.0
81.07050	90.4
83.08578	22.2
85.10173	31.1
91.05474	39.8
91.71759	28.2
93.07034	63.1
95.04956	15.8
95.08606	72.5
97.06512	15.9
97.10159	19.0
105.07040	21.9
107.08570	25.3
109.10143	29.0
117.07047	23.6
124.26514	13.5
131.08517	12.8
133.10179	24.5
145.10147	21.0
173.53885	14.0
189.01492	12.8
275.19989	30.8
313.27377	76.7
349.23843	21.3
383.73987	15.9
436.43442	14.7
474.04544	17.0
507.40466	80.2
533.00128	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	640.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70129	3.4
55.05509	4.8
55.12144	3.3
57.07071	47.1
60.10417	3.1
64.96043	3.9
69.07046	6.7
69.67345	3.6
71.08630	34.3
73.06546	10.3
81.04229	3.6
83.08605	7.0
85.10181	21.0
87.04451	7.8
89.06026	100.0
89.06545	8.4
97.10167	11.4
98.76226	3.6
111.11733	5.0
114.71371	4.7
117.09113	6.5
130.08656	15.7
130.81503	4.7
133.08592	60.8
154.70477	4.1
155.42346	5.6
168.18294	4.3
177.11266	16.3
341.34119	6.1
371.22687	5.7
610.87994	5.5
617.13324	6.0
623.50793	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	641.2606
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
67.36001	2.9
69.32817	3.2
70.98981	2.9
77.63656	3.8
93.07064	8.0
108.04515	3.4
108.08147	6.6
120.04517	8.7
120.08150	11.7
146.06046	18.7
148.07632	13.9
150.09172	5.1
168.08119	5.1
170.70560	3.7
172.03958	9.2
184.07489	5.1
190.05104	15.5
204.06679	14.2
213.10291	16.7
215.11722	4.7
222.07817	3.8
227.11923	4.9
236.09467	6.1
241.09856	6.1
243.11418	14.0
251.11838	5.5
253.13536	10.7
255.11252	8.5
257.13135	4.3
264.09003	8.0
269.09256	7.7
279.11407	15.9
281.12720	20.0
283.10831	8.0
285.12436	14.7
287.10229	24.3
303.13458	8.8
307.10776	35.9
309.12283	4.5
311.13983	6.9
323.10123	4.9
325.11771	19.7
339.13367	20.2
344.14090	5.7
386.15063	5.1
432.15662	5.3
450.92453	4.7
567.22638	5.4
581.23688	12.6
591.22473	12.8
609.23346	100.0
623.25403	12.0
641.25977	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	642.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65931	5.0
57.56769	4.8
58.99577	13.4
70.06590	8.5
73.25905	5.0
76.02218	100.0
82.93862	5.2
83.95082	4.8
84.04504	24.7
84.08135	9.2
91.81137	5.1
98.87883	5.5
116.01694	23.5
117.95039	6.2
130.05017	11.8
137.31010	7.7
142.03207	9.1
144.01129	14.1
155.93997	6.3
162.02214	31.8
179.04861	52.5
194.00218	5.4
229.09781	7.8
233.05894	20.5
243.11240	9.3
273.79483	7.0
308.09100	70.2
308.12347	9.8
335.12292	15.5
382.65994	7.6
540.03839	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	642.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	40.4
76.02216	17.5
84.04495	11.9
97.95023	13.0
103.25871	12.3
127.69334	12.4
138.79515	12.8
139.75275	12.4
164.07065	100.0
166.00897	14.1
259.86255	14.2
289.31290	14.4
498.34653	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	642.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80988	4.3
57.07062	13.1
57.29717	4.4
59.76365	5.0
67.05516	8.8
69.07083	5.5
71.08617	12.6
81.07038	31.6
83.08627	6.3
85.10138	7.3
95.08566	9.0
95.18045	5.5
95.18678	5.2
109.06521	10.1
111.04414	9.1
123.11751	6.4
129.82393	5.7
137.05966	100.0
182.25313	4.9
265.54794	6.5
277.18054	28.7
295.19095	9.0
313.27402	20.4
351.21704	7.0
400.04727	5.7
506.03922	6.3
589.44568	39.8
620.52856	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	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	9.8
53.72239	8.4
55.05512	23.2
57.03427	13.1
57.07079	44.4
67.05494	62.6
69.07073	18.7
71.08643	35.4
72.30130	9.3
79.05495	17.2
81.07040	74.6
83.04990	9.7
83.08622	22.8
89.50780	9.8
91.05473	12.1
91.70938	19.3
93.07028	24.5
95.08639	48.9
98.89920	10.3
105.07051	19.5
107.08552	11.7
111.50875	11.7
117.07003	11.2
119.08600	13.5
121.10152	19.4
313.27573	25.9
351.21249	12.2
470.83093	14.6
494.16855	14.4
507.40375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54985	19.7
53.86376	22.3
63.63708	26.7
68.79472	25.7
70.06602	100.0
71.07037	22.3
96.78618	25.0
130.93549	30.5
134.06081	39.7
137.06035	42.4
141.37332	31.7
164.81442	29.6
206.70232	29.0
208.77872	32.3
393.08234	34.3
611.21802	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	643.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06805	4.7
62.34451	5.6
65.55142	4.7
66.11475	4.6
70.06580	100.0
84.08096	6.6
86.09700	21.5
127.08695	17.0
141.06609	8.7
155.08171	20.7
173.12807	6.1
187.19171	5.7
196.46883	7.0
202.20422	5.9
209.38634	7.6
224.10442	7.6
242.11328	20.2
285.33569	6.5
319.02438	7.0
362.04126	6.8
366.03729	6.7
458.26260	18.8
671.67059	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	644.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.7
57.03417	11.7
57.07070	13.6
67.05222	8.6
67.05504	100.0
69.07062	10.0
75.20976	8.3
81.07044	40.9
85.06519	23.1
86.71110	10.3
92.52288	10.3
93.07050	16.9
95.08624	23.6
96.07265	11.4
109.84912	10.9
114.49509	10.9
146.05750	10.4
150.10245	12.0
166.33107	11.5
187.09697	45.5
265.66901	11.3
309.04886	12.0
335.25876	38.2
430.01144	12.4
446.88431	12.3
447.30457	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	644.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43430	1.0
51.47068	0.9
53.94054	0.9
54.09379	0.9
55.05507	6.1
57.03193	1.0
57.03425	5.7
57.07068	7.0
58.06591	61.4
59.07373	14.4
60.08151	13.6
67.05499	3.9
69.07069	1.8
71.08620	4.5
81.07062	3.5
83.08626	3.9
85.02910	3.2
85.10187	2.5
87.04469	3.6
89.06026	1.9
91.63412	1.5
95.08604	2.9
97.10146	5.7
98.06133	1.3
102.05619	1.1
107.08617	1.8
109.10172	1.4
125.09657	4.9
130.08606	1.5
131.07028	2.5
133.08594	2.4
144.10197	20.4
162.11237	5.7
200.12860	1.4
202.36838	1.2
236.14900	100.0
255.08139	1.3
289.64035	1.4
388.23273	7.8
406.24112	8.3
456.36710	11.9
474.37854	15.9
626.46277	2.8
644.47272	89.8
645.48132	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	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.6
57.07064	32.6
58.96432	4.9
71.08621	27.4
73.06565	6.8
83.08636	5.5
84.70496	7.0
85.10175	12.8
85.73274	6.4
86.47810	6.4
89.06022	100.0
90.76544	5.3
91.71635	5.8
115.63412	5.9
130.08655	34.7
133.08589	63.4
158.84573	6.4
162.06606	7.1
175.06616	7.4
177.11238	19.4
196.98842	6.5
204.32275	6.9
214.72574	6.4
218.70018	7.4
305.53326	6.9
534.02960	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	645.47
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37908	1.8
51.99031	1.8
57.07069	7.2
69.07058	2.3
71.08629	4.1
71.89542	2.1
78.24489	2.0
81.07041	3.8
95.08598	5.3
133.08644	2.4
142.97882	2.6
153.49324	2.2
198.64706	2.5
256.48270	3.2
333.20331	13.0
389.22971	5.2
429.93295	2.9
483.71103	3.0
645.36072	4.7
645.47009	100.0
646.47290	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	645.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33308	5.1
58.95187	5.3
61.80936	5.9
76.29137	6.6
76.36568	5.8
81.07072	5.8
82.66620	5.8
89.06007	8.7
122.76624	7.1
150.96153	6.9
163.81111	6.7
333.20316	9.1
360.27136	8.0
452.22772	8.2
605.73419	9.5
645.47095	100.0
658.68481	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	645.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61432	2.1
59.11458	2.3
71.66001	2.3
87.43372	2.4
93.04950	2.6
133.08592	3.5
195.01309	2.8
580.52667	3.4
645.48944	100.0
645.60046	4.8
658.07263	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	646.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00371	4.9
70.06591	12.6
81.63853	5.2
86.58609	5.1
91.05490	9.4
137.06024	10.8
153.01802	68.1
166.00923	22.5
168.02377	37.1
202.07115	6.9
230.24475	6.8
237.84616	6.4
251.90666	7.2
267.58795	7.3
279.54770	6.3
285.04095	18.9
286.04626	15.3
311.05566	9.4
317.01047	29.6
318.02066	18.7
453.06400	100.0
470.08954	99.5
478.97409	7.5
646.12091	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	647.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
75.12753	24.3
78.92884	24.2
85.55074	24.1
91.07803	25.2
95.47990	23.0
106.06550	33.1
115.59869	24.0
120.08079	32.7
136.07582	33.7
146.06042	84.6
148.07565	86.5
152.07095	33.6
166.08661	100.0
229.53159	28.7
297.12433	68.9
446.20856	62.8
464.21719	50.2
465.14307	33.0
472.18521	91.2
490.18463	31.8
506.57156	31.8
629.25848	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43942	9.1
54.22460	8.9
63.06313	9.4
66.76862	11.0
80.09373	10.0
89.71573	9.9
89.73026	10.7
106.47809	12.1
108.08084	27.8
109.56741	10.4
121.34331	11.4
130.95750	13.4
146.06012	100.0
149.33707	11.8
150.09187	19.4
164.01395	11.9
218.36810	12.4
283.14386	37.4
285.12262	19.8
303.13260	27.5
448.18658	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	647.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96117	12.9
57.09582	15.2
57.68575	13.2
61.96428	12.0
65.60411	13.5
72.77365	11.6
74.51785	13.1
101.02973	15.2
110.97209	13.4
125.89749	12.8
126.85434	15.7
172.55562	15.1
237.71587	15.2
277.88431	16.5
289.10071	17.0
525.41132	19.1
647.44397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01466	9.2
83.36887	10.1
91.70920	9.0
99.17773	9.3
123.69814	9.9
128.33328	9.9
146.83893	9.8
647.48627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
82.14774	6.2
91.71609	6.1
92.76318	5.3
114.91805	5.8
148.92554	6.5
192.77443	6.8
200.96390	6.3
217.71480	6.3
219.35674	6.9
245.81194	6.9
368.30286	7.1
629.97418	8.3
649.45026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66534	4.9
73.02899	6.6
77.00596	8.4
80.27843	4.2
82.97091	3.9
86.09713	5.1
89.06010	9.9
91.05794	6.6
95.01637	35.0
95.68375	4.0
111.34395	4.6
114.07362	16.1
118.03211	100.0
121.03180	6.6
144.04800	7.8
145.06830	13.1
147.04718	75.2
157.05815	5.6
165.05835	13.8
184.07259	5.6
188.07353	12.8
189.09456	6.0
191.07336	30.7
239.09521	7.4
247.45547	4.8
390.49826	5.3
394.52020	5.4
657.19531	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	650.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44703	2.6
59.68245	3.1
65.39308	2.6
67.25385	3.0
69.15560	3.0
69.22857	3.7
86.09688	5.0
91.05483	3.2
93.07026	7.4
95.04967	4.6
103.05456	5.7
121.06502	100.0
125.00011	4.2
148.38385	3.6
166.12262	94.3
184.07391	10.5
279.06027	3.6
356.80005	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	8.9
69.82426	0.7
71.07361	3.4
73.96564	0.9
81.61537	0.9
81.78124	1.0
86.09174	2.2
86.09698	38.8
98.98463	2.8
104.10728	2.4
109.10184	1.2
114.08833	0.9
124.99995	20.7
165.16051	1.1
166.02625	1.8
168.93398	0.9
172.65007	0.9
184.07330	100.0
211.02815	1.0
256.98590	1.0
305.09357	0.9
403.14194	1.1
559.82849	1.0
650.44348	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	651.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	29.6
61.51737	3.0
69.44505	3.3
83.79301	4.1
84.45827	3.3
100.99205	3.4
110.64175	3.2
118.06566	18.6
123.81086	3.4
124.75786	3.6
132.08083	5.0
144.08128	11.8
146.05998	57.8
159.09222	6.4
170.06044	8.7
174.02190	8.7
188.07057	99.4
192.03252	25.6
205.09726	37.3
206.04828	7.1
215.04904	36.6
217.06563	15.6
224.06013	3.9
229.06596	7.4
233.06013	10.1
235.07483	8.0
243.04512	7.8
256.07639	11.0
258.09189	15.0
261.05402	28.0
279.06659	10.0
284.07028	68.9
302.08182	12.5
325.09586	23.4
389.18747	4.5
402.10837	7.5
430.10474	10.4
447.13351	100.0
471.13358	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	651.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05539	12.2
70.06565	26.1
78.99514	12.2
80.15710	12.3
82.88277	11.7
84.85642	12.3
105.73425	12.8
108.08126	17.0
111.00455	11.6
127.08636	13.1
136.07603	88.5
141.00732	13.9
155.33533	14.5
164.07076	37.4
189.06596	14.8
196.11336	14.2
199.12271	18.1
225.10184	19.0
227.11768	19.0
239.91164	14.4
241.13445	30.9
247.12209	16.2
269.12793	80.1
287.13760	100.0
315.13257	25.4
323.21280	16.5
347.12411	39.4
425.68613	16.4
467.80069	18.9
559.21344	17.8
633.25592	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	651.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21909	14.3
61.34412	15.1
70.06579	82.0
101.60165	20.3
136.07581	59.9
160.07619	23.7
160.65474	23.3
162.05634	18.5
164.07114	40.7
215.36246	17.6
241.13249	32.1
261.22787	22.9
266.54086	19.8
269.12863	77.1
287.13831	100.0
315.13629	30.7
319.12973	51.3
334.69626	20.0
347.12408	39.8
398.72537	23.8
405.98111	21.8
633.25494	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	654.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.9
55.05499	1.7
55.89421	1.4
57.07069	76.2
58.67331	1.7
61.89525	1.4
66.00782	1.3
67.05507	1.9
69.03409	1.7
71.08626	3.1
73.06520	1.9
80.02689	1.5
83.78463	1.7
87.04457	7.8
89.06021	82.5
91.05440	2.0
91.71613	3.9
105.07013	4.0
115.03230	1.7
119.08549	1.9
121.06528	2.4
130.08644	23.4
131.07036	2.5
131.08897	1.9
133.08607	54.9
133.10107	2.8
137.24306	2.0
141.00957	2.1
141.04666	1.9
143.02632	4.8
147.11641	4.3
152.03865	3.9
155.02577	13.3
169.04172	6.8
175.11200	5.4
177.11189	20.9
177.12589	1.7
183.05702	11.7
184.02853	3.8
197.07277	2.6
199.05220	4.6
221.13841	3.0
231.50742	1.7
267.15082	100.0
277.66772	1.7
309.19116	2.2
311.17700	35.7
355.20383	17.4
377.74088	1.9
418.15216	2.9
637.37024	12.1
654.39844	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	654.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19207	9.5
54.67188	9.6
55.05481	8.5
56.46916	9.2
58.06598	58.0
59.07377	12.9
60.08142	14.0
74.49293	9.0
74.51860	8.9
77.32791	8.9
79.23444	8.2
83.49035	9.6
90.32115	10.3
90.53240	11.3
112.85886	9.3
144.10175	27.1
162.29662	13.3
165.89595	10.6
236.14963	100.0
354.22644	10.3
363.68658	12.7
398.25543	13.5
398.63968	12.3
474.37692	14.0
654.49298	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1143
Annotation	Tricetin 7,3'-diglucuronide
Peak:m/z	Relative Intensity
55.03420	0.5
56.10536	0.4
56.47561	0.4
70.06580	0.9
94.01985	1.0
123.00713	0.9
135.04393	1.5
137.02304	1.1
169.01300	3.0
221.42375	0.5
257.04395	0.6
285.03992	0.5
302.04102	0.6
303.04959	100.0
304.05255	2.9
350.18823	0.5
363.75479	0.6
424.22510	0.5
479.08160	26.5
480.08743	0.6
636.27271	0.6
655.10986	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	655.279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	100.0
77.54337	35.6
111.17143	40.0
293.40131	50.5
313.71478	47.1
418.15372	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18280	7.1
56.96342	8.1
56.96562	100.0
61.14920	6.9
82.62604	9.2
97.99200	13.3
102.04446	8.1
107.95119	8.8
139.01811	10.7
149.04845	9.4
170.04807	10.8
172.06538	15.5
188.93646	8.6
197.01228	34.1
215.02310	11.6
218.42320	9.3
220.02840	22.7
241.00243	11.8
243.04591	14.0
246.00737	10.7
253.07513	12.2
268.02542	8.5
276.09183	42.8
280.72031	8.8
287.03391	11.2
294.10098	26.1
297.06348	28.6
302.07059	30.9
316.06705	8.9
317.11871	19.0
320.07986	40.1
343.09641	54.2
362.08987	17.9
377.12570	35.0
395.13815	33.6
413.21207	10.9
418.15387	97.0
496.27206	10.7
520.49823	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	655.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75162	4.3
55.05492	19.8
56.90055	4.7
57.07056	23.8
63.53728	4.6
65.55934	4.0
83.04969	100.0
95.04958	5.7
129.06970	7.5
145.06395	6.6
147.08041	15.7
147.11700	11.1
175.01526	19.0
181.02617	41.9
218.09985	6.6
222.05292	5.0
227.04707	17.9
313.11868	27.4
337.42560	6.0
369.17953	15.5
543.19421	14.5
599.25616	44.2
655.31061	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	655.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04235	3.6
51.97672	3.5
54.08351	3.9
55.05497	20.0
55.85909	3.9
57.07073	26.4
62.22461	4.0
68.66723	4.0
71.04976	4.3
77.49525	4.2
82.87795	4.4
83.04971	100.0
86.97116	4.7
91.05459	6.2
99.62917	3.9
129.06984	10.3
135.22517	5.0
147.08067	7.3
147.11707	12.5
147.85524	4.9
175.01559	33.6
181.02548	43.2
212.64468	5.0
222.05373	7.1
227.04706	16.9
283.10831	5.8
313.11942	36.2
369.18253	12.3
543.19141	23.5
595.78278	5.5
599.25024	30.3
649.84412	5.7
655.31213	21.4
655.41388	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	655.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46153	3.9
55.05505	23.9
57.07061	23.7
71.04947	5.3
83.04971	100.0
90.57790	4.6
90.58372	5.7
91.05447	6.3
93.67155	5.3
95.04922	7.0
128.06197	5.7
147.11739	9.1
147.43253	6.3
175.01495	35.9
181.02599	39.0
227.04660	14.2
249.29004	7.2
313.11993	38.3
369.18210	12.7
543.18915	17.8
599.25110	42.1
610.90454	6.8
655.31653	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	655.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49670	1.5
57.66724	1.2
69.07056	4.3
70.02943	1.5
70.06583	100.0
72.08146	22.4
86.09699	28.2
88.03978	8.0
91.71098	1.7
94.52959	1.2
115.08730	1.6
116.07074	21.0
125.07124	2.6
141.10242	5.6
143.94905	1.4
145.61592	1.6
152.61086	1.4
153.65060	1.4
156.10229	6.4
169.13350	35.5
185.09244	5.1
185.83539	1.7
196.05983	7.6
197.12837	21.9
201.12338	30.3
211.10846	4.7
213.08748	5.0
229.11864	6.4
257.03595	1.9
261.28275	1.5
284.16153	2.4
286.92163	1.9
297.90628	2.0
303.04556	1.9
312.15521	7.5
312.19199	10.0
344.14447	5.5
348.00522	1.8
354.16632	3.9
378.59308	1.7
441.19812	12.7
478.89523	1.7
512.27014	4.5
540.26843	7.9
561.06830	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84270	2.4
55.05491	5.2
57.03420	4.4
57.06804	3.7
57.07069	61.6
58.18470	2.7
59.70643	2.3
61.02904	12.1
64.53194	2.2
67.05493	16.5
67.53928	2.4
67.95815	2.2
68.52656	2.1
69.07052	9.1
71.08618	47.1
71.92993	2.8
73.02915	5.2
81.07047	23.1
83.08595	14.8
85.02897	17.9
85.10167	28.3
91.03960	14.3
91.56499	2.8
95.08600	30.1
97.02889	3.5
97.10162	9.0
109.10162	15.5
113.42031	2.9
123.11708	5.3
127.03909	4.6
137.13194	3.9
145.04935	6.6
147.61258	3.6
163.05974	3.5
180.18439	3.0
239.23756	20.8
256.04956	2.9
257.24695	3.0
269.96133	2.7
282.06772	3.0
313.27332	100.0
331.28479	17.7
425.45764	3.3
667.54480	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	656.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	35.2
57.07059	68.5
58.06601	22.6
60.45524	21.2
67.05482	73.2
71.08626	57.3
78.61721	24.9
79.05468	47.5
81.07040	81.9
83.08588	33.8
85.10165	25.0
91.05485	82.3
91.71674	32.3
93.07056	48.3
95.04994	36.5
95.08614	86.6
105.07004	36.9
109.10099	34.9
109.64614	25.8
112.86797	27.7
119.08576	49.5
131.08606	39.5
156.00008	31.3
236.14938	46.0
313.27258	100.0
315.81564	31.4
368.69971	32.9
369.21259	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	656.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04216	1.3
57.03424	7.2
57.07059	6.6
58.06311	2.9
58.06594	48.6
58.06878	3.7
59.07161	1.4
59.07377	16.8
60.08152	13.5
65.33485	1.6
67.05500	4.5
69.07065	1.9
69.50335	1.4
71.08614	4.5
75.04478	4.1
81.07053	5.9
85.02901	3.2
87.04456	4.7
91.05465	2.6
95.08614	4.3
105.07012	2.6
118.40513	1.8
129.51483	1.7
143.05229	1.6
144.10199	23.1
162.11287	6.3
236.14900	100.0
246.09142	1.8
246.71445	1.9
298.62271	2.4
317.58450	2.0
400.27127	6.5
418.28275	2.3
431.13791	2.2
456.37076	6.4
474.37854	14.7
603.97723	1.9
638.49847	8.3
656.50916	73.5
657.50946	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	657.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96061	31.9
86.09693	39.6
100.00387	42.7
100.30087	37.3
116.76659	42.8
119.31841	36.6
123.47016	38.7
178.42183	36.6
193.81735	38.5
223.32338	37.7
285.12546	43.1
305.09186	75.1
339.13910	42.7
355.03003	40.8
525.58447	41.2
607.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61590	6.1
56.08462	5.7
56.33556	6.8
73.20657	6.2
91.71581	13.8
94.06574	19.1
97.34918	7.7
106.06586	17.3
116.04935	7.3
122.06052	11.1
134.06030	40.3
146.06046	22.7
161.15352	8.3
164.07138	9.4
172.04027	29.3
190.05000	17.5
204.06638	23.9
223.08876	7.4
241.09801	11.0
243.11430	33.5
251.11827	8.4
265.09634	11.4
271.10938	14.1
281.18106	7.8
285.12415	37.2
287.10248	17.0
293.09286	10.8
293.14899	10.2
295.10828	8.4
303.13388	87.0
323.10205	41.8
372.12778	12.2
384.13113	8.9
386.14655	16.0
404.16354	14.6
415.15222	29.5
432.15808	10.9
456.15482	10.6
474.16638	52.0
607.22430	14.8
625.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35376	0.4
61.74368	0.3
65.03923	0.7
69.03417	0.5
71.18022	0.3
81.07024	0.7
82.29184	0.3
83.82851	0.3
85.02881	1.6
91.05471	15.2
93.74118	0.4
97.02898	0.8
97.68044	0.4
109.06495	1.6
119.04940	8.3
122.70488	0.7
127.03902	1.3
137.05971	100.0
138.06310	1.3
145.04906	0.6
151.97816	0.4
154.08620	37.5
155.08867	0.4
160.07596	0.8
195.11197	0.5
217.42999	0.4
229.73932	0.4
316.13898	2.2
495.06036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43763	1.5
57.07069	16.0
58.06584	5.5
65.03942	2.2
68.06610	1.5
70.06580	37.0
70.06945	3.3
71.08620	6.2
72.08147	1.6
77.33588	1.6
84.91186	1.6
88.07620	43.3
102.08565	3.4
102.09174	32.0
131.04958	1.7
149.02330	65.4
149.03505	4.3
174.96695	1.7
175.03937	2.2
177.05484	2.6
193.04944	71.9
193.06668	4.0
214.86172	1.8
219.06628	2.4
237.07542	19.1
244.96342	1.7
256.26318	66.6
258.36185	2.0
300.28934	2.3
313.07025	3.4
341.06708	12.1
343.62509	1.9
359.07764	7.0
385.09134	23.7
429.11819	31.4
430.11511	1.8
658.35779	100.0
659.35852	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	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55117	1.1
51.66818	1.1
53.03940	1.9
55.05513	3.7
57.03435	7.1
57.07054	2.0
61.02904	2.8
66.36170	1.2
67.05492	19.8
69.07055	4.2
79.05476	12.6
81.07046	100.0
81.94670	1.3
83.08564	1.9
89.06042	3.3
91.05470	6.2
91.52812	1.4
93.07031	9.2
95.08596	11.4
97.06537	1.6
99.08093	2.6
104.88889	1.7
105.07026	2.5
107.08583	6.5
109.10149	4.7
119.08614	3.3
121.10158	4.0
127.07566	6.9
131.08572	2.6
133.08643	2.7
133.10168	2.7
135.11719	1.7
145.08632	4.5
145.10097	1.7
146.46825	1.7
147.11734	1.9
149.13315	3.3
159.11649	3.6
173.13312	2.3
199.09702	2.4
201.11217	38.9
243.21182	1.7
261.22168	7.9
335.25781	25.0
335.29565	2.8
450.94223	1.5
460.89798	1.7
461.32654	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	658.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	3.2
55.05498	8.6
55.55887	2.2
56.23840	2.2
57.03433	14.4
57.07065	2.6
59.04995	3.3
61.02913	5.7
67.05498	100.0
69.07050	11.8
71.04965	4.5
73.02911	4.1
79.05487	30.8
81.07049	42.2
83.08611	8.4
85.02879	6.9
85.06522	4.9
89.69463	2.2
91.05459	20.6
93.07041	33.9
95.04953	4.4
95.08604	21.6
97.02850	3.2
99.08093	4.6
105.07024	7.6
107.08576	19.0
109.10154	91.9
109.78567	2.7
111.08060	3.1
117.07027	4.1
119.08569	9.5
121.10137	16.6
121.47638	2.7
131.08554	8.0
133.10117	8.1
135.10596	2.4
135.11699	14.9
137.09592	3.8
145.10158	6.9
149.09825	2.7
155.10728	9.2
159.11728	4.6
173.11740	17.1
173.13187	5.1
215.18007	14.6
229.14362	72.1
233.19038	17.9
307.22626	50.6
444.58252	3.4
461.32632	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	658.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03072	2.9
57.03423	4.8
57.07061	7.0
58.06594	47.3
59.07364	11.8
60.08152	16.3
67.05482	4.9
71.05003	3.6
71.08616	8.5
75.04472	5.7
87.04460	9.9
89.06020	42.5
91.71046	5.3
93.07048	6.6
95.08582	7.1
99.87751	3.6
124.19440	3.8
130.08646	11.3
131.07027	5.1
133.08623	31.8
136.25922	3.9
144.10205	14.0
151.39540	4.2
177.11232	9.9
184.76068	4.3
236.14931	100.0
420.26495	7.2
456.36554	10.5
459.28278	9.2
474.37656	12.2
658.48938	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65506	4.3
55.30184	4.1
57.07068	8.8
57.97947	4.2
58.06592	55.0
59.07377	13.5
60.08171	15.6
67.05503	6.4
69.07048	5.0
70.40455	4.2
71.08629	6.9
75.04482	5.3
80.82918	4.5
85.02889	4.7
87.04440	5.3
89.06000	23.6
93.41927	4.8
119.38299	4.4
130.08643	9.0
133.08630	18.0
144.10205	29.4
151.23654	5.0
162.11234	7.3
200.85733	6.0
220.39069	5.5
236.14906	100.0
247.17058	4.9
395.56488	6.4
402.28195	5.5
420.29141	7.4
456.36749	7.1
474.37634	18.8
658.52460	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34066	17.5
52.01955	18.8
63.68649	21.3
70.06576	27.9
72.59117	19.8
120.08046	25.8
122.06039	25.4
127.54971	21.5
136.17033	21.9
137.98245	26.2
148.07642	43.1
157.09570	24.5
172.03943	50.7
204.06630	100.0
287.77902	29.0
303.13257	37.1
368.45471	27.0
428.25729	33.1
488.17841	33.9
561.42627	26.5
627.24011	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	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23272	10.9
53.69669	10.0
60.27217	12.0
68.04148	12.6
70.06564	15.6
93.07037	20.2
94.06548	24.0
96.08147	16.6
118.90353	13.9
120.08113	27.6
124.07592	16.3
136.07550	25.2
138.09076	13.3
146.06029	45.5
148.07544	28.0
156.71439	13.4
161.74078	11.9
166.58986	17.6
168.38388	14.0
172.03955	80.1
174.14560	14.0
187.11143	15.4
190.05020	30.6
204.06503	98.1
213.10213	16.7
227.11932	20.8
239.47258	15.6
243.11229	33.3
279.11212	26.2
281.12909	24.4
283.10666	17.5
285.12271	32.6
287.10287	23.1
297.12268	18.9
303.13474	48.5
307.10880	24.0
325.11832	28.6
339.13391	68.3
340.14249	17.1
381.71307	16.5
386.14951	23.9
415.15540	23.1
474.16226	28.5
581.23608	18.2
609.23358	100.0
627.24359	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	659.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29046	19.2
56.08438	20.0
61.45063	22.4
67.23173	21.9
72.05630	24.5
75.35419	22.5
85.64466	21.0
85.92932	29.6
99.42340	23.7
111.60138	30.5
117.85213	23.9
118.06590	26.1
130.89438	25.8
136.07610	27.2
146.06033	100.0
152.07066	34.2
166.08711	47.1
239.11690	30.1
297.12262	41.2
353.36819	29.4
428.15707	29.0
442.17444	37.7
444.19244	55.0
470.17294	61.5
584.12128	30.0
599.24774	36.0
627.23895	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41613	13.6
62.94033	12.4
65.97886	11.6
68.34491	13.3
79.66861	16.5
120.04482	18.3
120.08141	21.6
133.31581	15.2
134.06026	20.0
136.09154	15.4
146.06039	30.0
172.03915	62.5
178.86871	16.8
190.04968	21.8
204.06580	43.6
243.11342	27.8
279.11261	73.9
285.12491	30.6
286.24472	15.6
287.10205	28.2
303.13342	64.0
307.10672	28.7
311.13983	29.7
325.11813	66.9
339.13379	32.0
609.23505	100.0
627.24127	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53030	6.7
70.06588	9.7
91.05495	13.0
94.06557	15.3
106.06553	9.8
108.08101	8.5
116.04971	8.4
118.06556	18.8
120.04471	8.9
120.08121	22.0
122.06049	8.3
136.07574	10.8
144.80276	8.3
146.05998	60.2
148.07558	24.2
148.97531	7.3
150.09113	8.7
152.07065	13.1
166.08699	18.8
172.03925	33.3
185.10852	9.8
187.65663	6.4
190.05028	24.2
197.10693	9.4
204.06563	27.5
211.12463	7.9
212.09428	9.8
213.10307	10.8
215.06488	7.0
219.73932	6.5
223.12321	11.5
225.10197	10.9
235.08775	9.8
237.10191	9.9
238.11024	8.4
239.11864	15.0
243.11279	35.5
249.10210	19.2
250.10924	8.0
251.08337	6.8
251.11832	23.3
253.13306	7.7
255.11194	18.2
264.08942	13.5
264.12683	6.8
265.09839	12.5
269.09207	9.3
277.09772	8.5
279.11200	39.8
281.12830	18.3
282.42950	7.7
283.10892	14.0
285.12411	22.4
287.10187	14.8
297.12247	16.5
303.13425	17.1
307.10684	35.4
309.12415	12.2
311.13879	13.3
323.10101	12.0
325.11807	23.0
328.14371	10.7
337.11932	10.0
339.13467	18.8
340.14407	9.2
342.15842	10.1
369.14529	10.2
404.15891	8.7
428.15906	9.1
444.19614	9.9
470.16925	25.4
474.16690	10.5
488.18149	8.2
502.19717	14.5
567.21899	11.0
581.23547	17.7
591.22351	21.9
609.23450	100.0
623.24542	11.3
627.24701	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42487	1.7
52.00545	2.0
61.46056	1.8
75.55820	1.9
79.05489	2.9
80.05037	2.8
91.05462	5.1
91.70937	3.9
92.04999	3.0
93.07047	8.1
94.06576	8.3
106.06568	5.6
107.07326	4.1
108.04455	2.3
108.08118	12.7
116.05029	2.9
118.06528	4.4
120.04469	9.8
120.08095	14.4
122.05945	2.7
122.09682	2.9
130.06505	3.0
134.06000	5.8
136.07593	5.1
138.05479	2.5
144.04437	6.0
144.08076	2.3
146.06012	26.6
148.07538	17.8
150.09164	8.4
158.09697	2.4
160.07614	7.2
172.03946	13.7
185.10736	5.3
190.04933	12.8
195.09039	2.8
196.10078	3.4
199.08548	2.3
204.06561	17.4
208.10002	3.8
209.10881	3.5
211.08546	3.1
213.10213	10.9
215.11917	3.6
221.10722	3.4
222.07881	3.3
223.08649	2.6
223.12361	3.7
225.10266	6.9
226.08626	4.2
227.11873	5.6
235.08685	4.6
236.09499	8.8
237.10246	5.6
239.11845	6.6
241.09731	8.9
243.11304	19.7
249.10402	3.1
251.08391	3.0
251.11804	8.8
253.09822	2.6
253.13428	8.9
255.11224	10.3
264.08792	10.9
265.09616	5.2
269.09280	8.4
271.10727	5.5
279.11249	18.4
281.12784	25.1
283.10846	7.0
285.12302	25.1
287.10168	24.3
289.11899	2.8
295.10748	5.0
297.12305	4.9
303.13425	18.1
307.10709	32.1
309.12439	5.3
311.13962	10.1
323.10162	4.0
325.11807	23.9
337.12186	2.8
339.13345	24.4
340.14777	2.7
342.12448	3.1
347.16214	3.1
384.13220	2.9
406.53177	2.6
415.15140	4.7
416.16324	3.6
432.15372	3.8
444.15616	2.9
462.16141	2.9
517.48291	2.5
537.25018	3.0
539.22638	3.0
547.23596	3.4
553.24384	3.8
563.22821	5.5
565.24292	8.2
567.22064	10.8
581.23694	16.4
591.22205	16.2
595.25317	4.4
609.23352	100.0
610.23846	4.6
623.25006	13.8
627.24420	3.0
641.26318	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	659.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29046	19.2
56.08438	20.0
61.45063	22.4
67.23173	21.9
72.05630	24.5
75.35419	22.5
85.64466	21.0
85.92932	29.6
99.42340	23.7
111.60138	30.5
117.85213	23.9
118.06590	26.1
130.89438	25.8
136.07610	27.2
146.06033	100.0
152.07066	34.2
166.08711	47.1
239.11690	30.1
297.12262	41.2
353.36819	29.4
428.15707	29.0
442.17444	37.7
444.19244	55.0
470.17294	61.5
584.12128	30.0
599.24774	36.0
627.23895	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3528
Annotation	Dianthin B
Peak:m/z	Relative Intensity
53.23761	2.2
57.03421	2.8
63.88720	1.8
64.38866	2.3
67.05499	9.7
75.30672	2.5
81.07051	5.4
83.01073	5.2
87.47507	2.2
89.66971	2.2
93.07023	4.5
94.72858	2.2
109.10133	6.0
110.17937	2.2
111.04214	6.1
112.04948	2.6
120.52192	2.1
127.03680	9.7
155.06831	4.6
156.40697	2.7
161.04886	2.5
171.06267	3.7
178.29501	2.4
180.20534	2.5
187.01190	2.8
199.09366	5.7
200.24889	2.7
215.08923	3.1
229.14346	3.6
659.35333	100.0
660.35663	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	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09340	9.7
70.06559	20.2
72.24948	9.9
94.06579	12.9
100.85596	13.1
129.25146	15.2
134.06009	33.1
136.07565	19.4
138.05624	14.2
162.05467	96.7
164.07024	30.2
166.05074	21.6
175.70294	16.3
178.05025	29.5
267.11301	89.8
269.13016	19.0
280.08893	14.5
285.12305	100.0
339.09686	73.8
341.11417	24.1
385.10086	19.1
420.19531	20.5
581.23004	27.0
590.91486	15.3
656.44305	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70607	4.8
54.18756	4.8
54.21189	5.2
62.40584	5.9
64.74881	5.8
65.89869	5.7
79.05487	7.7
80.46566	7.3
91.05454	8.0
92.70067	6.2
93.07011	7.5
94.98656	6.4
106.06568	15.2
106.96674	6.6
108.08109	13.4
118.96797	6.4
120.08094	28.0
120.53696	6.6
122.06035	14.1
136.07591	9.2
138.05354	7.2
146.05939	15.9
148.07520	36.5
150.09207	13.8
152.07085	19.0
161.20685	7.4
164.07101	7.5
166.08615	34.3
172.03973	25.2
190.04988	11.9
204.06596	44.4
211.12430	8.1
213.99905	7.1
237.10323	14.1
239.11781	10.3
249.10240	11.6
251.11754	22.7
252.12672	12.3
253.13438	14.5
260.61859	7.2
263.11801	11.2
265.09482	10.4
267.11179	7.1
279.11383	11.7
281.12842	9.4
293.12881	11.9
296.11758	9.1
297.12259	17.8
307.10806	11.2
309.12363	25.3
324.10965	10.9
337.11838	17.3
339.13367	22.8
356.17874	11.2
385.18045	9.6
432.19089	10.0
444.19376	33.7
446.20847	26.9
472.18744	51.6
481.84982	8.5
504.21295	100.0
611.25037	19.0
629.25806	30.4
661.28845	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35314	4.6
59.79555	5.1
93.07047	9.5
94.06558	6.6
100.95153	5.4
106.06571	10.5
108.08146	16.1
118.06568	9.8
120.04417	10.6
120.08122	23.9
122.06056	15.6
122.09619	7.1
136.07573	12.0
146.06024	36.4
148.07587	43.6
150.09175	12.9
152.07057	42.3
152.08133	6.9
164.07086	10.7
166.08646	41.2
172.03810	15.1
190.05074	10.4
198.11557	12.3
204.06589	19.7
209.10759	9.2
211.12331	9.4
223.08621	6.9
225.10170	12.8
225.43719	7.2
237.10249	21.9
238.10907	15.8
239.11761	19.3
249.10168	9.3
250.10985	10.3
251.11858	24.5
253.13365	17.4
255.11182	8.1
262.10846	8.6
263.11697	8.5
265.09717	16.8
266.10538	10.0
267.11398	10.8
271.14304	10.8
276.08633	8.3
279.11325	36.5
280.11948	8.8
281.12897	31.6
284.11591	10.5
285.12421	10.8
293.12747	9.8
297.12384	14.8
298.13104	15.6
307.10831	26.8
309.12399	23.3
321.40384	7.5
337.11838	14.7
339.13235	14.0
370.14932	7.8
372.17090	13.8
384.17316	10.0
386.18857	8.3
428.20197	11.3
430.17487	11.5
431.18188	7.7
432.18973	13.4
444.19370	47.5
446.20807	46.4
458.16397	9.7
472.18713	80.7
474.20139	9.4
504.21335	49.1
569.23883	27.1
583.24164	9.1
593.23102	9.3
601.26459	24.6
611.24963	37.0
629.26038	100.0
643.27502	9.9
661.28589	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73570	7.0
61.28316	7.2
63.60616	6.5
69.63444	8.1
77.93926	6.9
78.08410	7.4
87.25242	8.5
120.08093	20.1
124.56711	8.0
131.14322	9.1
136.07533	15.5
146.06076	10.7
148.07607	12.8
152.07007	12.4
164.06984	12.1
166.08615	82.4
172.03915	13.7
190.05099	10.1
204.06490	10.8
253.13396	9.8
279.11292	20.3
280.10034	9.8
281.12811	19.1
297.12247	10.9
307.10767	12.6
309.12347	29.0
325.11581	12.2
339.13406	13.4
342.15854	16.6
370.15732	13.9
416.19775	20.5
444.19183	81.3
446.20767	29.2
472.18777	61.8
504.21243	100.0
629.25897	20.7
661.28760	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56780	11.0
58.19292	10.3
58.61364	9.8
58.80535	10.3
66.29605	10.6
94.06563	17.0
106.06542	29.8
108.08106	22.1
113.64685	12.0
120.08107	13.0
122.06031	29.1
124.83604	12.0
134.06020	57.0
136.07588	38.4
146.05968	15.2
148.07536	25.4
152.07060	51.7
155.18820	13.0
162.05511	24.8
163.68388	12.4
164.07007	33.0
166.08650	46.7
172.03960	23.9
176.57681	14.7
190.05006	25.4
204.06601	18.4
225.10196	23.5
238.11082	17.4
239.11914	19.6
249.10265	17.8
251.11926	22.0
256.11984	21.2
263.11856	26.0
265.09766	17.1
267.11362	39.7
271.14197	18.7
279.11279	47.6
280.12170	18.9
285.12311	51.6
291.11093	26.0
297.12314	61.4
309.12445	30.2
319.10895	19.5
323.10406	23.1
327.13583	17.3
332.32962	15.0
337.11838	59.4
339.13593	16.4
358.39157	19.8
393.64169	16.8
430.17368	20.2
448.18341	62.3
460.18768	38.1
474.16556	20.5
480.35742	16.2
488.18121	80.5
490.19864	19.6
593.23834	27.4
611.24768	100.0
643.27588	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65151	4.6
57.07950	5.2
58.83167	6.3
73.30044	5.2
74.36866	6.2
75.52075	5.1
93.05788	5.2
106.06556	7.3
107.07355	14.9
108.08122	51.1
120.04478	7.0
122.09676	33.4
144.04486	12.7
146.06006	12.7
150.09131	59.9
160.03879	6.3
160.07515	7.0
172.03937	44.4
172.57678	8.4
175.35564	6.7
190.05000	29.8
204.06615	55.5
243.11284	34.5
281.12827	14.1
283.10709	12.5
285.12296	64.5
303.13443	70.3
309.12363	41.1
311.13809	12.3
327.13608	10.4
341.15414	7.5
386.15173	16.0
414.14432	22.1
415.15308	33.7
432.15421	10.8
456.15332	13.1
462.16672	9.1
474.16605	72.9
506.18933	16.2
611.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00980	5.0
56.10666	5.4
59.69216	5.0
60.15989	5.3
67.89635	5.9
74.30237	6.9
89.03861	6.4
94.06578	7.5
107.07355	18.0
108.08098	51.0
122.06077	11.1
122.09685	40.9
129.36830	6.6
144.04498	17.2
146.06062	14.6
149.69090	7.8
150.09154	66.1
160.03891	9.3
172.03940	35.6
174.05685	10.1
176.07121	8.6
180.22098	7.0
190.04964	34.0
203.20132	6.6
204.06519	51.4
237.10074	7.2
243.11235	33.5
264.08795	9.1
273.12329	7.7
281.12936	18.1
285.12372	50.4
297.12485	10.4
301.12033	11.1
303.13361	66.3
309.12250	43.9
327.13428	21.5
373.14368	10.0
386.14899	13.1
414.14630	17.1
415.15356	28.3
432.15720	26.1
474.16580	70.7
569.24341	9.0
593.24231	10.5
611.24915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23429	2.5
53.09367	2.5
53.88372	2.6
56.05902	2.4
62.35032	2.5
73.01683	2.4
74.04195	2.4
80.30065	2.6
81.48372	2.6
82.17368	2.5
88.08659	2.7
217.68585	3.2
288.65271	2.9
299.24335	3.3
301.54944	3.1
399.67160	3.4
565.11340	3.4
619.87372	3.6
661.46375	100.0
662.45813	5.1
690.06842	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	661.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23990	4.2
57.07061	9.6
64.38515	4.4
205.63574	5.9
349.19830	37.0
405.22385	20.2
661.46515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99271	5.8
57.07054	8.6
57.09661	5.5
68.19273	6.3
70.24963	5.8
88.58029	6.6
90.98093	7.0
95.08612	7.8
98.43527	6.3
131.39058	6.9
164.62575	7.9
229.60036	9.0
289.24905	9.8
342.38251	8.7
349.20004	11.0
480.47104	8.9
661.46375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
77.28365	9.1
86.89347	8.7
139.19489	9.4
304.47128	11.6
661.46460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70081	55.1
56.96547	44.8
62.90458	57.3
63.95063	49.0
76.00166	51.5
143.50943	58.3
144.36176	55.3
150.48073	61.2
156.80728	56.5
158.01135	56.3
159.22806	51.6
175.05394	60.8
267.23230	68.3
346.03976	100.0
387.06680	97.6
396.18500	95.7
540.37274	72.8
662.24335	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25298	2.7
58.46930	3.4
60.08144	5.6
61.80341	2.4
62.59673	2.8
63.09592	2.7
65.72932	3.2
65.89193	2.5
68.07999	2.6
71.07398	4.4
75.92297	3.6
76.89034	3.5
82.92014	3.2
86.09689	38.8
86.47607	3.2
87.04469	5.9
110.02470	3.0
124.99974	22.3
157.28360	3.9
184.05733	6.6
184.07330	100.0
214.38466	4.1
222.07268	4.0
305.06198	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11182	5.3
63.93177	5.8
70.06580	17.4
86.09688	7.0
86.93022	7.0
94.06574	9.0
103.63336	7.4
108.08136	9.1
109.40887	7.1
112.47214	7.5
113.83454	7.6
120.08089	11.9
126.27358	7.9
131.59630	7.3
136.11372	8.6
146.06001	100.0
196.41512	8.7
237.10298	9.9
243.11305	11.0
243.87474	7.8
250.73343	8.1
281.12799	97.2
285.12323	11.2
303.13193	10.5
334.33804	10.4
334.52841	9.2
356.12576	9.1
469.49008	8.6
548.01373	9.4
565.24023	13.6
583.25085	25.6
609.23486	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	663.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70233	6.5
51.50053	6.7
52.29280	5.7
58.44251	6.0
58.92605	6.3
68.99554	6.8
78.87633	6.3
90.09583	6.9
101.60394	7.8
107.07314	12.7
108.08115	23.3
112.62394	6.6
118.32343	7.8
122.09667	24.5
136.07619	9.8
146.06058	13.4
148.07516	11.4
150.09131	100.0
152.07040	13.3
156.58215	7.7
161.93028	7.6
166.08635	48.7
172.03891	12.3
190.05061	14.8
204.06630	14.1
246.07562	8.5
251.11819	8.9
252.12392	8.7
263.11844	22.3
272.15231	8.8
279.11212	9.0
281.12918	18.3
285.12427	9.9
291.11252	22.1
293.12863	12.9
297.12274	14.2
299.13870	19.2
309.12454	26.9
325.11816	16.6
337.11780	43.8
407.24020	8.3
419.45898	8.9
430.21365	9.8
448.22574	23.1
466.06705	9.1
474.20172	47.0
506.22736	14.9
595.24951	11.5
631.27502	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	663.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86302	2.2
53.03934	2.5
54.68829	3.1
57.03407	2.3
61.02901	8.1
61.09700	2.4
65.28024	2.2
67.05489	15.2
69.03413	8.7
70.45076	2.7
73.02907	10.1
78.83311	2.3
79.05504	6.8
81.03402	3.8
81.07016	6.2
85.02919	13.8
89.34264	2.5
91.03940	7.1
91.05502	3.3
93.07040	6.7
97.02883	7.5
101.02403	3.0
105.96836	2.8
107.08576	2.7
109.02876	2.7
109.10149	9.7
119.08578	3.6
119.62408	2.7
121.10136	2.8
121.11514	2.7
123.45255	3.0
127.03955	3.4
170.35500	2.9
200.24599	3.0
220.55811	3.6
243.08485	4.7
413.17862	6.2
491.26202	12.3
663.37122	100.0
664.37549	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	663.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84087	3.0
57.03424	4.1
59.03318	3.1
61.02908	7.4
61.65860	3.3
64.00319	3.7
66.83092	3.6
67.05495	10.8
67.46553	3.7
69.03423	8.1
70.59307	3.6
73.02892	6.0
79.05482	8.5
81.07042	8.5
83.08601	4.8
85.02892	8.1
91.03953	9.4
91.05499	3.9
93.07059	9.6
96.53904	3.4
96.78421	3.5
97.02859	7.2
99.58945	3.5
101.02357	3.9
109.10146	9.9
192.70464	5.4
243.08368	5.1
247.62474	3.9
283.40237	5.6
390.55902	4.2
437.05869	5.7
491.26190	11.7
514.49359	4.6
663.36963	100.0
685.79431	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	663.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
57.07081	6.4
59.19485	3.0
59.65723	2.9
61.02924	7.4
67.05486	5.1
69.03437	4.8
73.79057	3.2
79.05489	3.4
79.69218	3.1
81.07040	25.5
85.02906	6.8
87.04458	52.7
91.03984	6.3
91.92289	3.4
93.07047	4.5
95.08588	5.8
97.02934	6.0
111.63834	3.6
131.07129	4.0
276.66742	4.6
373.82458	4.4
385.14905	12.0
485.78629	4.2
524.22516	4.0
663.37006	100.0
664.37579	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	663.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	9.3
57.14907	5.5
60.53708	4.8
61.18330	4.9
66.46120	5.7
72.34718	5.8
94.09161	4.8
95.59258	5.6
100.23969	6.2
114.66131	6.5
121.40632	5.7
148.19540	5.9
183.74380	6.1
184.52625	6.3
221.26378	6.8
235.45036	7.3
289.68808	6.7
296.91187	7.1
509.03644	7.0
551.25189	7.6
607.38617	7.1
663.42297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03710	6.8
68.82227	6.3
70.38600	6.7
111.69213	7.6
227.97783	8.5
663.44440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00253	11.0
55.05495	52.0
55.05742	13.2
57.07061	20.3
59.20333	11.1
63.19496	12.8
67.05477	38.1
68.62557	12.4
69.07057	54.0
71.57159	12.3
73.06533	12.8
81.07037	42.9
83.08614	40.9
86.09706	21.5
95.08599	36.3
107.08532	14.5
117.86588	14.0
143.58887	16.5
149.13264	14.8
167.14349	17.7
184.07364	40.7
209.35931	15.6
241.17964	38.0
422.78720	15.0
450.70969	15.6
523.43719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56957	15.0
57.07071	100.0
61.65613	12.1
66.68815	12.9
69.20647	16.3
78.71201	14.0
80.24062	16.2
87.04456	30.3
89.06021	89.9
99.18517	17.5
100.56509	16.6
121.06467	35.4
124.12760	13.4
126.53349	13.8
128.15601	14.9
130.08652	30.1
133.08600	57.6
233.19049	23.5
277.21606	30.6
504.50098	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	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	67.0
67.05502	47.5
69.07049	28.3
71.08607	36.4
81.07048	32.0
85.10159	16.5
91.05461	42.9
95.08606	26.7
105.07046	21.0
117.07002	46.3
119.08495	19.7
124.54228	27.1
125.04119	21.8
150.39587	22.5
156.57811	20.4
169.10149	20.9
223.10446	21.5
296.23587	26.7
303.83618	24.9
313.27219	100.0
443.24121	21.3
447.02573	24.6
532.75366	22.9
544.36432	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14896	2.6
55.01540	3.1
64.88828	2.9
85.02910	3.8
87.36420	3.5
108.88447	4.0
114.27673	3.2
118.11517	3.3
121.02901	5.8
123.34935	3.5
133.44266	3.5
136.07823	3.1
169.06471	5.8
197.05992	23.7
198.06691	24.8
199.07576	6.9
213.05476	7.3
225.05537	11.5
230.05688	30.1
243.06607	5.4
245.98137	3.9
255.06583	17.1
265.96475	4.7
269.82938	4.2
275.06204	3.9
297.08676	4.1
320.70920	4.8
332.40417	5.2
424.58435	4.1
467.11212	100.0
468.11566	5.7
485.12192	55.1
532.06097	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	665.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15153	8.8
65.20425	9.5
65.92145	11.7
70.06571	19.2
75.04367	8.9
86.09672	13.2
91.05459	11.6
94.06561	20.8
95.69345	10.5
100.59435	11.4
103.03970	13.9
106.06538	18.0
108.08076	11.1
109.86371	12.0
117.63035	10.3
120.08089	26.4
122.05994	16.5
136.07597	19.3
146.06027	100.0
148.07562	54.4
150.90698	10.3
152.07036	16.4
156.86481	10.6
158.06012	17.2
164.07088	16.8
166.08606	85.9
189.88593	11.3
211.12297	23.9
224.56027	11.7
225.10248	15.5
235.08598	11.6
237.10336	13.6
239.11746	20.0
251.11893	17.6
253.13422	26.4
255.11284	13.9
265.13309	18.5
279.11465	19.6
281.12839	39.2
283.10834	13.3
293.12704	17.2
297.12302	39.7
298.12982	46.8
325.11829	21.0
446.20697	92.7
464.21710	34.5
472.18594	45.9
490.19843	31.1
547.24866	12.9
629.25861	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	666.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30937	4.8
67.40841	5.7
70.06557	6.4
77.91523	5.5
78.30733	5.9
78.56159	5.3
84.04449	5.2
84.24211	5.0
99.45338	6.5
107.04953	10.5
110.72313	6.0
121.06525	19.7
123.04385	6.6
127.03262	88.9
143.02742	56.3
197.06035	8.8
199.07542	8.3
208.28067	6.2
209.05974	8.3
210.06683	9.0
239.08792	7.9
300.81595	7.9
301.08551	8.2
302.09390	11.3
313.08792	9.9
315.09921	30.0
331.09534	6.8
409.14047	37.2
437.13892	63.4
438.14371	9.0
563.16425	20.1
579.15851	54.9
607.06323	8.0
607.15344	100.0
635.47241	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	666.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79453	5.8
59.62222	6.3
60.64352	6.4
66.57671	7.3
83.43246	7.2
98.61830	7.9
101.89988	7.6
102.60200	7.7
107.04932	18.4
118.84364	9.1
121.06519	14.8
123.04428	10.1
127.03249	97.0
136.44014	8.0
143.02768	68.6
157.06326	8.8
160.94957	8.8
188.34145	7.5
199.07513	9.8
210.06642	11.2
214.42450	8.0
231.40274	8.8
295.07681	9.4
302.09311	11.1
315.10196	29.8
327.09750	9.7
331.09647	9.9
373.04404	8.5
409.14291	38.1
437.13763	81.0
563.15997	34.3
579.15979	77.2
607.15234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70951	5.0
55.05505	9.7
61.02905	23.6
67.05492	83.6
69.07046	9.2
73.02888	8.7
79.03407	6.0
79.05471	42.6
81.07050	79.1
83.08641	6.2
85.02900	52.2
85.06531	12.2
91.03951	31.2
91.05463	33.5
93.07047	51.4
95.04970	8.3
95.08598	56.7
97.02849	19.8
99.08070	9.4
105.07026	24.3
107.08588	36.7
109.10141	27.0
117.06990	14.4
119.08575	21.3
121.10149	50.1
123.11687	16.0
127.03911	7.9
127.80851	7.2
131.08562	30.1
133.10106	31.2
135.11690	46.0
145.04878	14.9
145.10123	20.0
147.11655	18.7
149.13290	29.2
159.11690	24.1
163.05978	20.1
173.13309	23.1
215.17870	58.3
223.82391	7.6
233.18994	100.0
307.22672	28.2
310.80383	7.8
314.51633	7.5
325.23718	36.8
694.07751	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	666.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	12.5
61.02919	39.0
67.05486	51.3
79.05479	28.6
81.07046	58.7
85.02878	55.3
91.03950	40.6
91.05474	17.4
93.07029	33.2
95.08585	39.9
97.02893	23.6
107.08595	47.0
109.10144	19.0
121.10149	43.4
123.11642	13.9
131.08577	25.1
133.10107	29.9
134.35306	13.5
135.11710	42.6
145.10123	19.8
149.13234	28.3
159.11696	18.8
179.53659	12.4
207.95377	12.8
215.17905	61.3
216.65187	13.7
222.66185	14.2
233.18991	100.0
325.23703	32.5
349.28659	15.5
406.16830	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	666.4338
Annotation	PAz-PC
Peak:m/z	Relative Intensity
56.05008	1.1
60.08157	8.5
71.07365	4.6
86.09696	45.1
98.98437	2.9
104.10724	3.2
124.99996	22.6
135.78877	0.9
146.68713	0.7
166.02670	0.8
180.19376	0.7
184.07327	100.0
213.44719	0.7
249.85748	0.6
298.85617	0.7
562.41833	1.0
666.43384	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	666.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49516	2.9
60.08170	11.2
66.66946	2.5
71.07368	3.8
73.12942	2.8
75.02147	2.9
78.26585	3.5
86.09706	33.2
117.92747	3.4
125.00010	23.2
184.07338	100.0
282.61230	4.1
340.25928	3.5
666.46350	4.5
696.00580	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	666.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29895	3.6
54.23331	3.5
55.05523	7.1
57.07074	16.1
60.05436	4.2
66.20097	3.7
67.63728	3.8
67.66365	4.0
69.07072	9.8
71.08644	7.8
85.10175	5.7
89.06036	7.9
133.08653	9.5
135.06120	4.5
149.64207	4.6
203.95039	4.4
367.35703	100.0
600.71185	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	668.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64978	6.9
57.07073	54.5
59.04994	11.5
60.09655	6.9
86.26396	7.8
87.04494	7.7
89.06058	11.5
91.71650	17.1
103.03932	100.0
103.07626	9.2
113.47701	7.5
122.45317	9.6
142.80931	8.1
143.05072	8.8
155.02655	17.9
267.15048	62.3
311.17862	29.0
343.40631	8.9
355.20554	16.5
359.77884	9.2
682.92590	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	669.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50417	3.7
57.15763	3.7
59.27149	4.4
65.98705	3.7
120.04481	10.1
120.08145	7.2
126.51091	4.7
128.73128	5.6
138.08952	4.7
148.07552	8.6
157.66740	5.7
162.05525	17.8
229.93280	5.5
246.07623	4.4
255.11310	5.7
265.09778	8.6
267.11282	6.8
283.01190	5.5
283.71497	5.0
289.52133	5.5
305.27542	4.6
311.10242	6.3
456.15601	18.1
591.22418	16.8
601.22546	6.0
619.22076	16.7
637.22894	67.7
651.24139	16.4
669.25391	100.0
689.10663	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	669.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97823	4.6
54.09001	4.8
54.10137	4.6
54.39418	5.0
56.94180	5.1
107.24869	6.5
122.73286	6.9
136.95575	6.1
171.06378	10.6
193.91797	6.7
268.26630	6.3
289.75806	7.7
358.12631	7.1
425.87106	7.4
477.32443	8.7
669.41956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25981	7.2
57.07072	12.7
57.47570	6.3
61.77757	6.3
63.05450	7.9
67.05503	12.2
69.90568	6.9
73.02905	9.1
83.78315	9.0
88.11565	7.2
91.03900	9.1
95.08614	9.1
97.02924	9.3
104.75025	8.5
109.10120	8.1
130.73589	8.6
153.48419	8.0
160.81174	8.2
176.46144	8.9
178.01550	7.9
195.61697	8.2
284.32959	8.9
305.24918	8.2
376.24164	8.7
646.63129	9.1
663.95654	11.3
669.41888	100.0
689.14209	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	669.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21873	12.4
52.59941	11.2
57.79610	11.4
58.05178	11.5
58.55412	13.0
60.77546	12.1
69.61328	11.6
75.38657	12.6
80.01593	14.2
81.61749	14.0
144.59430	18.5
154.31500	15.3
169.14682	15.1
182.12729	14.8
257.65463	15.8
344.73294	17.0
360.25400	17.1
369.03012	15.6
498.48047	18.1
575.52313	18.2
580.91492	18.8
644.58209	17.6
669.41559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88870	8.0
56.05029	9.9
60.04239	10.3
60.04518	100.0
61.02920	11.2
65.80547	9.7
67.05519	9.8
75.67420	8.3
76.60480	11.4
85.02888	28.6
97.02883	15.9
280.67563	10.3
318.30026	49.6
501.72604	11.5
555.00885	11.1
566.53333	11.8
670.40167	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	670.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57884	2.0
91.05473	5.1
95.17991	2.8
96.52041	2.4
119.08577	100.0
152.69487	2.8
337.61237	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	671.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39903	2.0
52.65552	1.9
61.06886	2.3
67.12670	2.2
67.66842	2.2
74.38205	2.2
91.71043	3.5
107.04968	6.1
130.76741	2.5
137.24623	2.4
139.49138	2.8
215.79129	3.0
243.53622	3.0
273.27780	2.7
365.10712	3.2
509.27133	24.0
671.32483	100.0
672.32709	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	672.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07635	3.8
58.99568	19.1
61.02721	4.3
66.84313	4.3
67.05467	7.1
68.69752	4.0
69.07063	7.1
71.49758	5.1
76.02219	96.8
79.05496	5.0
81.07044	14.7
84.04489	11.3
91.05448	7.1
93.07062	8.7
95.08599	11.7
102.18575	4.5
105.07034	9.0
109.10175	5.5
116.01681	29.4
118.93828	4.4
119.08593	11.4
127.03931	6.7
131.08615	9.7
133.10172	8.4
133.91335	5.1
135.08095	6.5
142.03186	10.0
144.01149	15.4
145.10127	8.5
162.02185	43.6
176.19304	5.4
179.04858	100.0
189.15511	5.1
233.05870	8.3
245.82053	4.9
265.90268	5.0
308.09167	32.2
312.23773	5.2
347.22162	38.6
365.52954	5.6
440.24518	10.3
458.21841	6.4
672.32227	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74392	5.2
55.05502	8.2
57.07063	63.3
61.02909	17.5
65.98750	6.2
67.05516	20.9
69.07076	16.5
71.08609	52.3
73.02903	7.9
81.07076	22.9
83.08630	20.4
85.02908	31.3
85.10199	20.8
87.59235	5.8
91.03972	19.6
91.70999	12.0
95.08598	41.6
97.02921	18.0
97.10191	11.3
109.10220	15.5
145.05017	10.0
163.06015	10.1
239.23819	19.9
245.90044	6.5
288.23727	7.8
298.27649	8.7
313.27322	100.0
313.73419	6.6
331.28333	46.7
434.98941	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
54.26814	1.0
55.05499	5.2
57.03428	5.3
57.07070	58.9
57.07354	3.2
57.37652	1.0
61.02921	14.6
66.48599	1.0
67.05502	15.7
68.83633	1.1
69.03414	1.4
69.07057	12.7
71.04973	1.5
71.08624	42.6
71.09020	2.1
73.02905	4.9
75.04465	2.4
79.89156	1.1
81.03419	1.5
81.07048	23.7
83.08611	16.3
85.02894	21.4
85.03375	2.1
85.09650	1.8
85.10170	23.8
89.06047	2.0
91.03947	16.6
95.08601	32.4
97.02880	8.8
97.10148	6.9
109.10142	14.2
111.11701	1.6
112.20658	1.2
123.11702	6.1
127.03924	4.8
137.13272	2.5
145.04974	5.7
163.05998	9.7
207.51532	1.4
221.22696	1.7
228.46992	1.3
230.38066	1.2
239.23648	18.0
241.89742	1.4
257.24792	1.7
298.27487	5.9
313.27341	100.0
314.27713	4.3
331.28384	24.3
348.31369	1.4
475.33066	2.7
487.99771	1.4
630.98834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	32.9
58.06601	7.8
68.25787	4.6
69.07065	7.9
71.08622	26.0
73.06537	9.1
79.11539	4.4
85.10189	14.8
87.04462	8.0
89.06026	100.0
97.10226	5.6
117.09135	10.0
130.08624	25.9
133.08606	65.0
177.11185	15.1
220.60707	5.7
236.14859	6.4
274.91428	5.9
512.26263	6.5
687.82495	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	673.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43015	3.2
54.92909	3.5
56.96566	11.4
58.06588	4.2
58.95923	4.1
62.97531	4.0
70.06599	13.2
85.02902	5.9
95.07434	4.3
98.97605	16.7
106.28687	3.7
107.04940	63.4
107.05595	4.9
110.18067	4.0
116.98656	6.3
118.69009	4.4
139.14673	5.7
140.00206	12.5
142.44725	4.4
158.01436	6.2
176.04723	4.8
207.02007	4.8
235.02722	5.1
238.01682	5.8
242.23914	5.5
253.03967	19.4
271.05032	18.6
276.05316	30.6
294.06497	24.7
301.43680	5.1
317.08231	17.9
397.08041	100.0
438.10727	48.4
453.60184	5.3
509.93048	5.2
678.51019	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	673.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00908	5.7
52.19312	6.9
58.36629	7.5
68.10562	8.1
68.57834	7.8
70.06588	13.6
94.06589	17.4
106.06565	21.2
108.08163	12.5
111.67641	7.5
116.04996	13.7
120.04492	14.1
122.06026	14.8
129.92819	8.2
134.05960	11.5
136.07619	12.5
144.04478	13.0
146.05945	20.8
152.07098	13.4
162.05515	9.8
172.04027	30.2
190.05043	21.6
204.06551	50.1
213.10294	14.5
214.28458	8.5
215.11876	11.8
225.10300	9.4
243.11304	61.4
264.69327	9.9
265.09573	12.5
277.09818	10.7
282.10333	11.0
285.12338	87.2
287.10315	20.4
295.10892	19.3
303.13416	100.0
325.12186	10.9
339.09946	29.8
357.10873	11.4
386.14978	23.7
406.17599	11.3
415.15292	40.1
432.15610	13.5
456.16254	13.8
462.16486	12.3
474.16467	99.2
486.27295	11.0
506.19577	12.0
576.11572	10.6
597.24640	11.6
623.21777	19.8
641.22443	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23024	18.4
51.03740	21.0
68.81203	24.9
70.06557	26.6
74.67879	24.9
90.73111	24.8
95.96219	30.1
137.05939	31.0
147.09177	72.8
160.26749	32.0
161.10735	100.0
172.03926	38.4
204.06580	64.9
322.11877	48.5
335.73889	35.4
385.14294	43.1
459.88663	34.3
567.27771	39.5
633.77460	34.9
655.27972	68.5
673.28229	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14412	11.4
65.03915	14.2
71.27023	13.0
86.11375	13.5
149.02335	100.0
170.84933	15.5
193.04930	75.8
210.63828	15.0
235.73346	14.9
579.04193	16.8
630.09442	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64704	3.3
58.99574	20.0
67.05489	9.5
68.58240	4.7
69.07040	4.1
69.93228	3.9
71.99841	4.3
76.02222	98.7
79.05481	8.6
81.07056	18.0
83.06111	7.0
84.04509	13.8
86.99043	5.5
91.05492	10.3
93.07042	15.8
95.08577	15.0
105.07045	13.2
107.04961	6.2
107.08588	9.5
109.06527	7.9
109.10166	6.7
116.01680	25.9
117.07052	6.4
118.47176	5.8
119.08568	10.5
121.06474	5.4
121.10135	5.3
130.05022	7.0
131.08574	8.6
133.10132	5.4
142.03250	5.7
144.01166	15.5
145.10138	7.2
147.11716	7.5
149.09622	4.9
159.11700	7.9
162.02208	42.6
167.78076	5.3
170.02718	8.3
179.04848	100.0
204.07088	5.4
233.05904	19.6
275.20078	28.8
308.09061	23.7
349.23758	25.2
367.24652	13.1
381.05273	7.1
434.59122	5.6
518.36816	7.1
656.31464	6.3
674.32977	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	674.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69431	6.3
54.77302	7.2
55.17054	7.1
85.27593	8.5
91.70966	8.4
104.10744	12.7
141.37280	8.0
142.73003	9.9
149.02341	74.1
165.99849	7.6
189.47716	8.7
193.04958	100.0
233.55321	9.2
237.07748	20.6
296.09586	9.5
306.25995	10.3
320.80856	10.9
341.06619	20.2
385.09155	31.6
396.55496	10.0
429.11755	87.7
517.14960	8.5
674.35266	40.4
704.62354	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	674.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
57.07058	15.6
60.09752	2.6
70.06580	100.0
71.04970	5.7
83.04967	28.7
86.11048	3.2
88.07621	12.5
89.06028	3.7
111.87254	3.6
117.00983	4.0
124.51248	3.7
134.03668	9.5
140.88458	3.5
143.40184	3.4
147.11674	11.9
159.61763	3.5
161.40759	3.5
181.02608	52.3
208.84645	3.5
222.05334	10.5
224.23756	12.6
242.24744	7.4
306.21890	5.6
369.18201	9.6
540.05902	3.7
674.39423	89.4
675.39526	6.7
675.60059	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	674.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30896	7.4
55.05504	15.0
57.03429	14.6
67.05494	45.4
69.07060	100.0
71.31200	8.0
75.63216	8.6
79.05492	34.8
81.07046	51.5
84.97825	9.7
91.05450	19.9
93.07051	41.4
95.08602	26.0
95.42503	8.9
97.06512	16.7
104.48103	9.2
107.08580	20.8
109.10135	11.7
119.08554	17.3
136.49638	10.7
143.07028	76.6
161.08138	24.8
166.76421	10.7
181.19115	9.2
186.41997	11.1
191.07242	10.7
199.09679	32.4
217.10701	97.5
221.83684	12.5
261.22141	40.3
305.64566	12.0
335.25851	61.7
348.58167	13.8
473.09335	11.3
477.32083	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89330	15.3
53.59133	16.4
83.04968	34.9
90.51665	16.7
91.71622	21.1
98.04141	23.7
99.18580	21.6
107.04952	92.0
110.60357	20.5
128.70207	19.6
147.08174	25.5
149.05983	41.0
149.37444	18.8
163.11191	100.0
199.72632	20.5
219.17459	53.7
267.12384	61.2
323.18539	63.1
376.14273	24.4
415.17703	30.9
495.49426	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	675.236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
70.06575	2.3
71.18028	0.9
72.04491	2.9
76.02209	2.4
78.03772	2.6
79.51086	1.0
80.05011	1.0
84.04494	13.4
87.80497	1.1
88.02188	1.7
91.05482	7.2
102.03746	2.4
105.00080	2.0
114.03745	2.1
119.04935	20.1
122.02714	9.2
130.04993	5.5
131.06403	3.3
132.04788	1.8
142.03206	2.8
142.08682	1.1
147.04402	100.0
148.04765	2.7
149.07411	11.5
184.09644	1.5
188.03789	2.6
218.08089	9.6
227.14159	1.1
233.05905	2.2
251.07022	5.0
261.12747	3.7
295.11053	14.1
379.67148	1.2
407.16580	2.2
416.13074	18.0
527.16211	4.5
528.18030	2.5
545.17212	5.7
616.69501	1.4
675.23529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71264	38.9
70.06577	48.5
76.14135	41.5
85.07031	39.3
135.07063	48.7
179.03069	52.6
179.94398	46.9
185.25856	45.6
191.62199	45.0
217.47517	55.1
243.11125	51.4
287.10007	55.7
297.12054	52.8
303.13474	91.4
347.27246	49.1
474.16629	70.8
607.21173	59.5
625.23163	100.0
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
53.58084	4.8
62.40327	4.5
70.06583	55.4
79.79523	5.0
84.04512	7.2
84.08160	8.5
85.32295	5.2
93.05694	4.8
94.06545	11.1
95.82497	6.2
102.05537	5.1
106.06554	15.6
108.08050	6.6
116.04975	8.2
116.07069	6.2
117.97742	6.4
120.08099	11.8
122.06016	11.4
128.86559	6.0
134.06017	32.3
136.07626	6.6
141.10271	6.5
144.04437	11.2
144.10312	5.6
146.06061	13.3
152.07108	7.2
162.05586	9.0
164.07021	14.7
166.08664	7.6
172.03918	61.6
190.05013	13.5
204.06529	72.4
238.11006	7.6
243.11266	32.7
265.09918	7.2
267.11395	8.8
285.12369	22.8
303.13354	100.0
323.10239	25.7
355.13016	13.4
365.76172	7.0
386.15100	9.3
391.35730	5.9
400.16516	7.2
404.15341	6.4
406.17361	8.6
414.14383	8.1
415.15198	19.2
424.24957	7.1
432.15573	11.5
474.16336	25.7
482.78513	6.9
526.14417	6.8
555.43005	6.5
583.21918	11.5
607.21228	10.2
625.22864	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58109	5.2
63.54905	5.0
84.08144	5.9
86.09724	6.2
91.05475	9.5
99.31066	5.4
101.73207	5.8
104.04977	7.1
106.06586	7.8
118.06544	23.4
120.04488	11.4
122.05980	7.4
126.48340	7.8
136.07602	7.2
144.04359	7.5
146.05989	42.9
172.03957	17.0
190.05042	17.4
200.27046	6.4
204.06589	9.8
213.10143	11.9
213.90965	8.8
221.10666	8.8
243.11267	31.3
249.10208	19.8
253.09827	8.0
277.09735	31.2
279.11249	12.7
283.55368	7.5
285.12433	39.0
287.10406	18.5
293.09140	9.0
303.13412	28.1
305.09091	33.0
307.10895	7.0
313.99164	7.0
323.10071	14.2
337.11783	19.5
358.15323	7.7
414.14194	11.1
432.15604	8.6
474.16113	11.9
563.21863	7.4
565.21259	8.4
579.22211	12.1
589.20483	23.3
603.69257	8.3
607.21960	100.0
621.23279	19.9
625.22412	10.5
639.24194	22.4
650.34467	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62864	3.9
70.06566	9.3
71.27889	4.9
76.01357	3.6
78.95828	4.5
79.05463	3.6
97.84262	4.2
97.84993	3.6
106.06539	9.7
122.06000	5.3
132.04449	14.0
133.46616	4.0
134.06024	10.8
146.06003	14.7
148.07639	10.3
152.07050	26.4
160.03922	100.0
162.05455	28.5
164.07024	4.9
166.08601	37.5
172.03955	13.2
190.04994	10.0
200.80640	5.1
204.06561	14.7
237.10141	6.7
263.08450	5.4
263.11755	12.1
264.08923	5.8
265.09671	9.3
265.13373	5.1
265.40686	4.9
267.11292	7.5
271.10974	5.0
278.10306	5.7
279.11310	9.7
291.11285	7.0
293.09225	40.7
293.12451	8.4
295.10818	4.7
297.12296	10.9
305.15082	6.5
309.12469	12.4
319.07288	8.1
319.10864	5.8
321.08655	4.5
328.14481	5.7
337.11792	20.7
341.15405	4.7
351.09723	12.1
370.15036	5.2
416.15979	6.6
458.17014	11.6
460.18622	7.6
486.16690	39.4
504.17950	6.0
518.18860	21.5
625.22632	8.9
643.23853	17.5
675.24890	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79983	14.3
67.71114	15.8
101.78696	21.6
106.02947	17.8
109.03031	18.5
123.05208	19.0
170.71021	20.8
378.50873	19.9
521.91425	21.5
607.21887	57.0
639.24011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81616	3.9
70.06596	4.7
70.70229	4.5
77.22119	3.9
79.05511	5.6
83.71638	4.1
87.42276	3.9
87.75830	4.2
88.94171	4.5
91.05508	9.8
93.07069	17.9
96.87397	4.4
103.14994	4.2
106.06593	4.3
120.08176	18.6
134.06017	5.0
140.46950	5.2
141.92763	4.7
144.04529	9.5
146.06030	14.9
148.07533	34.1
160.04013	5.3
172.03926	43.1
186.09233	7.7
201.10248	5.5
204.06544	71.5
214.08630	8.6
227.11823	10.6
227.28906	5.5
229.09839	10.0
231.11263	5.1
240.09143	5.6
251.11845	10.2
255.11195	30.7
259.10706	88.0
271.10867	7.6
273.12445	7.4
279.11417	16.1
281.13004	7.1
283.10699	9.0
287.10446	5.6
301.11829	100.0
307.10742	38.6
309.12411	7.7
319.12875	78.6
325.11896	7.7
335.12402	7.4
337.14053	17.8
339.13382	80.1
340.13992	6.6
341.15195	17.3
607.22052	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53883	3.6
59.74205	2.8
70.49533	3.8
74.76832	3.1
75.58911	3.2
94.06566	19.2
106.06540	20.4
108.04482	8.1
116.04964	6.9
120.04472	8.1
122.06034	17.8
134.05997	43.1
136.07582	10.5
144.04440	5.7
146.06004	25.7
150.05484	4.5
162.05457	6.4
164.07048	20.9
168.08148	4.1
172.03903	27.9
174.05513	5.1
190.04947	23.0
199.08754	5.2
204.06610	28.6
209.10670	4.5
209.72252	3.9
210.98689	3.8
211.08499	4.4
212.09410	4.3
213.10237	12.1
215.11743	4.8
223.08478	4.4
225.10216	4.8
237.10237	6.3
239.11937	5.5
241.09766	10.2
243.11182	32.5
249.10234	8.6
263.07950	4.1
264.08719	5.6
265.09738	7.2
267.11295	6.9
269.09167	9.2
271.10782	11.9
271.59683	4.2
273.12326	7.3
278.10590	4.0
283.10538	5.7
285.12292	52.2
287.10345	10.6
293.09241	9.2
295.10837	11.7
297.12225	9.8
301.11783	9.7
303.13409	70.8
323.10315	37.7
325.11636	5.9
326.94617	3.9
330.12424	6.1
341.11255	4.6
344.13928	5.4
347.16727	4.1
355.13089	7.7
358.15503	6.2
374.14774	5.9
386.15112	14.0
404.15884	6.1
414.14313	10.1
415.15314	22.7
432.15427	12.4
456.15503	9.9
462.16449	9.6
474.16452	47.5
506.19461	9.7
583.21344	7.4
597.23242	8.8
607.21674	18.1
625.22913	100.0
639.24481	5.5
692.52997	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32460	5.4
64.93209	5.2
69.33097	5.0
70.06555	7.8
75.16211	5.3
78.01820	5.7
79.14108	6.5
86.64713	6.4
88.66824	5.4
91.05505	9.3
104.33936	5.6
118.06600	15.8
120.08150	7.6
122.05959	6.3
144.04492	12.2
146.06023	53.8
148.07597	8.6
165.06538	6.6
172.03922	22.2
190.05028	21.3
204.06618	24.1
208.85173	6.7
213.10223	12.0
221.10857	9.6
243.11353	25.4
249.10272	16.4
251.11771	7.8
259.10840	27.8
267.11221	8.2
277.09808	26.6
279.11319	16.8
285.12308	20.3
301.11807	22.6
303.13275	35.4
305.09225	28.8
323.10049	16.5
337.11768	12.7
392.52637	8.9
563.21936	8.6
589.20459	23.8
607.21753	100.0
621.23297	15.2
639.24554	25.8
698.74683	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	676.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44874	5.1
64.63481	4.7
65.55891	4.4
77.70201	6.3
83.16662	6.0
86.09700	35.8
97.61172	5.6
105.18152	5.2
112.15722	5.0
125.00023	20.6
174.95322	5.3
184.07326	100.0
219.70465	6.1
306.87918	6.7
344.86707	6.6
452.85690	6.3
454.39151	6.4
469.04684	6.6
473.78226	6.7
692.59442	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09917	11.9
95.85462	17.3
106.06551	26.2
108.08106	20.5
118.06512	25.9
120.08026	16.9
136.07495	20.2
136.49608	15.6
146.06039	75.3
148.07523	16.6
152.07069	38.3
166.08629	85.1
172.03888	30.1
199.08665	18.9
204.06566	26.1
239.11934	28.9
249.10301	40.8
251.11853	28.3
277.09784	25.8
279.11389	23.5
285.12372	21.4
295.10873	26.3
297.12329	41.5
298.13159	17.7
309.12418	32.2
319.10983	18.7
337.11646	42.4
368.13565	24.6
392.27432	18.6
442.17319	29.3
444.18970	24.3
446.16913	20.4
460.18292	41.7
462.19998	30.8
470.17175	60.2
488.18250	74.3
502.19714	61.1
506.19058	23.0
520.20361	100.0
574.93890	17.2
599.23682	19.7
609.23303	33.4
610.53387	17.5
627.24286	64.5
645.25220	27.5
659.26544	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	677.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00653	4.5
68.77193	4.7
79.05496	8.8
90.21506	5.3
90.25175	4.8
91.70982	12.5
94.06557	18.9
106.06532	29.2
108.08121	12.1
122.06039	14.7
134.06006	57.8
136.07611	13.5
144.04437	9.0
146.06004	39.1
148.07556	17.4
150.05513	8.1
150.09161	24.7
152.07080	36.7
160.03976	7.2
162.05501	38.4
164.07050	38.4
166.08636	88.7
172.03952	19.3
190.04973	28.2
195.84776	6.0
204.06558	42.2
211.12230	10.9
225.10179	13.0
226.11053	9.0
227.11819	8.1
236.09309	6.4
237.10283	15.4
238.11073	9.0
239.11780	21.6
249.10194	16.6
250.11061	12.4
251.11795	19.1
263.11789	36.3
264.08792	6.9
264.12585	9.1
265.09763	12.7
265.13168	8.9
265.28589	6.2
266.10455	8.0
267.11276	21.7
269.12845	7.9
271.10684	10.3
279.11343	31.2
284.11404	7.4
285.12341	16.7
287.13879	11.7
291.11310	23.9
293.09210	11.2
293.12900	24.5
295.10767	100.0
297.12241	38.5
299.14050	14.0
309.12280	24.3
319.10745	12.2
321.08539	26.8
323.10251	26.3
323.16116	14.7
325.11768	16.3
327.13654	10.9
337.11786	86.2
339.09641	9.1
339.13452	8.0
346.97272	6.7
353.11423	21.6
355.13055	7.4
357.14798	6.2
401.13019	8.5
412.16531	7.5
416.15753	8.0
420.19083	6.5
448.18329	8.7
452.27509	6.0
462.20303	27.9
488.18103	83.7
506.19455	12.9
520.20984	31.0
609.23291	18.9
627.23773	15.1
645.25488	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24084	12.5
59.66920	15.9
62.21423	13.0
64.95695	14.8
70.06596	20.2
91.71275	50.7
94.06593	18.1
99.55559	14.3
100.64433	15.0
104.70225	15.0
108.08086	26.3
120.04459	20.6
120.08105	60.6
120.67568	18.0
121.89747	17.0
129.56142	18.0
136.07561	21.0
138.09055	17.1
141.93755	16.0
144.04453	25.5
146.05986	49.6
148.07587	75.4
150.09056	31.2
169.21817	17.8
172.03978	59.9
190.04964	25.8
204.06609	69.7
243.11320	21.8
248.09335	25.3
268.36584	21.2
279.11377	50.9
281.12857	37.5
287.10162	43.2
303.13287	31.3
307.10791	28.5
325.12051	31.7
337.11960	19.7
339.13513	79.8
482.52090	24.3
488.18304	65.4
520.20868	95.4
575.85120	23.7
609.23718	100.0
641.24982	24.1
645.25140	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	7.3
59.22381	6.8
70.06595	10.8
79.05462	8.4
81.05793	9.1
86.09705	14.8
93.06996	18.7
94.06550	10.9
108.08115	32.8
108.78394	8.1
110.07301	8.5
120.04519	14.1
120.08128	46.1
120.13382	7.5
144.04446	18.8
146.06053	35.7
148.07579	40.6
166.08630	9.9
172.03894	64.4
190.05046	18.4
204.06567	90.1
213.10229	20.4
215.11850	12.5
222.07996	9.3
236.09360	12.0
241.09581	14.5
243.11285	12.6
251.11809	22.5
253.13441	9.7
255.11447	11.7
265.09387	8.4
269.09357	8.4
271.11008	10.1
278.78638	10.8
279.11359	25.5
281.09705	8.8
281.12714	22.4
283.10971	12.6
285.12396	12.9
287.10245	40.2
291.11441	9.0
297.12247	16.4
303.13394	23.3
307.10641	19.6
309.12457	12.6
310.77585	9.2
311.13583	11.4
325.11734	22.7
337.11841	11.9
339.13382	83.4
415.15167	12.2
432.15732	10.4
474.17004	12.8
488.17737	14.2
520.20337	19.0
567.22211	22.1
581.22882	15.7
583.66022	11.7
591.22125	16.4
609.23468	100.0
623.24915	22.1
627.24512	24.6
641.25659	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68930	13.2
78.16573	15.2
87.41281	12.9
89.43803	17.2
92.11771	16.1
93.02236	16.3
93.07065	19.9
108.08076	16.8
119.17380	14.3
120.04451	24.3
120.08096	17.6
122.43434	15.6
136.42487	17.8
146.06042	36.8
148.07571	20.7
204.06628	21.3
207.39146	16.9
227.04085	16.1
243.11311	40.2
281.12872	27.9
287.10339	29.2
303.13446	38.3
307.10782	45.5
308.84818	17.6
339.13562	28.0
445.64798	22.5
567.22815	29.3
591.22614	24.3
609.23291	100.0
626.88110	18.2
641.25507	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	677.2816
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
51.21558	10.1
52.66235	9.8
53.58713	11.3
58.24096	9.9
64.67030	11.0
71.63171	12.6
77.72121	11.5
91.71651	14.2
108.08121	21.4
111.78545	14.9
114.73946	11.4
120.04542	17.5
120.08153	21.7
136.07593	26.0
146.06023	45.4
148.07587	20.4
166.08600	31.0
172.03978	23.8
190.04980	27.1
204.06563	34.4
243.11310	25.6
249.10252	21.0
255.11177	17.1
279.11380	31.3
281.12897	27.2
285.12323	32.6
287.10330	21.3
303.13416	44.7
307.10751	28.8
325.11868	32.1
339.13528	24.5
415.15131	19.3
432.15253	19.9
438.37747	15.1
474.16486	36.9
563.99097	16.9
591.21448	16.8
609.23212	100.0
627.24701	79.3
700.64569	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	677.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49984	12.2
53.30847	12.2
53.62955	13.0
56.59764	13.8
63.64997	14.5
66.72838	13.5
71.64746	14.8
82.51617	13.5
82.54306	13.9
87.92291	13.8
91.71647	37.0
100.40520	14.2
106.06538	26.9
108.08076	25.8
116.43330	17.5
150.09077	100.0
166.08646	38.4
180.10164	87.0
213.95987	16.8
227.79538	18.5
239.11598	16.6
251.11819	38.8
263.11758	41.4
271.96814	17.6
279.11401	31.2
281.12762	25.1
285.12354	21.3
291.11008	18.4
311.13974	39.3
313.15576	40.1
323.13855	71.1
351.13339	58.9
460.22171	58.9
462.24005	77.6
488.21686	38.2
506.22733	21.7
520.24481	70.7
552.32275	25.3
595.93744	20.1
645.28912	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	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23517	1.5
55.38609	1.3
55.83342	1.3
60.44812	1.5
70.06594	1.7
80.90359	1.6
80.92055	1.7
91.71050	2.8
93.17972	1.7
139.67047	2.1
148.24513	1.8
203.05211	1.9
256.26617	2.3
365.10776	4.3
475.89835	2.1
515.31842	24.6
552.18951	2.0
579.23535	2.1
677.37158	100.0
678.37579	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35881	1.5
54.16064	1.2
59.51261	1.4
59.68059	1.4
185.04234	2.0
215.25642	2.0
256.26349	4.9
325.63251	2.2
338.28079	2.2
515.31836	28.4
566.78955	2.3
677.37177	100.0
678.37256	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82689	9.6
54.96744	11.0
64.02443	10.5
73.33329	12.6
83.07219	11.6
103.78526	13.0
103.82657	11.1
141.20895	16.7
143.91823	12.4
221.09631	15.4
250.05966	15.2
514.68219	18.3
677.43610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15646	12.1
60.13408	12.6
90.58842	11.2
107.08552	13.1
121.27936	13.0
143.23790	14.3
175.99554	16.4
184.07285	17.8
206.88565	16.0
329.03790	17.8
371.56885	19.1
385.70972	18.9
485.23746	24.8
515.24634	30.8
531.23962	19.6
559.23206	51.2
591.25891	50.0
658.18652	19.9
678.32971	100.0
678.43701	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59603	0.5
56.05018	0.7
60.08154	9.3
65.56142	0.5
66.76095	0.5
67.00678	0.6
68.85651	0.7
71.07366	5.5
81.07040	1.0
82.47195	0.7
86.09697	41.7
91.71013	1.3
95.08623	0.6
97.62105	0.8
98.98444	4.4
100.38034	0.7
104.10723	2.8
118.81606	0.7
122.82825	0.7
124.99995	21.9
129.34575	0.7
184.07326	100.0
185.07643	0.8
204.79793	0.7
229.26512	0.8
265.49139	0.7
270.04303	0.7
320.26379	0.7
364.93372	0.8
678.46875	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	678.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81948	1.1
53.90971	1.0
60.08159	6.1
62.50865	0.9
62.88852	1.1
64.64084	1.0
71.07362	3.8
81.07015	1.1
86.09177	1.7
86.09698	33.7
91.70999	2.0
98.98482	2.8
104.10732	3.5
106.38373	1.0
107.56860	1.1
123.97827	1.2
124.99997	20.5
161.72504	1.3
184.07327	100.0
213.87819	1.4
259.33035	1.4
659.23865	1.8
678.46912	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	678.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44443	8.7
57.07059	24.6
57.89375	9.5
71.08640	58.0
81.51891	12.2
84.51923	9.4
85.10184	25.8
86.09686	27.5
87.04475	25.4
89.06026	100.0
91.05469	16.9
91.71024	11.1
93.03999	10.2
121.06514	25.7
124.99977	24.3
130.08629	30.1
133.08620	90.3
177.11292	27.5
184.07404	69.9
247.20547	17.5
276.36002	13.3
291.23239	35.3
371.89032	12.8
394.58252	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	679.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28531	3.4
60.98038	3.4
70.06563	4.9
84.20748	4.0
88.18545	4.3
94.06546	5.9
96.26384	4.6
106.06553	8.8
122.06044	15.3
134.06026	19.8
136.07556	9.6
146.06012	100.0
148.07588	5.0
158.63951	4.6
164.07120	7.7
215.11743	5.1
243.11269	15.8
255.11389	4.5
259.10843	5.6
269.12854	7.2
273.12457	4.8
274.12958	4.3
285.12299	21.4
295.10736	6.5
297.12274	39.9
301.11942	5.3
302.12860	5.0
303.13367	68.7
319.12238	4.9
350.77328	5.7
394.17575	11.4
406.17267	10.2
448.18625	23.2
544.36096	5.3
599.24762	15.6
625.22406	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	679.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05083	6.3
61.85852	6.8
70.06589	12.0
77.07445	6.8
86.09684	9.4
91.05412	7.4
91.70995	14.3
94.06593	11.7
106.06536	9.4
109.63738	7.2
112.03376	8.0
122.05993	11.5
134.06032	17.7
136.07529	14.0
146.06006	100.0
163.51115	7.7
164.07126	11.0
190.04974	12.0
243.11287	23.6
285.12350	17.6
297.12207	43.0
301.12265	9.1
303.13242	79.3
303.18735	10.2
443.44476	8.5
448.18604	34.1
599.24847	29.3
625.22681	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	679.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02911	9.2
57.08792	7.8
66.65454	9.3
71.37595	8.4
74.44901	9.1
77.44373	8.7
88.96838	8.9
93.07039	13.6
95.04946	10.3
99.60056	10.6
106.06519	11.3
108.08097	13.6
109.02708	10.3
120.08106	21.9
145.21727	12.0
146.06015	29.8
148.07571	33.3
150.09120	18.0
152.07047	30.0
164.07051	14.8
166.08615	45.1
172.03955	48.1
190.05067	13.1
192.74745	10.7
204.06528	100.0
211.12379	13.7
219.11356	10.5
223.12114	12.6
225.10263	17.2
229.13957	11.8
237.10394	29.5
239.11783	14.5
247.10484	10.7
250.10800	19.1
251.11775	17.7
253.13412	23.0
255.11298	12.1
263.11557	12.3
279.11292	35.4
280.12344	13.0
281.12842	25.2
284.11713	13.8
297.12357	36.9
298.13242	12.3
309.12360	23.2
315.76727	12.7
337.11801	24.9
339.13266	40.9
355.12808	17.1
358.70261	12.4
384.17520	15.2
444.19183	18.6
472.18631	56.7
490.19699	27.2
504.21274	80.1
522.21997	30.6
567.76825	13.5
569.24188	20.6
611.24658	19.8
629.25800	44.1
643.27289	16.0
661.28070	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.7
55.98073	3.6
66.01694	3.2
70.06550	3.9
71.35102	3.1
80.59407	3.4
82.06563	3.9
84.08184	3.3
91.05439	4.5
94.06565	4.5
95.07352	3.6
96.08128	12.8
100.07623	4.3
100.11253	14.4
108.08118	21.6
108.26732	3.3
110.09671	22.8
120.08118	14.9
124.07598	10.1
134.05963	5.5
136.07542	22.1
138.09117	19.9
144.04391	4.7
146.06046	7.5
146.09692	4.6
148.07599	6.8
150.09142	17.6
152.07091	14.5
162.05492	3.6
164.07089	15.7
166.08632	49.7
172.03920	30.9
176.07216	4.0
182.15459	5.0
190.05061	11.3
199.12175	4.3
204.06549	100.0
210.11484	3.5
210.14873	8.2
237.10182	4.9
238.10925	7.1
239.11848	5.2
246.43153	3.5
249.10349	4.7
249.46390	4.2
250.10999	5.7
251.11763	5.8
253.13264	4.3
261.47125	3.8
263.11786	17.7
264.12509	5.3
265.13251	4.4
266.10461	4.0
267.11215	7.5
269.12857	4.5
270.13531	4.2
279.11160	20.4
281.12918	6.5
284.11685	4.6
285.12466	9.9
291.11362	13.0
293.12817	10.5
297.12299	30.9
299.13916	8.5
309.12314	23.7
315.13425	5.5
319.10648	11.0
323.10284	9.7
325.11649	17.2
337.11713	29.8
355.12866	10.8
357.14551	13.5
369.14362	13.0
373.14020	12.1
458.16833	6.4
462.20383	3.8
464.21741	8.4
490.19943	19.1
522.22314	67.1
611.25000	10.5
629.25507	10.8
647.26965	10.6
679.50629	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	679.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15630	2.8
57.00166	3.1
67.48820	3.1
82.06584	4.8
93.05780	3.7
93.07029	5.7
94.06569	13.9
95.07346	4.4
96.08128	20.8
106.06559	10.1
108.08116	26.1
110.09695	28.9
117.95704	4.7
120.04463	4.6
120.08094	29.1
122.06019	12.8
124.07610	18.3
136.07579	22.1
138.09125	43.7
144.04408	5.4
146.06026	21.8
148.07547	14.2
150.09126	6.3
152.07040	21.1
162.05493	6.4
164.07118	13.0
166.08632	100.0
172.03938	25.9
190.04947	22.7
204.06537	38.8
211.12369	8.4
223.12321	7.6
225.10237	6.4
235.08838	7.2
237.10275	12.4
238.10985	6.4
239.11771	18.6
246.07629	4.3
249.10345	12.5
250.10947	9.6
251.11754	17.7
252.09013	4.6
252.12523	6.7
253.13263	11.2
257.12851	5.7
263.11707	29.8
264.08682	7.9
264.12518	6.5
265.09692	8.3
265.13367	7.0
267.11395	14.9
269.12897	10.3
271.14383	7.2
273.12439	7.3
278.10339	5.6
279.11368	32.4
281.12802	12.5
285.12332	18.7
287.14044	5.4
291.11212	19.9
293.12790	20.8
295.10971	4.6
297.12234	55.5
298.13293	4.9
299.13852	14.4
309.12192	25.4
311.10388	8.2
311.13892	9.0
315.13409	25.7
319.10892	15.3
323.10254	10.0
325.11777	39.2
327.13498	5.6
337.11816	89.2
343.12973	5.9
357.14450	14.0
391.77887	5.1
401.13483	6.4
430.17172	4.6
458.16769	5.2
464.21988	42.7
482.19431	6.6
482.57458	4.6
490.19681	68.4
522.22339	32.2
611.24780	11.1
629.25616	12.2
647.26740	31.7
679.29926	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	679.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55560	5.6
77.38735	4.9
83.84834	5.8
91.05509	6.1
93.07066	14.4
94.06590	14.7
100.85983	6.3
106.06561	15.1
108.08139	21.2
118.06572	9.9
120.04456	7.9
120.08099	37.6
122.06023	14.0
122.09689	13.2
126.07768	7.3
146.05978	52.7
148.07558	63.7
150.09129	15.7
152.07037	40.1
166.08618	90.1
166.09760	7.8
172.03998	23.2
190.04996	23.2
204.06569	16.9
205.38857	7.3
209.10765	12.1
210.11531	8.9
211.12231	11.2
223.12439	8.7
225.10327	17.2
237.10258	22.7
238.10968	11.4
239.11894	18.1
249.10242	7.9
250.11003	13.8
251.11803	29.9
252.12428	8.1
253.13417	14.4
255.11316	10.1
263.11893	18.5
264.08838	9.2
265.09766	16.9
267.11389	12.9
271.10898	10.0
277.09650	7.3
279.11365	50.3
280.12167	10.0
281.12637	34.1
284.11801	11.8
285.12338	12.8
287.14145	9.7
291.11441	15.3
293.12820	10.2
296.11615	10.3
297.12271	35.6
298.13232	17.9
299.13925	13.5
307.10889	27.3
309.12527	29.8
311.10532	7.4
311.13995	12.1
319.11111	8.4
325.11896	18.8
337.11948	21.8
339.13376	11.8
343.17169	9.1
344.17990	11.0
384.17392	10.0
413.17368	9.2
428.19510	11.7
431.18347	9.1
432.19315	16.9
444.19266	45.4
446.20761	25.9
464.21786	18.7
472.18576	100.0
490.19519	43.3
504.21143	17.9
508.20859	8.1
522.22217	17.9
539.26324	7.9
569.24243	21.3
585.27277	10.2
601.26489	18.5
611.24921	29.0
629.25928	65.1
643.27570	10.4
647.27222	11.4
661.28894	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	679.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86778	4.8
58.89775	5.0
75.90041	6.1
76.31201	6.2
91.71633	6.3
107.90264	5.9
113.46182	6.1
123.36180	6.6
160.07201	6.2
298.17722	6.5
305.00787	7.0
471.99185	7.2
679.34393	100.0
690.79572	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	679.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76263	23.1
131.66968	27.9
148.10460	23.0
169.78651	23.7
252.73579	30.3
567.20715	27.8
679.33740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27835	1.2
53.03933	0.6
55.05504	9.3
57.07053	0.7
61.08420	0.3
67.05473	1.0
69.07046	1.2
70.06590	2.2
71.57835	0.3
81.07047	1.1
82.06570	4.6
83.04970	1.6
83.08611	17.8
84.08133	1.6
85.06525	1.2
91.71637	0.6
94.06528	0.4
96.08099	0.9
97.06504	0.5
98.09673	2.4
100.07607	7.3
100.11246	100.0
101.11580	0.9
102.96003	0.3
105.59902	0.3
108.08089	0.4
109.06530	0.4
110.06038	3.4
111.04430	11.4
111.05199	0.6
112.07584	3.9
112.11238	0.9
117.13903	1.5
126.09129	2.4
127.08672	3.6
128.07074	7.8
128.07977	0.6
129.05464	0.5
139.08658	6.0
140.07088	2.3
147.11722	0.9
149.13243	0.8
164.14368	0.9
166.15916	1.2
182.15396	35.5
192.13826	1.2
209.16483	31.4
210.14874	41.5
211.15266	0.7
226.19142	6.9
227.17505	3.0
228.15950	3.6
245.18672	0.6
263.70694	0.8
308.26794	0.7
309.25409	1.6
326.27979	5.4
335.24405	0.9
336.22812	3.0
337.21323	0.6
343.30637	2.0
362.82169	0.4
417.31851	0.4
435.33472	1.3
436.31686	1.0
452.36023	2.1
453.34473	0.9
511.77087	0.3
552.44745	1.2
661.50055	8.6
679.51093	70.1
680.51733	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	680.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
60.07907	0.7
60.08154	8.0
67.64491	0.5
70.16307	0.4
71.07376	2.9
80.37873	0.5
85.98114	0.6
86.09695	40.4
86.98042	0.5
98.98444	2.2
104.10721	2.4
124.99992	22.6
142.15678	0.6
146.15126	0.5
156.29077	0.5
157.40851	0.5
166.02634	0.9
169.13844	0.5
184.07324	100.0
185.07710	0.8
391.06589	0.6
426.86407	0.6
481.55911	0.6
680.48767	4.5
687.78876	0.6
700.15503	0.7
708.63269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94241	1.4
55.05494	2.1
56.05041	2.0
57.03419	5.2
57.03673	1.4
57.07052	7.3
58.06591	58.6
59.07373	18.7
60.08151	14.1
67.05486	6.0
71.08611	3.3
75.04476	4.3
78.33044	1.6
79.05489	2.2
80.17667	1.5
81.07050	4.7
83.04948	2.8
83.05408	1.5
84.08146	1.7
85.02890	1.8
85.10142	2.0
86.07043	1.5
87.04467	4.7
90.08920	1.5
91.05495	3.8
93.51726	2.8
95.08600	4.8
105.06986	2.0
118.48615	1.7
130.08658	2.0
131.07074	2.5
144.10188	21.9
162.11270	7.9
181.78726	1.8
222.85616	1.8
236.14912	100.0
278.10269	1.8
376.61108	2.1
416.67889	2.0
424.26758	2.1
442.28110	7.4
456.36996	5.9
474.37714	13.9
506.69202	1.9
664.62805	2.2
680.50934	91.8
681.51105	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	681.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00578	28.1
62.76540	32.2
66.25782	29.2
67.47854	36.9
70.06580	78.1
78.45079	36.1
90.80467	44.2
121.02831	41.1
165.29858	39.4
194.11911	43.5
225.51062	36.8
248.02345	52.5
291.76343	47.8
313.03790	52.0
331.04987	43.1
336.05353	77.8
354.06500	77.4
377.08090	48.6
382.23746	41.3
433.77551	42.6
436.09799	39.5
550.21887	50.4
625.97577	49.2
644.16174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2759
Annotation	Azadirachtin N
Peak:m/z	Relative Intensity
55.05497	18.7
70.06581	70.0
72.08137	15.0
83.08576	8.1
84.08124	23.4
86.09721	8.7
100.11250	61.6
101.11596	15.9
104.89672	6.7
110.07159	23.6
111.04492	7.7
117.40227	6.5
129.10197	10.0
135.70064	7.2
146.06029	10.5
175.08868	8.4
182.15399	17.0
201.12361	7.8
202.12494	7.3
209.10683	7.9
209.16487	12.4
210.14877	8.2
213.10191	20.9
215.11888	8.2
223.03267	8.0
225.10257	8.4
227.17375	7.9
237.10223	8.8
238.50430	8.0
241.09683	20.9
243.11353	34.4
250.07420	15.9
255.11153	13.1
265.09692	35.6
267.11191	15.3
269.09265	9.6
285.12329	37.1
287.10220	14.9
293.09088	40.4
295.10767	8.4
303.13416	55.5
311.10373	16.1
343.12991	9.9
352.68784	8.2
360.12997	8.3
452.12680	8.6
553.20679	16.0
567.22473	15.3
595.21771	100.0
596.19958	9.3
609.22467	13.1
613.22003	13.0
627.24396	43.5
634.07574	8.0
680.50854	26.8
681.51312	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19598	4.8
65.04475	5.0
72.39706	4.8
79.05429	6.9
91.70994	12.3
106.06565	8.9
122.06032	6.8
124.07659	7.4
124.91846	6.2
134.06017	28.6
134.96764	7.2
136.07570	11.8
146.06013	73.0
147.10335	7.4
148.07552	12.5
150.09131	9.2
152.07079	10.0
162.05428	10.1
164.07072	19.5
166.08574	46.5
167.91331	6.9
172.03987	7.6
186.84506	6.3
190.05063	8.8
239.11606	16.2
251.11726	11.2
265.13446	8.7
295.10742	100.0
297.12305	13.1
298.13120	8.8
299.13947	8.9
309.12415	9.6
311.13922	12.1
313.12021	11.2
337.11838	23.8
448.40482	7.8
462.20361	31.6
488.18130	16.7
506.19244	15.1
545.71082	7.4
645.25385	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	682.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14426	2.1
62.80214	1.7
70.20913	2.4
70.78809	2.5
77.46005	2.1
77.67229	2.4
85.02888	5.7
87.71391	2.1
91.05484	2.4
97.02873	2.3
107.04952	10.1
107.47861	2.3
115.05449	3.4
121.06505	8.9
134.79990	2.4
143.04942	7.8
148.07597	2.8
153.17096	2.7
165.06964	5.5
169.06459	4.9
171.01555	2.4
171.04457	7.1
179.24925	2.7
183.08011	5.4
195.08017	4.3
197.06042	6.1
198.06787	4.1
199.03905	5.2
199.07538	3.0
204.06496	3.3
205.06833	2.3
209.06044	2.9
211.04236	2.3
211.07581	7.6
212.08369	5.9
213.05487	6.0
225.05455	4.5
227.03416	7.6
239.06902	11.8
241.05000	5.7
253.04906	3.5
290.63110	2.8
300.07626	2.9
355.13266	3.2
365.11768	3.4
376.39316	2.5
424.13287	3.3
439.11707	6.2
457.12744	4.5
467.11224	92.5
468.11478	4.8
472.28149	3.0
485.12369	19.1
498.72531	3.0
503.13306	100.0
506.21240	3.5
523.95966	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	682.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85025	9.4
55.05503	9.3
62.30045	6.2
65.03910	8.4
67.05499	69.5
69.07061	21.9
71.04985	7.9
74.86686	7.6
76.08875	6.9
79.05488	30.1
81.07047	92.4
85.06528	17.2
91.05476	53.5
93.07051	28.1
94.43010	7.2
95.04929	12.3
95.08606	100.0
97.06593	9.2
103.75544	7.7
105.07030	28.6
109.10123	15.4
112.85238	8.1
117.07005	19.0
119.08562	24.2
129.06990	12.3
131.08575	14.5
145.10225	9.3
159.05478	7.8
159.84871	8.7
165.12776	8.3
208.17041	19.6
226.18040	11.7
257.17563	27.6
306.15024	11.5
318.76822	9.5
541.38855	87.1
664.40295	12.8
691.48065	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	682.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.5
57.07060	10.0
58.06597	59.4
58.64299	6.2
59.07380	19.4
60.08146	11.2
64.19257	7.3
76.31199	6.8
80.94860	8.7
81.07052	8.1
101.64167	8.9
108.38077	7.3
121.24380	8.9
138.29755	7.8
144.10210	15.1
236.14922	96.1
444.25589	9.2
474.37930	16.9
491.44305	10.4
649.90802	10.5
682.48767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89450	14.5
61.17673	18.4
70.06581	21.6
74.32846	16.3
80.74981	19.9
81.25788	17.6
115.38566	17.4
152.07083	49.9
164.28783	21.1
166.08678	61.5
176.83395	23.9
190.20641	18.9
254.57979	24.5
255.47458	24.0
276.26321	19.9
305.88812	22.6
490.19730	100.0
523.07611	25.4
565.44751	24.4
625.85339	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	683.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06569	18.0
73.25706	14.8
73.41385	15.3
73.62437	16.9
79.05456	16.9
91.71351	90.1
94.06552	16.7
120.08086	20.8
122.06127	17.2
136.07605	24.8
138.04312	16.2
148.07538	20.0
152.07065	100.0
164.07100	33.7
166.08592	97.8
225.10413	23.1
255.11314	25.6
258.66647	19.4
261.12683	19.3
264.75510	20.7
265.09625	23.6
267.11087	19.2
279.11484	27.4
293.09216	48.0
297.12018	22.6
311.13943	29.9
313.15625	28.7
339.13327	37.1
371.15811	23.2
414.18253	21.8
430.17505	26.1
432.19220	30.6
450.20187	20.3
458.17035	39.0
460.18530	40.6
461.17197	22.5
476.18076	30.5
490.19586	73.3
494.18906	22.8
496.20795	21.9
508.20953	24.1
581.75732	22.0
615.24396	38.1
633.25244	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.4
67.05186	10.0
67.05491	64.2
69.07060	19.1
70.91897	7.7
74.91798	6.5
79.05490	24.8
81.07051	100.0
81.55351	7.5
85.06529	17.3
91.05506	53.0
93.07021	20.5
95.08599	79.8
97.06555	12.4
105.07024	20.8
105.23039	7.5
107.08604	14.1
119.08560	18.0
131.08592	13.2
133.10168	9.5
146.59450	8.5
208.41946	11.1
245.79349	9.2
257.17477	30.3
262.66568	8.5
315.57217	8.7
543.40472	78.3
554.10474	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	684.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26288	2.3
51.74196	2.0
52.04408	2.3
53.00290	2.9
53.03945	3.6
55.01868	4.9
55.05507	34.5
57.03427	5.5
57.07067	5.3
62.00206	2.2
65.03910	3.9
67.05496	51.8
69.07059	41.7
71.04993	6.7
71.08582	3.3
72.51336	3.2
74.15820	2.3
79.05470	24.5
81.07048	40.8
83.04965	3.4
83.08608	35.1
85.06525	3.8
91.05473	51.2
93.07030	37.2
95.04990	6.8
95.08597	25.5
97.06553	14.5
97.10149	9.6
97.35148	2.9
97.96555	2.2
98.98445	2.9
103.05496	2.8
105.07037	27.2
107.08564	19.4
109.10119	6.6
111.08065	7.7
117.07026	17.4
119.08555	14.9
121.10138	11.7
123.08078	3.2
126.52943	2.9
129.07024	6.2
131.08554	21.5
133.10121	4.3
136.35001	2.6
143.08549	5.5
145.10123	9.5
147.11739	3.0
149.13222	18.2
157.10153	3.6
166.32388	2.5
167.14319	12.0
167.60719	2.9
173.13248	3.5
185.13226	2.9
185.15401	3.5
191.50345	2.8
194.93008	2.6
201.16451	6.1
228.19640	6.9
241.18001	17.4
259.19037	31.0
338.02670	3.0
543.40405	100.0
563.95251	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	684.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15441	14.2
55.05487	15.3
55.98952	13.0
67.05482	74.4
79.05471	71.5
81.07038	66.2
83.04971	34.3
83.08601	21.3
91.05466	26.2
93.07022	86.8
95.08593	51.5
97.06532	18.1
99.51849	16.9
105.07012	24.9
107.08584	64.3
107.83588	17.1
121.10123	36.4
124.38471	17.4
127.39409	16.2
132.74652	16.3
134.68837	16.6
135.11659	42.5
172.48242	17.5
200.90410	16.4
234.77097	19.5
255.15894	60.6
307.22568	100.0
416.10471	18.4
439.62369	20.2
487.34198	74.7
656.00098	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	684.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	36.8
69.07035	5.0
69.84441	4.7
71.08630	36.3
71.10945	4.8
82.29839	4.3
83.08607	11.9
85.10165	23.5
86.85594	4.3
87.04445	7.4
89.06022	100.0
97.10149	8.5
114.09187	5.7
117.09145	7.0
129.68042	5.0
130.08611	28.3
133.08597	66.7
171.00189	5.0
177.11240	22.4
205.12740	6.5
216.74565	5.2
322.93301	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	685.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88801	10.7
68.79849	9.7
70.06586	23.6
112.17558	13.4
112.79306	10.7
163.37489	11.4
167.08897	12.4
172.56369	11.5
178.80835	12.5
231.94537	12.9
241.23166	12.8
308.90463	12.1
399.02551	13.6
550.65656	14.7
635.21259	28.3
653.22168	100.0
667.23102	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	685.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00435	3.6
65.61791	3.7
70.06542	5.1
70.29208	4.6
72.62200	3.6
92.53659	4.2
104.14535	3.9
106.06580	4.1
110.07225	4.7
120.03713	4.8
120.04494	15.8
126.11199	4.1
129.49663	4.7
134.06007	12.7
136.07567	10.1
146.06003	6.4
156.74222	4.5
162.05467	21.4
169.85187	4.2
215.87355	4.8
229.96761	4.8
253.09656	6.4
265.09451	5.2
279.11304	7.1
292.11130	4.8
293.09097	5.1
319.72122	4.9
354.12219	5.4
363.68796	5.0
370.11841	6.3
383.13022	6.5
384.13190	7.9
418.96173	4.8
444.15616	6.1
456.15402	19.7
484.14929	5.9
607.21997	6.7
635.21155	10.5
653.22339	53.3
667.23981	9.0
685.25104	100.0
686.24774	6.0
690.93085	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	685.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64867	12.1
62.30730	15.5
88.90786	14.3
135.43767	17.0
140.98764	18.5
168.50401	15.6
190.81894	17.5
321.17615	20.1
345.67047	16.8
458.39383	20.4
523.25104	33.7
644.72876	22.7
685.30481	100.0
705.65698	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53337	8.5
74.35848	10.2
91.91923	12.4
167.11049	13.4
167.77100	14.6
217.62547	13.4
235.44417	14.8
311.12460	13.0
685.39191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	42.8
57.07059	9.1
59.10802	4.4
67.05498	51.4
67.63399	4.5
69.07065	58.4
71.04996	6.4
72.86879	6.2
73.85236	6.5
74.27504	5.1
77.42170	5.3
79.05486	32.3
79.68458	5.8
81.07036	30.9
83.08612	36.5
91.05479	49.4
91.71559	8.4
93.07028	34.1
95.04956	6.6
95.08623	11.6
97.06519	17.5
97.10161	13.2
98.98463	9.0
105.07030	25.5
107.08566	14.9
109.10127	9.5
111.08042	9.3
117.06967	8.8
119.08592	22.3
129.07047	7.8
131.08540	11.1
133.10054	12.0
143.99820	6.0
149.13248	15.4
167.14362	7.8
203.17957	11.9
228.19557	10.7
241.17963	29.2
259.18915	34.0
269.22534	7.3
453.86572	7.4
545.41980	100.0
703.67871	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	50.4
58.26754	31.1
67.05505	81.5
79.05486	57.9
81.07067	100.0
87.04811	34.2
91.05460	48.0
93.07016	68.4
95.08613	50.0
105.07024	74.5
119.08577	50.5
227.09161	50.8
300.72549	46.4
314.22870	44.7
489.35651	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84967	8.3
54.48590	9.1
55.05490	14.4
56.46303	7.6
57.03427	15.2
67.05217	10.5
67.05502	100.0
69.03406	11.2
69.07048	20.1
79.05489	29.5
81.07044	64.3
83.08605	15.8
91.05472	51.2
91.71664	15.3
93.07027	77.7
95.08613	95.4
100.82681	10.3
105.07040	15.3
107.08584	12.8
109.10163	42.9
109.90141	9.8
110.29008	9.8
112.66915	12.8
117.06992	9.5
119.08583	35.6
121.10136	17.6
131.08563	17.5
133.10123	20.2
137.09639	57.6
145.10152	18.5
159.11678	15.5
184.07382	21.6
192.52449	12.4
295.65848	12.7
335.25708	30.9
355.01630	12.5
397.31018	32.8
471.34805	25.4
489.35822	43.1
492.45505	13.1
517.33856	12.5
608.97815	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	687.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62481	17.6
53.93010	18.1
57.30783	19.1
63.18106	17.3
66.90092	19.0
84.04494	77.2
88.03967	50.7
91.05460	28.5
99.01990	23.1
107.04930	39.3
116.03165	21.3
118.99533	22.0
121.06495	57.9
139.26691	26.8
153.49701	24.3
224.04715	29.0
250.48840	24.7
257.02725	65.4
329.08005	32.1
423.10916	24.4
436.12677	46.8
469.10892	100.0
494.17517	29.6
638.65381	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	687.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05877	11.2
63.67890	10.9
63.73761	13.4
70.45549	13.1
78.08070	12.9
78.35918	13.1
84.04520	58.0
88.04015	49.5
92.50686	12.8
93.07082	15.9
98.86656	14.9
106.45657	14.0
107.04993	47.7
117.43308	14.9
121.06552	52.1
123.50134	14.7
130.05174	13.3
181.06557	21.1
199.07639	19.7
211.07628	26.4
224.04695	34.8
227.07272	20.3
257.02795	53.6
329.08032	26.4
429.67847	22.9
436.13266	55.9
460.98276	19.3
469.11148	100.0
687.18982	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	687.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84642	13.1
60.84023	13.9
61.56393	13.6
69.59351	13.2
70.06580	31.3
82.55392	15.7
92.81754	17.5
106.34502	18.9
123.75463	16.7
138.44751	21.3
164.07050	18.2
170.19513	18.3
185.60077	17.2
200.07019	28.8
215.11845	21.9
243.11325	30.8
245.09306	48.8
257.09183	21.5
271.10748	32.2
287.09982	18.5
289.11838	18.0
329.73865	21.5
335.12473	100.0
566.18420	23.1
678.13580	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	687.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41821	13.5
75.10419	13.7
81.70161	16.4
88.55482	19.1
91.05493	17.6
103.44180	19.7
123.01205	16.2
127.30671	16.5
188.44984	16.8
219.10025	19.7
251.18990	18.3
674.64777	20.0
687.37274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36948	4.7
54.65323	4.2
55.05516	8.9
67.05515	15.6
69.07088	7.2
69.68463	4.7
79.05508	11.4
79.66300	5.0
81.07042	36.3
84.20669	5.3
89.06057	16.0
91.05493	17.6
93.07040	10.8
95.08611	11.3
100.58682	5.1
105.07063	8.6
109.06531	12.4
111.04455	8.9
119.08643	7.6
131.08611	13.2
133.08644	7.8
137.05962	100.0
140.35461	5.1
145.10127	6.6
147.11810	5.6
149.09668	6.9
160.23729	5.9
176.21962	6.0
181.43373	6.8
215.71970	5.7
229.87117	6.0
231.17497	6.8
246.40900	6.7
270.41031	6.5
277.17993	30.8
295.19281	15.8
351.21854	20.1
359.25919	14.1
503.80194	6.9
635.42944	19.0
635.85962	8.5
649.27948	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	688.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90376	7.8
57.07063	41.0
64.84532	8.2
64.85559	8.3
69.07025	10.6
71.08620	21.6
75.54333	9.2
85.10173	20.7
87.04461	11.7
89.06020	100.0
130.08627	25.7
133.08585	55.5
148.92223	9.9
177.11220	18.4
204.87640	12.1
226.56143	10.7
313.10907	12.2
434.89905	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	689.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22023	10.0
61.76853	8.9
70.06580	33.2
82.10846	12.0
84.16436	12.4
85.02869	17.4
86.48686	10.6
96.99532	12.1
97.02875	24.6
107.04960	83.8
108.02337	11.6
113.96430	11.0
132.95967	12.4
137.05995	27.4
138.19109	11.9
154.99057	16.5
156.73024	13.5
176.98438	12.5
181.98972	26.7
258.00531	25.6
287.03519	20.9
292.02524	12.5
328.06339	20.1
354.04181	14.2
372.05298	19.9
388.05249	11.4
413.05353	100.0
428.06311	18.0
454.07977	96.2
584.80597	12.2
620.31226	12.1
627.96259	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	689.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40978	2.0
66.99377	1.7
74.00652	3.5
79.82579	2.0
84.04491	18.4
91.05477	15.1
104.56219	2.0
107.04945	14.7
112.06919	2.2
119.04919	6.8
133.56673	2.3
141.89587	2.3
142.07858	2.3
146.43011	2.1
174.18350	2.4
194.93530	2.4
198.06822	2.8
199.07530	13.9
211.07584	8.8
213.09074	33.8
213.10933	3.0
225.05600	4.5
225.09146	30.4
226.06242	5.6
227.10580	13.9
245.02708	9.6
249.05319	2.8
257.02661	5.1
258.03427	39.9
259.04248	4.8
271.04346	5.5
437.13965	3.1
471.12582	100.0
472.12753	3.8
560.17261	12.3
602.60608	3.8
689.21606	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	689.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02062	7.1
50.47323	6.5
54.31788	6.1
57.07068	15.2
57.60647	6.6
59.27739	7.0
60.70109	7.3
67.05516	9.1
73.02917	7.3
74.10178	6.7
75.50890	6.9
81.07044	8.4
85.02914	14.2
88.27187	7.5
89.06044	24.2
91.47794	8.8
93.07069	10.7
93.56655	7.5
95.04964	7.8
133.08624	12.6
217.21199	8.7
301.11093	20.4
302.11435	18.9
505.98737	9.2
519.68219	10.7
689.38885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.5
67.05489	22.4
69.07058	24.0
71.08621	14.6
73.56748	10.5
75.13599	14.7
76.92652	9.8
79.05479	16.8
81.07043	45.5
89.06050	12.8
91.05502	14.2
93.07046	23.7
95.04985	18.0
95.08593	27.4
99.08076	20.0
105.07044	35.6
107.08591	21.2
109.06515	78.2
119.08653	24.4
121.06573	12.7
124.89841	11.1
133.10162	15.5
135.08110	12.4
159.11795	14.2
165.12738	96.9
197.24109	12.4
271.20767	13.2
289.21606	100.0
291.23218	57.5
307.22714	27.8
363.25281	24.3
501.12463	14.4
579.38293	14.2
653.15613	16.0
671.48242	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	689.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57489	5.2
89.06067	6.2
105.05189	5.4
120.40376	5.8
134.25290	7.0
153.80707	5.7
225.55515	6.3
298.68945	6.4
349.40305	7.4
460.95313	7.0
671.50165	7.6
689.51746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08258	35.2
61.83284	39.3
67.05151	42.9
73.93149	38.8
75.38211	38.4
93.74628	37.4
108.12299	44.3
148.57274	43.4
149.70409	45.3
178.04971	85.4
221.27730	50.2
267.11490	71.4
285.12576	100.0
306.06345	86.7
480.63843	51.3
556.08295	62.2
595.64624	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53959	8.7
76.28896	8.1
92.63622	8.7
94.06552	17.9
106.06557	25.3
106.65360	9.4
108.08138	15.5
117.24637	9.2
134.06055	16.0
136.07596	10.9
146.06044	18.4
148.07558	9.5
154.98096	9.9
160.03886	10.6
162.05411	17.8
172.03929	22.6
190.05016	28.2
194.07478	10.3
204.06630	38.8
213.10202	14.5
215.11836	17.9
235.08649	10.7
241.09695	16.2
243.11304	59.9
249.10146	12.9
267.07913	10.5
269.09152	24.1
285.12344	100.0
287.10324	35.3
293.09091	17.7
295.10767	19.7
303.13446	82.7
307.10989	12.2
321.08810	18.7
323.10126	13.3
337.11914	12.0
339.09772	39.0
341.11349	13.2
357.10684	14.1
386.15054	15.0
415.15091	23.4
456.16019	15.8
474.16562	64.1
488.17969	12.7
507.20181	12.8
612.82837	11.8
623.21167	54.3
641.22302	75.1
655.24036	15.0
705.01068	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85012	1.1
52.96415	1.2
56.24844	1.4
70.06580	2.7
70.91550	1.4
84.08111	1.8
94.06557	5.8
108.04548	1.7
110.06053	2.1
116.04985	3.3
122.05229	1.4
122.06042	5.8
134.06004	3.4
144.04483	5.2
146.06023	3.5
150.05548	3.1
151.11668	1.7
152.07059	1.7
160.07564	1.7
162.05473	2.7
164.07074	2.4
172.03926	18.9
184.07460	1.9
186.09169	6.6
190.04958	4.8
200.10716	2.3
202.11035	2.7
203.11826	7.2
204.06578	18.5
213.10091	3.2
214.08661	14.3
215.08223	5.0
227.11620	2.1
228.10190	4.8
229.09718	3.5
231.11302	8.1
241.09715	3.8
242.08125	3.2
248.74182	1.6
255.11284	9.2
256.09659	3.1
259.10751	82.1
273.12418	8.5
283.10770	3.7
298.01706	1.7
301.11810	64.8
302.12140	2.1
319.12869	100.0
337.13910	20.9
355.12924	3.5
673.24640	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	691.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28676	7.4
55.37820	7.2
55.83101	7.5
61.13066	7.6
62.92694	7.9
65.32227	8.5
79.05480	22.8
79.10088	8.8
80.16912	8.8
83.41579	8.8
94.06554	12.2
106.06553	13.7
120.04445	14.9
122.06034	13.8
129.97881	9.8
134.06017	11.0
157.77484	10.2
160.03952	13.0
162.05463	78.8
172.03944	29.7
190.04964	19.6
199.08717	12.2
204.06517	22.4
243.11258	42.2
259.10712	58.0
260.11353	10.9
265.09833	16.1
269.08859	10.8
285.12268	96.8
287.10254	25.5
293.09299	13.6
301.11899	43.3
303.13354	72.6
319.12747	54.1
321.08826	59.3
339.09567	14.2
357.10983	19.1
502.19595	33.9
565.06348	10.4
581.20105	20.3
605.20306	20.3
623.21204	71.1
641.22455	100.0
671.21887	13.1
690.29932	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64230	2.7
95.90685	2.9
115.24684	2.7
120.08208	3.4
122.06023	4.2
124.78094	3.0
140.81160	2.8
158.09816	3.0
172.03932	9.6
186.09169	7.9
194.65141	3.2
203.11783	10.9
204.06589	12.2
213.10262	4.6
214.08638	16.6
215.08142	7.2
228.10197	4.0
231.11316	3.8
241.09543	4.0
255.11324	6.8
259.10754	100.0
263.37112	3.6
273.12488	5.4
283.10812	4.3
301.11798	59.9
319.12872	99.7
337.13974	18.6
484.79239	3.4
674.35815	4.4
687.59772	3.6
701.85815	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	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25463	14.5
58.62599	11.8
69.48894	12.0
85.02892	22.9
97.02823	16.5
249.08839	19.7
287.33084	16.7
407.11743	18.2
472.75146	18.1
518.02386	17.9
691.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39513	9.8
53.37711	12.8
67.05490	28.2
69.07111	11.3
80.32651	12.3
91.71625	17.1
97.02878	17.0
98.09643	12.1
102.04488	13.1
130.22548	13.4
142.39943	14.7
159.07225	14.1
548.55371	19.3
691.40436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	61.3
59.07370	18.9
60.08149	16.4
67.05477	5.9
71.08610	7.3
74.04600	4.4
80.35859	5.0
81.07085	6.2
83.43449	4.2
99.73677	4.6
110.23504	5.2
125.96324	4.7
144.10190	16.4
144.19568	5.5
162.11288	6.0
236.14886	100.0
269.16534	5.4
326.13998	6.3
442.35376	10.5
460.36246	18.7
587.93207	6.2
669.57843	6.4
692.54730	86.4
700.87244	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55337	2.8
56.05027	5.0
56.59013	3.2
58.05968	2.6
66.45340	3.2
70.06585	39.5
72.08150	22.3
76.28357	2.8
76.78088	3.0
84.04469	8.4
84.08131	25.6
94.06551	9.1
97.51011	3.1
106.06538	14.0
108.08144	10.6
118.06561	4.6
120.04437	6.0
120.08084	3.6
122.06039	9.7
129.10242	14.8
134.05995	31.4
136.07553	10.2
144.04443	15.8
146.06009	14.4
149.48682	3.6
152.07063	3.6
160.03996	4.8
162.05528	8.5
164.07042	13.5
171.50833	3.7
172.03922	69.5
172.05426	4.0
174.05530	8.0
176.07039	4.6
181.09798	7.7
190.04977	17.0
199.08714	4.3
199.91974	3.5
201.10179	4.7
204.06543	80.7
213.10393	4.0
215.11829	8.2
217.80504	3.5
223.53014	3.5
225.01068	3.2
226.08748	3.5
226.10881	3.6
228.18138	3.3
236.09439	5.5
237.10350	5.4
241.09708	5.5
243.11320	29.6
246.70934	3.7
249.10204	5.1
257.12756	5.3
264.08832	5.3
265.09720	6.1
269.09314	5.0
271.10767	7.7
273.12222	4.6
285.12198	16.3
287.10312	8.3
293.09174	5.1
295.10681	7.3
297.12463	4.0
303.13348	100.0
323.10287	17.9
325.11993	8.2
330.12622	4.3
341.61737	4.1
344.14047	5.0
355.12927	14.0
358.15518	4.2
386.15060	5.7
398.15161	4.2
404.15799	4.2
414.14572	9.4
415.15314	17.3
418.17365	4.9
432.15509	11.7
456.14990	5.8
474.16641	28.5
506.19049	12.8
536.20685	4.6
583.21759	7.1
597.23346	6.7
625.22888	74.4
639.24768	5.1
657.25366	14.8
706.09521	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	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
56.05019	3.1
60.04485	1.2
64.98129	1.1
65.03925	1.5
70.06581	34.6
71.06926	2.1
72.08150	15.7
78.36842	1.2
83.06120	1.3
84.04496	6.1
84.08131	17.8
87.05605	1.5
87.06821	1.2
91.05461	2.8
91.71296	6.0
92.05031	1.3
93.07036	9.0
94.06555	4.7
95.04951	1.6
96.08131	1.8
98.46323	1.3
101.07156	1.5
103.05476	2.7
106.06552	1.8
108.08173	1.9
110.06045	2.4
110.07167	3.8
116.04977	2.9
118.06539	2.1
120.04465	1.6
120.08100	9.1
122.06006	4.9
129.10234	10.4
130.06526	1.8
134.06017	2.2
136.07568	4.1
144.04404	4.2
144.17197	1.3
146.06042	3.9
148.07558	15.1
150.05457	1.8
152.07022	1.6
158.09637	1.9
160.03998	1.7
160.07542	1.4
162.05489	1.8
172.03914	24.7
175.12350	2.6
181.09769	2.9
186.09167	6.5
187.08641	2.4
188.07176	1.4
188.09346	2.4
190.05002	4.7
198.09103	1.9
200.10548	2.9
202.10933	2.8
203.11790	8.1
204.06551	32.9
209.09160	2.8
213.10272	4.6
214.08632	12.6
215.08134	7.9
217.09634	2.9
227.11865	1.4
228.10240	5.8
229.09645	2.9
231.11281	6.7
237.10185	2.3
241.09705	3.5
242.08080	3.5
245.09204	1.7
247.10820	3.2
251.11774	3.1
255.11292	10.1
256.09622	4.7
257.09503	1.3
259.10742	100.0
260.10959	2.3
264.09039	2.2
271.10803	3.1
273.12390	7.0
279.11313	4.7
283.10748	5.6
295.10773	1.8
301.11798	74.0
302.12259	1.4
307.10745	12.7
309.12262	3.0
311.13861	2.3
319.12845	82.3
325.11798	3.6
335.12305	7.4
337.13928	19.6
339.13351	35.9
341.14865	7.9
357.14661	1.6
625.22650	2.5
652.83203	1.7
657.25226	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	693.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78000	2.8
65.75571	3.0
66.21220	3.2
66.77074	2.9
67.66831	3.4
91.71046	6.6
93.08247	3.8
93.74708	4.1
94.06557	14.6
106.06567	14.6
116.04973	4.8
119.28634	3.9
120.04446	6.3
122.06023	13.4
134.06027	32.3
136.07570	9.7
144.04472	6.5
146.05989	10.3
147.13641	4.0
161.12576	4.8
162.05482	7.0
164.07088	22.5
172.03912	29.0
174.05516	6.6
190.05035	12.4
204.06607	23.1
213.10246	6.4
215.11861	6.8
225.10356	4.5
227.11684	5.1
243.11282	26.3
265.09778	6.4
269.08932	4.6
271.10913	9.1
273.12262	7.6
283.10883	4.4
285.12262	45.3
287.10330	11.5
293.09250	6.1
297.12494	6.4
301.11740	6.6
303.13406	54.7
323.10153	26.2
325.11731	8.1
327.54208	4.8
328.85992	5.0
355.12939	7.8
370.11191	5.8
372.13483	4.9
374.15012	5.8
386.14917	8.3
399.64508	4.7
404.15503	5.2
414.14301	9.7
415.15186	15.1
432.15594	17.3
444.16400	6.3
474.16620	30.5
482.92169	5.6
506.18979	6.3
583.21765	6.7
607.21387	9.9
625.22736	100.0
639.25232	6.6
657.25513	9.4
687.05219	5.0
722.72772	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	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78716	2.6
55.36838	2.6
58.56439	2.9
64.29034	2.9
70.06575	6.9
84.04486	3.1
84.08124	4.0
94.06561	18.0
94.68480	2.8
96.04482	4.8
97.83224	3.0
102.89860	2.8
106.06555	3.5
110.06064	5.3
116.04942	3.2
120.04492	4.7
122.06030	40.3
134.05989	14.9
136.07574	59.3
140.07069	26.4
144.04475	6.6
145.66130	2.7
146.06012	5.6
152.07118	8.2
158.08156	15.7
160.03973	5.3
162.05479	5.3
164.07054	100.0
172.03918	31.5
182.08127	66.2
190.05014	11.9
204.06528	41.4
285.12347	14.4
295.10553	4.6
297.12329	3.6
303.13425	18.0
323.10342	13.0
332.04559	3.7
341.11255	10.9
355.12973	9.4
430.83331	3.3
474.16711	3.9
518.18951	5.6
538.22064	3.6
625.22803	6.3
657.25482	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	693.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78352	4.6
52.46754	4.3
52.64775	5.2
52.77127	4.3
55.81868	4.5
72.42330	5.2
83.11298	5.3
84.84420	6.0
85.20864	5.5
92.07474	6.1
94.06556	15.0
101.31373	6.5
106.06547	22.4
120.04443	9.9
122.06010	16.6
134.06004	40.9
136.07530	9.0
144.04396	7.4
146.06012	22.4
160.03992	7.7
164.07050	11.7
172.03940	31.9
174.05608	7.3
190.04933	29.0
204.06557	28.8
213.10289	8.7
225.10193	11.8
243.11067	28.9
249.10265	7.0
269.09146	8.3
271.10855	9.5
273.12436	9.6
283.10620	7.4
285.12244	53.9
287.10284	8.0
297.12247	14.1
301.11884	8.5
303.13400	56.5
307.09033	6.9
309.02841	6.6
316.14624	6.3
323.10278	37.1
386.14532	9.7
404.16037	8.5
414.14352	12.9
415.15286	17.2
432.15497	14.7
456.15247	8.6
457.26160	7.2
474.16345	31.7
506.19623	9.4
510.25659	7.9
583.21948	10.9
607.21942	15.8
625.22784	100.0
657.24921	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93604	3.3
70.06577	10.0
72.08144	5.4
77.63672	3.9
78.19038	3.8
79.05478	16.4
79.24967	3.7
84.08145	10.8
91.70977	7.9
94.06570	10.0
95.64443	4.1
106.06561	26.3
108.97533	4.9
110.06007	5.4
120.04454	6.4
120.08105	4.6
122.06038	11.4
134.06056	20.9
136.07530	23.9
140.07104	10.3
146.06000	13.0
148.07597	10.9
150.09186	4.8
152.07074	23.8
158.08112	5.8
160.07617	4.6
162.05490	100.0
164.07080	31.9
166.08629	94.1
169.72260	4.7
172.03891	10.5
180.06604	21.4
182.08162	19.8
190.04964	11.0
197.10706	5.1
198.11569	4.6
204.06670	10.3
211.12314	13.8
218.08061	6.9
223.12109	5.2
225.10152	10.4
235.08496	6.2
237.10313	17.9
238.11011	11.3
239.11804	9.3
249.10217	13.7
250.10896	7.9
251.11815	16.0
252.09215	5.1
252.12564	6.0
253.13394	6.4
255.71262	4.3
256.12119	9.4
263.11679	20.7
264.08865	6.9
265.13477	7.3
266.10529	9.2
267.11267	16.4
269.12729	7.0
279.11349	35.5
280.12030	6.0
281.12799	13.4
283.10907	4.7
284.11435	6.5
285.12415	28.4
287.13892	8.6
291.11295	11.2
293.09283	8.7
293.12692	13.0
295.10858	5.8
297.12231	38.8
298.13171	15.3
299.13864	6.6
309.12418	19.3
311.10352	5.6
311.14124	7.5
319.10712	10.5
321.08762	9.1
323.10269	10.1
323.16013	9.7
325.11719	8.4
327.13403	6.8
337.11740	57.7
339.09418	6.8
398.15189	6.1
401.13354	5.5
418.17664	7.1
444.15323	6.7
446.16653	7.6
458.17252	11.1
460.18546	11.3
464.18164	9.9
476.18143	16.5
478.19653	75.3
486.16556	49.0
504.17560	75.0
505.18567	6.6
518.19354	7.7
522.18628	6.4
536.20270	56.7
607.21771	7.5
625.23090	13.5
643.23999	19.8
661.25305	21.9
698.50378	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	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	87.9
72.08157	41.2
73.08537	5.6
84.04518	26.2
84.08128	44.9
92.12743	5.1
94.06573	8.9
106.06557	15.8
108.08109	9.2
110.07170	12.1
111.58068	6.1
129.10280	24.6
132.04491	10.2
134.06065	18.3
136.07610	18.2
144.04373	6.5
146.06000	28.4
150.09180	8.1
152.07045	44.7
160.03943	100.0
162.05495	43.4
164.07092	11.2
166.08644	75.4
166.09975	7.1
172.04042	16.5
190.05060	17.7
204.06659	26.7
212.09531	8.0
220.09821	8.6
223.08696	6.9
225.10291	12.2
226.86270	5.7
237.10321	17.3
239.11824	12.3
249.10269	14.6
251.11909	8.9
263.11658	27.7
265.09955	10.7
265.13409	11.6
266.10617	8.4
267.11371	16.4
277.09872	5.9
279.11389	27.0
283.19141	8.1
285.12277	10.4
291.11276	12.1
293.09320	40.1
293.12488	10.8
295.10980	10.1
297.12482	20.4
298.13232	8.3
299.14194	6.4
309.12280	37.6
311.10538	10.6
319.07239	15.7
319.10806	10.0
319.52673	6.9
321.08887	16.0
325.11798	12.8
337.08017	10.2
337.11816	54.3
339.09930	9.4
342.12585	9.0
351.09979	14.6
356.14059	8.4
369.14691	10.9
371.12390	7.2
382.15161	7.1
400.16718	9.3
403.54794	6.5
428.16089	17.7
430.17630	12.1
440.16272	8.9
446.17459	9.2
456.15536	15.3
458.17203	25.1
460.18954	11.1
476.18430	9.9
478.19751	16.2
486.16592	61.1
488.18195	17.6
500.17929	8.4
504.17728	31.5
506.19119	17.6
518.19281	69.1
536.20178	31.7
625.23157	14.3
643.24200	38.5
675.26489	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	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37557	3.2
55.05504	5.4
56.05029	4.4
65.51495	3.4
67.39214	3.2
69.40935	3.2
70.06583	65.3
72.08153	36.0
84.04499	16.2
84.08133	39.0
90.48539	3.8
106.06567	8.5
110.07158	6.4
112.07627	5.5
117.37849	4.7
126.72137	4.7
129.10248	25.1
132.04439	12.6
134.06006	15.9
136.07590	7.7
144.04337	4.8
146.06001	12.5
148.07532	5.3
152.07082	31.1
160.03918	100.0
162.05518	18.1
164.07086	7.4
166.08574	24.1
172.03937	31.2
176.09743	5.3
181.09732	6.4
190.05008	5.6
201.84149	4.3
204.06570	38.3
224.13496	4.3
236.09554	6.0
237.10201	6.5
249.10297	6.9
253.09613	6.2
263.11777	13.0
265.13318	5.8
267.11087	5.3
279.11395	12.1
280.16553	7.4
291.11298	6.3
293.09198	13.7
293.12512	8.8
295.10947	6.1
297.12378	10.0
309.12405	12.1
321.08817	5.9
337.11868	18.2
351.09750	33.4
352.14429	4.7
357.14713	8.1
369.14468	11.9
398.14844	5.3
413.99518	4.6
456.15204	6.3
458.17090	14.1
460.18637	5.5
462.76135	4.8
474.16306	6.2
486.16513	33.4
488.18369	7.4
504.17422	8.0
518.19141	44.6
536.20404	30.3
544.67139	4.5
625.22461	13.1
643.23859	7.9
675.26581	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	693.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01070	1.1
52.12278	1.0
59.56934	0.9
80.84873	1.2
91.71127	1.4
94.04186	2.9
102.96095	1.1
122.03658	6.3
124.94946	1.4
137.05978	100.0
181.03438	2.6
195.05058	3.0
198.57431	1.5
204.02797	1.5
204.04903	1.5
218.06671	2.6
219.05035	7.1
222.03847	1.8
236.07663	1.4
237.06078	10.8
241.81902	1.3
245.05334	2.9
260.07660	23.7
388.19821	11.5
406.20724	4.1
429.22327	28.8
462.08853	1.6
506.95755	1.7
629.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83114	7.1
67.66887	6.4
69.64834	8.0
75.88335	7.8
93.92055	6.9
93.92713	7.7
103.70732	7.5
110.49691	7.6
122.28298	7.9
167.46321	7.8
197.83173	8.3
200.39972	8.3
217.09422	8.2
310.78223	9.0
335.18600	15.4
391.20966	12.4
693.43384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33027	1.9
67.05509	2.2
97.93964	2.3
102.75828	2.3
132.29507	2.2
151.51355	2.3
526.70880	3.4
693.45520	100.0
694.45660	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	693.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32803	4.7
52.78249	4.1
73.71075	5.8
121.25307	5.1
131.27168	5.4
161.52202	5.3
167.21831	5.3
244.59966	5.7
264.28171	5.8
267.44800	5.7
356.35953	5.9
547.90643	7.5
693.47534	100.0
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
53.00300	2.3
55.05512	12.1
57.03420	8.0
57.07073	3.5
61.02915	23.2
64.28320	1.9
66.31622	2.3
67.05495	88.8
69.03416	7.4
69.07054	9.9
71.04980	2.7
72.32712	1.9
73.02911	8.8
79.05485	32.2
79.19836	2.0
81.07047	100.0
83.08620	10.2
85.02898	40.5
86.09789	2.0
91.03940	24.9
91.05470	26.7
93.07034	62.1
94.42056	2.0
94.71911	2.0
95.04965	4.2
95.08595	68.5
97.02869	18.2
97.06546	3.1
97.10155	2.8
105.07029	22.1
107.08583	42.8
109.10151	40.2
109.10867	3.1
117.07012	10.1
119.08581	16.0
121.10134	36.9
123.11706	20.8
127.03914	8.4
131.08530	21.1
133.10124	16.0
133.84872	2.4
135.11688	28.0
137.13266	8.6
143.57112	2.2
145.04918	11.3
145.10115	14.5
147.11700	14.8
149.13240	20.2
151.11162	4.1
151.14787	2.4
159.11661	11.7
161.13255	10.7
163.06026	12.4
163.14781	17.5
173.13269	14.9
175.14801	5.2
177.16336	6.1
187.14835	7.5
233.22614	3.7
243.21013	27.6
261.22101	84.8
279.23196	4.6
305.85355	2.2
307.80634	2.4
317.24811	2.4
335.25793	28.0
353.26843	39.9
407.32434	2.6
497.31070	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58494	8.2
57.03457	9.8
57.16285	10.0
61.02931	22.5
64.66631	8.7
67.05491	86.5
69.07061	10.4
73.02899	18.6
74.30040	9.8
77.32291	9.9
79.05508	28.0
81.07048	92.9
83.33420	8.9
85.02928	37.4
91.03986	24.7
91.05501	35.4
93.07053	50.9
95.08587	68.3
96.69760	9.2
97.02906	23.3
105.07079	12.7
107.08606	48.6
109.10204	30.6
109.42387	11.0
117.07011	14.9
119.08560	12.7
121.10208	32.6
123.11774	18.6
131.08624	21.6
133.10158	25.3
135.11737	19.0
145.10155	12.7
149.13315	21.6
155.06523	11.4
159.11800	11.8
163.06084	19.3
163.14830	16.7
202.19102	11.4
218.19876	10.6
243.21169	36.3
261.22116	100.0
263.80191	11.2
308.44516	12.9
335.25565	14.9
353.26965	47.7
368.82458	13.4
422.91187	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	694.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48428	7.0
58.06597	62.9
59.07367	16.6
60.08156	14.8
60.34260	7.1
81.07041	13.2
91.05491	14.5
91.71677	9.7
97.65140	9.4
101.74763	9.2
108.89849	10.1
109.10122	9.3
120.85837	10.2
144.10226	27.5
187.00946	9.9
236.14903	100.0
264.02423	9.8
306.99823	10.6
626.41040	12.3
694.53339	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41057	1.3
62.12310	1.2
62.61221	1.3
69.92526	1.3
70.06596	7.8
72.08144	3.6
74.06082	1.6
79.05478	5.5
82.06589	1.5
84.04504	1.7
84.08121	5.8
91.05466	2.1
94.06542	9.1
106.06549	18.2
108.08089	11.1
113.09952	1.3
116.05009	4.3
118.06498	1.7
120.04469	3.6
120.08148	1.7
122.06017	7.3
129.10249	3.3
131.96613	1.7
132.08157	1.7
134.06009	31.3
136.07570	13.8
144.04449	8.9
146.06006	16.7
148.07571	7.7
150.05531	4.4
150.09134	23.3
152.07059	30.8
152.66434	1.8
160.03891	2.8
162.05496	31.5
162.09033	1.9
164.07088	13.4
166.08620	35.6
172.03922	51.3
172.05428	2.7
174.05531	3.6
180.06641	3.5
185.07220	1.6
190.04993	15.1
193.24605	1.5
194.08142	1.9
198.11568	3.8
199.12338	2.8
204.06546	100.0
206.08089	2.0
209.10706	3.3
211.12296	3.8
222.07906	2.0
223.12308	3.1
225.10202	4.8
226.10986	2.4
227.11842	3.3
236.09579	3.4
237.10248	10.4
238.11017	6.2
239.11847	9.6
243.11115	1.7
248.09343	2.5
249.10149	7.5
250.11002	5.6
251.08040	3.2
251.11821	12.7
252.12560	4.5
253.09798	2.4
253.13342	2.9
255.11354	3.4
256.11945	2.8
259.14355	1.9
263.11725	16.5
264.08948	3.4
264.12570	2.4
265.09653	6.3
265.13318	7.6
266.10529	2.0
267.11453	7.2
269.12845	4.8
271.10934	3.2
277.09702	2.1
278.10431	3.2
279.11224	18.2
280.11963	2.7
281.12833	5.2
283.10742	3.0
284.11484	2.5
285.12341	11.8
287.13852	7.3
291.11185	8.8
292.12158	3.0
293.09256	7.9
293.12848	8.5
295.10712	26.6
296.11554	3.2
297.12283	25.2
298.12909	3.4
299.13889	3.5
309.12271	18.5
311.13916	3.7
313.11829	2.3
316.14529	1.9
319.10611	8.0
321.08826	10.6
323.10391	5.0
323.16174	3.4
325.11771	9.2
327.13455	5.6
328.13898	1.8
337.11777	31.3
338.11984	2.1
339.09637	3.3
339.13272	4.0
353.11282	58.3
355.12964	3.2
357.14539	4.8
369.14517	6.3
371.12442	4.9
371.16763	2.6
420.19202	4.6
446.17068	3.1
448.18848	2.7
460.18524	5.4
462.20078	6.0
488.18173	46.2
489.18420	3.1
506.18945	10.7
520.20746	57.9
521.21387	2.7
538.21674	17.0
609.23480	7.8
617.25781	2.2
627.23932	5.5
641.25714	3.4
645.25745	12.2
659.27417	2.0
677.28229	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	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52968	4.2
53.03198	3.9
55.95897	3.2
58.46408	4.1
63.12712	4.2
64.02007	3.4
68.10275	4.0
72.89545	4.6
74.97477	3.8
94.06557	14.4
102.42674	4.2
105.47665	4.0
106.06540	21.3
108.08107	12.1
120.04411	5.8
122.06035	21.5
124.07592	5.6
129.62379	5.1
131.13713	4.8
134.06010	41.3
136.07584	18.6
144.04378	8.0
146.06001	28.4
148.07587	14.6
150.05511	5.6
150.09128	18.0
152.07039	35.1
160.03952	5.8
162.05490	24.8
164.07072	30.7
166.08607	100.0
166.09933	5.0
172.03957	26.0
190.04991	22.4
198.11612	7.4
204.06586	38.5
209.10799	6.4
211.12398	11.6
225.10167	10.4
226.11009	6.0
227.11888	5.8
233.55843	4.7
236.09502	6.8
237.10223	21.7
238.11086	10.0
239.11803	15.7
246.07608	6.4
249.10283	10.1
250.10909	7.8
251.11777	8.8
252.08861	8.1
252.12383	6.3
253.09615	5.7
253.13448	9.2
263.11673	30.0
264.12625	6.8
265.09845	11.7
265.13293	8.0
267.11255	16.1
268.75934	5.2
269.12961	12.7
271.10919	6.5
271.14307	5.8
279.11325	38.6
280.12143	8.2
281.12747	10.0
283.10901	7.2
284.11520	6.5
285.12277	13.0
287.13831	6.0
291.11243	22.2
293.09442	5.8
293.12802	24.7
295.10779	65.6
296.11691	6.0
297.12320	40.4
298.12967	9.8
299.13864	10.4
309.12366	32.4
313.11942	5.9
319.10809	19.5
321.08670	16.3
321.12234	6.9
323.10397	22.9
323.16013	6.9
325.11737	10.8
327.13379	6.4
337.11792	83.8
337.15527	3.8
341.11249	6.1
353.11447	14.7
402.18085	8.3
425.14236	6.6
448.18591	8.0
460.18573	11.1
462.20251	29.4
488.18027	71.1
489.18167	6.9
506.19223	20.1
520.20728	20.7
538.21631	7.9
609.23279	10.7
627.24432	9.7
645.25317	37.6
677.28430	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79247	6.7
53.37494	7.5
53.94616	7.4
58.20517	5.7
59.23318	6.3
60.40941	7.4
68.91076	6.8
70.06587	21.0
79.05471	7.5
84.25093	7.0
91.05434	9.5
91.27770	8.0
91.71314	14.3
93.07050	27.1
94.06561	13.9
104.72443	8.3
106.06544	12.3
107.42696	7.8
108.08086	9.7
120.08094	28.7
122.06044	18.1
125.26984	8.9
134.06020	13.6
136.07552	16.4
138.05537	8.4
140.07072	14.0
146.06030	27.2
148.07542	88.8
164.07140	19.6
166.08640	31.0
172.03889	46.0
190.05034	13.1
204.06569	63.2
219.97379	8.2
225.10428	11.4
235.59674	8.9
237.10210	11.9
249.10201	11.6
250.10890	11.2
251.11830	14.8
255.11420	11.9
263.11752	15.0
265.13608	11.5
277.09454	9.7
279.11374	17.6
281.12866	30.9
297.34705	13.1
307.10645	17.3
313.11801	10.7
325.11810	27.7
339.13379	100.0
387.09973	11.5
460.18530	40.3
488.17963	29.5
492.21249	68.8
514.91595	11.0
520.20410	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	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00836	9.6
73.83806	10.1
74.00661	17.3
76.02249	9.5
76.04003	28.2
80.04951	10.7
84.04495	100.0
85.02894	18.2
91.71022	14.1
103.03905	24.1
120.08099	25.2
121.06489	19.9
127.03883	16.7
130.05023	59.4
131.04535	13.1
140.07120	12.6
141.26176	11.3
142.03177	14.7
146.06053	28.0
148.07593	50.9
149.08443	10.2
162.02177	12.6
164.55811	11.8
166.05016	14.0
166.08592	28.1
170.96597	11.5
172.03915	20.5
177.03357	21.3
204.06641	39.2
214.33789	13.0
231.04329	12.8
235.02040	13.4
243.04276	14.7
265.09674	14.6
267.11639	12.8
281.12839	20.2
282.09879	15.9
289.04974	20.3
303.13446	14.7
307.10788	19.7
309.97372	12.5
339.09686	15.5
339.13492	37.0
358.12103	13.6
460.18634	20.0
488.17911	38.6
492.21313	31.7
502.19611	25.4
506.19006	19.1
520.20624	27.7
570.22858	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91309	4.7
54.85589	4.6
55.05522	6.4
58.06600	6.0
70.06581	59.2
70.14079	4.5
72.08141	36.0
77.61079	4.8
83.06100	6.4
84.04479	11.2
84.08140	44.7
89.52569	7.8
93.07032	6.6
93.96963	4.9
94.06596	8.6
96.08105	6.1
106.06560	22.0
108.08175	9.1
120.04450	7.2
120.08116	18.5
122.06037	10.6
122.09660	18.8
129.10255	21.2
136.07564	10.5
148.07552	53.6
150.09204	9.2
152.06941	6.2
164.07063	12.3
166.08623	100.0
172.03999	9.7
177.13440	6.7
178.05031	16.5
181.09698	7.2
182.08063	6.9
185.26178	6.1
196.06064	10.0
204.06563	15.0
225.10159	6.8
226.12402	10.2
226.15344	7.6
227.11641	12.2
244.61899	7.2
255.11293	14.6
265.09827	6.5
269.12851	10.3
273.62964	6.6
285.12735	8.5
287.13831	9.2
305.14795	8.5
312.87274	6.9
313.11862	18.0
323.10318	17.5
339.09503	10.6
372.17255	7.5
428.16202	11.7
446.17090	8.9
459.96124	6.7
460.18661	10.8
480.21204	7.0
538.21930	8.7
565.34387	6.7
585.23706	6.7
609.23383	7.6
627.23663	9.6
632.51526	6.9
645.25470	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	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.3
61.02929	25.6
62.65643	9.1
67.05493	80.6
69.07076	24.4
79.05477	11.4
81.07054	100.0
81.78862	9.6
83.08642	22.3
85.02917	32.1
91.03964	15.4
91.05476	16.1
93.07066	25.2
95.08612	87.1
97.02906	15.7
99.72916	11.0
100.85851	13.9
107.08630	17.1
109.10194	33.3
110.15412	11.2
113.72256	10.9
121.10158	15.0
123.11763	28.3
124.53631	11.7
130.80038	11.7
133.10146	11.9
145.05077	13.2
165.16443	20.8
166.74266	12.9
193.48053	12.2
245.22729	38.6
263.23853	62.2
337.27408	40.7
517.31470	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	697.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83229	5.6
67.05478	5.9
69.54208	7.8
70.06569	8.4
72.08099	7.6
81.07012	8.0
91.71249	14.5
94.94510	7.1
105.88396	7.6
108.08134	9.0
122.05967	9.8
134.06035	10.2
146.06047	12.6
152.07047	10.0
172.03940	13.3
204.06540	14.5
213.10121	8.9
215.11858	10.9
217.88245	8.5
225.10390	11.6
241.09787	12.7
243.11343	36.6
251.08145	11.5
253.09709	10.8
263.08173	10.2
265.06009	9.1
269.09525	9.7
276.80518	7.9
279.07584	11.7
281.09039	9.8
283.10873	15.0
285.12289	46.3
287.10272	25.0
295.10751	8.8
301.11847	9.6
302.91116	8.5
303.13385	100.0
309.08652	34.1
311.10358	12.7
313.11606	13.5
327.09586	10.5
328.80624	9.5
341.11111	10.6
593.19409	13.5
611.21265	70.2
625.22516	11.7
643.22968	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	697.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53590	4.6
55.05520	19.3
60.61306	4.5
70.06581	29.3
72.08126	8.5
79.35699	4.7
83.08644	11.0
84.04525	6.6
84.08142	6.5
100.07635	9.9
100.11250	100.0
100.11825	7.5
102.33537	4.8
106.66932	4.9
111.04430	8.1
112.58675	5.4
128.07175	8.0
164.07053	54.9
182.15390	27.2
209.16629	12.8
210.14842	38.3
219.48283	5.5
267.05453	5.5
272.15814	7.1
498.19507	6.9
697.52240	80.7
698.16693	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	698.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.5
55.05504	2.9
57.07065	80.7
60.51149	2.5
61.93160	3.1
70.55048	2.6
71.05321	3.0
71.08654	3.1
72.77419	3.1
73.06559	4.5
87.04483	10.2
89.06017	91.0
89.06519	6.3
96.25281	2.9
117.09062	3.5
119.08588	3.6
126.14588	3.2
130.08641	26.2
131.27791	3.0
133.08586	68.6
133.10149	4.7
141.00974	5.5
143.02673	6.2
147.11691	3.7
152.03970	5.5
155.02596	17.0
169.04248	9.3
175.11278	5.5
177.11227	25.7
183.05811	12.6
184.02914	7.8
184.07408	4.6
186.30923	3.8
197.07529	6.0
199.05391	4.2
221.13910	7.1
267.15063	100.0
268.15555	5.0
278.31610	3.9
283.17667	4.2
311.17700	39.0
349.85785	4.6
355.20248	23.2
399.23553	4.9
681.39752	11.2
698.42114	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	699.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25410	4.4
70.06577	8.3
73.17659	5.3
82.24203	5.4
102.19807	5.3
114.03367	5.2
120.08110	6.3
124.18105	5.2
125.55981	6.6
206.51443	6.6
238.10855	6.1
343.12476	32.2
369.10461	9.9
379.12665	13.1
380.03775	6.5
404.96741	6.0
537.90857	6.6
649.22546	20.8
667.23700	100.0
681.25391	9.9
699.26270	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	699.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53890	16.8
67.30610	16.7
68.63325	18.9
69.67615	18.6
70.06571	53.4
72.80190	18.3
73.01620	18.6
84.08119	22.8
88.95948	18.5
99.22585	25.2
100.11248	23.8
118.70434	24.4
129.10272	40.2
164.07219	21.9
166.08638	100.0
169.69333	24.1
178.81940	25.7
237.10184	24.1
237.51045	31.4
241.88364	25.4
448.18823	27.9
474.16602	91.1
506.19073	43.4
653.93121	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84731	15.7
70.06576	50.4
120.08112	19.4
125.38596	18.6
136.07565	28.7
146.05937	26.4
148.07558	20.7
152.07082	28.9
164.07069	31.7
166.08577	100.0
204.10864	30.4
227.11966	23.9
233.16992	19.1
256.19400	23.3
274.13800	21.1
279.11063	31.2
297.12393	29.5
309.08914	24.7
311.13861	26.5
318.26907	24.6
354.82187	22.7
363.12372	24.7
446.16827	28.3
448.18823	23.4
474.16476	81.3
506.19138	64.3
546.50238	23.3
595.21411	34.6
631.23657	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79618	2.7
105.14269	2.5
109.71214	2.5
132.86688	2.9
248.78503	2.9
267.14133	3.2
274.60324	2.9
537.30176	16.3
617.92548	3.5
699.35590	100.0
700.35510	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94164	2.1
54.69748	2.2
58.36259	2.1
71.59167	2.2
78.17732	2.4
81.07056	2.7
88.75051	2.6
96.65836	3.4
101.50903	3.4
118.93121	2.7
130.58582	2.4
137.91786	2.9
138.88026	2.6
140.35007	2.3
143.50754	2.9
145.10297	2.7
196.65602	2.8
232.41818	3.1
233.41611	2.8
348.10123	3.1
365.10910	3.7
537.30688	15.9
623.72272	3.0
699.35559	100.0
700.37006	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	700.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55107	5.6
58.06596	59.2
59.07359	9.7
60.08143	12.6
63.05303	5.5
66.23828	5.7
66.33224	7.4
77.47607	6.6
117.65609	7.1
144.10201	24.5
145.10121	9.7
207.82530	7.8
236.14906	100.0
346.01746	8.2
474.37866	13.6
687.13800	11.2
700.50037	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98419	3.2
55.05487	4.8
55.75219	3.3
57.07080	3.7
58.06591	50.0
58.74245	3.2
59.07364	14.7
60.08160	10.6
63.40968	3.7
63.56819	3.1
66.26240	3.4
67.05499	6.2
79.05499	8.5
81.07046	6.7
85.02915	4.3
91.05482	6.9
93.07049	12.1
110.91836	3.6
144.10223	18.5
184.89377	4.4
219.65961	5.3
227.26186	4.2
236.14943	100.0
265.78992	5.0
311.80734	4.8
316.15332	5.9
450.31931	10.2
454.31839	5.6
468.33264	19.1
608.83820	5.3
694.49548	5.5
700.51630	66.3
701.51239	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	701.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08063	11.1
50.20802	12.8
60.62414	11.5
70.09568	12.0
78.32780	14.8
79.38388	14.2
86.09619	16.4
157.89099	17.6
158.92351	17.0
167.68686	18.6
183.35248	16.8
340.78433	21.6
391.66342	21.1
404.09131	21.7
416.09348	27.7
448.11606	33.1
544.18097	27.4
666.87909	24.5
701.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41029	22.9
62.28135	21.6
80.39865	27.6
86.09772	26.1
91.71751	33.7
112.34250	27.3
179.05675	38.6
286.73615	37.2
384.43622	34.0
451.62515	37.7
534.46204	35.7
669.24701	90.1
701.27545	63.7
701.49152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03775	4.3
51.64005	4.4
55.63408	4.1
56.27199	5.2
78.29484	4.8
148.03712	10.4
179.05521	31.6
187.47957	6.2
188.06796	7.8
235.12633	5.6
321.12051	8.2
327.13361	6.8
345.14246	14.2
380.17514	6.5
466.17285	8.6
472.18842	6.3
474.21631	6.6
494.16077	11.2
512.17957	10.8
651.24243	16.3
669.25293	100.0
683.27161	6.7
701.27954	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	4.8
72.97998	3.9
110.85056	4.0
114.63898	4.4
148.03661	10.3
179.05511	43.2
180.06267	5.0
188.06792	12.8
235.12296	5.8
251.63985	4.4
303.10828	5.7
317.70950	4.5
321.12076	5.2
466.17249	10.0
468.18066	4.9
472.18689	5.8
494.16025	8.5
544.19818	11.2
651.23810	14.7
669.25232	83.6
673.88690	5.0
683.25409	16.8
701.27856	100.0
701.49200	16.1
702.26947	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	702.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	13.4
65.03949	5.5
70.06577	35.1
71.08621	5.3
74.69460	3.7
86.09713	4.6
88.07606	27.8
101.77439	4.3
102.09187	25.3
107.55257	3.7
108.64498	3.9
149.02332	100.0
149.03395	6.6
173.75053	3.8
191.49930	3.8
193.04942	42.3
203.78001	4.5
219.11226	5.2
237.07506	6.0
256.26318	61.5
278.04565	4.3
300.28955	12.9
341.06573	4.8
385.09317	19.0
403.10275	16.7
429.11584	19.0
473.14487	14.2
540.74091	4.9
702.26978	7.8
702.38336	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	702.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90065	7.4
57.07072	11.0
58.06550	7.3
70.06581	36.8
70.10843	6.6
71.21545	6.8
74.00156	6.4
74.55525	5.9
78.10349	7.1
88.07616	27.6
88.70010	7.5
102.09167	17.5
102.64411	9.2
109.09042	7.8
114.06279	8.3
129.14632	8.6
135.41061	7.4
149.02328	100.0
149.03423	17.0
149.56059	8.7
193.04996	36.6
197.68008	9.3
210.64426	9.2
256.26300	56.0
341.06436	12.4
403.10056	10.6
429.11661	11.3
429.55298	10.2
473.14310	12.9
563.08240	10.7
702.38287	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82641	36.3
66.88364	36.2
77.61406	37.7
184.00414	43.1
582.10193	69.2
702.47864	100.0
703.15234	55.5
703.48779	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20883	4.9
57.34987	4.3
60.27770	5.4
63.11197	4.9
90.19886	4.7
91.46326	5.0
95.59058	5.2
102.34696	6.1
116.54031	5.0
155.06915	5.9
171.06207	6.0
199.09528	6.8
408.35025	5.6
545.91638	6.5
703.37720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07237	9.0
57.07042	8.8
58.06598	81.3
58.23352	8.9
59.07375	18.3
60.08143	21.7
60.95545	7.6
67.05463	9.9
72.19241	9.0
85.84660	8.8
104.19393	8.4
125.97743	13.8
126.23396	12.0
128.01524	10.4
144.10211	25.7
188.15498	9.6
207.09386	9.9
236.14906	100.0
286.86682	10.7
324.54413	13.9
344.48944	10.6
603.70636	11.5
704.54547	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	705.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	17.7
73.03192	8.5
77.75343	7.0
91.71622	8.3
113.65102	7.8
132.96416	9.5
134.06068	26.6
136.07593	15.3
137.06007	16.1
164.07063	100.0
208.26459	9.3
213.10268	31.9
220.33670	8.7
221.56323	9.1
224.09158	70.2
241.09708	51.2
272.11697	10.8
273.12473	15.2
280.67673	9.7
300.10938	45.9
301.11798	56.3
366.58652	11.2
438.08481	12.2
446.17337	17.1
464.18225	33.9
627.68408	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	705.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24288	3.6
58.06594	10.6
64.29749	3.7
66.40861	5.0
68.60832	4.2
81.94268	4.4
93.52631	4.3
100.52972	4.9
109.55367	4.4
189.50955	6.0
236.14877	6.8
266.39307	5.2
689.40002	5.5
692.03528	6.2
705.48608	100.0
706.49194	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	706.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40459	0.3
56.17002	0.3
57.78539	0.3
61.01144	3.4
61.07395	0.3
69.17023	0.3
70.41138	0.3
74.50871	0.3
75.02709	2.0
91.34724	0.4
91.52155	0.4
97.02872	1.3
128.74854	0.4
136.06180	100.0
137.04588	0.4
137.06535	0.5
145.03183	1.3
153.11200	0.5
163.04230	1.6
231.19873	0.4
298.09656	21.5
299.10089	0.6
339.95596	0.4
648.35242	0.4
689.86230	0.4
721.82666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18201	4.2
55.02249	3.9
57.03433	5.2
57.07061	8.8
58.06590	66.0
59.07369	17.0
60.08151	17.0
74.81893	4.3
78.07264	4.1
79.05427	4.7
87.04456	15.6
91.05470	4.8
91.71019	9.4
97.60611	5.1
105.07011	4.8
144.10197	19.5
184.07372	5.8
220.11615	5.2
236.14919	100.0
304.31650	5.0
316.59009	5.0
355.12656	5.0
456.37326	8.1
474.38159	9.8
486.64969	6.2
628.32941	5.8
706.52380	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.5
57.07077	11.5
58.06595	53.4
58.06844	5.5
59.07384	15.4
60.08168	13.5
67.05511	10.2
68.02715	4.7
69.00038	4.8
71.41642	5.9
77.53085	4.9
78.30662	4.6
80.36227	5.1
81.06992	5.1
86.09687	7.8
87.04491	12.2
113.09142	5.0
131.85194	5.0
144.10260	19.6
147.77245	6.3
184.07458	15.8
220.45262	6.0
236.14893	100.0
262.50958	5.9
456.36838	7.5
474.38025	11.2
628.59729	6.7
706.52802	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
57.03434	5.3
57.07082	6.8
58.06595	61.6
59.07374	13.6
60.08155	15.1
60.08362	1.4
67.05508	7.0
69.07079	2.1
71.08644	2.6
72.96220	1.7
75.04478	4.6
79.11953	1.6
81.07077	5.0
84.26926	1.6
85.02915	1.8
85.10178	3.7
86.09745	2.1
87.04494	7.4
88.03201	1.8
91.05502	2.5
91.71104	2.9
91.71581	3.7
93.07070	4.1
95.08631	6.8
100.11250	2.0
115.35382	1.7
117.41697	1.7
124.95277	1.6
128.69780	1.7
144.10211	19.3
144.85336	2.1
162.11307	5.3
175.23343	2.2
236.14915	100.0
428.33887	5.3
441.30862	2.2
446.34625	15.9
496.36685	5.7
513.77936	2.4
539.25055	2.5
706.56232	77.6
707.56592	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	707.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70981	8.1
51.45468	6.8
59.32964	8.4
67.53693	8.7
70.06610	14.7
140.08708	9.8
163.38213	10.1
172.03888	11.7
259.10764	73.0
301.11755	62.9
319.12827	100.0
337.14053	27.4
550.21625	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	707.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96592	2.9
52.51625	3.3
55.57062	3.0
61.45971	3.4
62.43309	3.8
70.06609	5.1
80.26325	3.7
86.10366	3.8
89.06127	3.8
94.06587	9.3
106.06609	8.0
114.23515	4.2
120.04493	5.6
122.06068	9.8
134.06012	23.9
144.04523	7.9
146.06007	4.9
146.27646	5.0
150.05554	4.5
152.07079	6.7
160.04054	4.6
162.05518	4.4
164.07184	12.4
172.03972	16.7
174.26334	5.1
196.03799	5.1
203.12024	4.3
203.98788	4.6
204.06641	18.9
213.10179	7.0
214.08713	7.4
225.10417	5.1
237.10402	13.6
239.11862	8.0
243.11229	4.6
251.11888	8.9
253.09796	9.1
255.11359	6.1
259.10757	58.3
261.10242	5.2
263.11850	4.6
265.09723	7.7
267.11194	9.8
271.10995	6.3
273.12274	7.7
278.10641	5.0
279.08133	9.0
279.11392	12.3
280.11685	4.8
281.12930	6.4
283.10843	12.0
285.01196	4.8
285.12341	7.9
293.09351	7.2
294.09995	5.4
295.10788	7.0
301.11792	45.2
303.13525	7.3
307.10971	7.3
311.10367	11.4
319.12897	59.0
323.10251	7.5
324.11179	7.2
326.12714	5.7
327.13696	12.0
335.10272	10.2
337.13864	7.4
339.09659	9.8
339.13318	59.4
354.12213	14.8
355.13080	15.5
367.12888	30.3
386.15335	5.2
432.15952	5.4
445.15274	5.2
448.18448	5.3
486.16663	9.9
490.19775	9.2
518.19165	100.0
519.19409	9.5
536.20258	5.7
550.21741	65.8
568.46814	4.7
625.22607	17.7
636.03467	6.2
643.24011	10.3
685.52454	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57266	6.3
62.57592	8.0
65.03342	6.2
73.45184	7.1
76.33956	7.7
91.70988	13.6
94.06586	11.2
112.54588	7.9
122.06017	12.3
146.06087	13.6
166.08591	9.6
172.03876	11.9
180.70854	8.4
204.06570	13.7
205.12909	8.5
229.09621	10.7
259.10870	12.8
273.12360	14.5
287.31238	9.8
333.14426	100.0
339.13336	21.3
351.15515	10.5
354.12338	10.0
440.36160	10.4
518.19067	19.8
550.21613	11.5
639.24170	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	707.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22646	32.2
99.46072	42.7
105.52091	35.6
134.06033	45.0
164.21849	39.0
199.85506	38.3
206.98157	38.8
339.09018	39.0
339.13046	50.3
359.88849	40.4
408.02771	48.2
431.67563	52.5
446.59598	45.6
550.21545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76546	8.9
63.42754	10.6
70.42259	11.3
81.53323	9.1
82.09624	9.6
86.36216	10.3
87.95186	9.8
92.66309	10.0
94.01138	9.6
98.61601	10.7
114.12182	10.5
120.09151	10.5
125.29197	12.2
157.02505	10.9
707.47070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59381	0.7
56.05026	0.9
58.86195	0.6
60.08152	8.2
63.63253	0.6
69.07072	0.8
70.34513	0.7
71.07365	2.9
86.09697	42.3
98.98462	2.8
104.10740	2.6
124.99996	24.0
184.07333	100.0
237.79623	0.8
300.14880	0.8
486.49060	1.0
565.68945	0.9
682.83575	0.9
708.47742	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	708.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06801	6.2
57.07069	95.5
66.26682	3.4
71.08648	3.4
79.72097	3.2
82.05606	3.0
86.08776	3.2
86.09702	3.9
87.04462	35.8
88.16891	3.3
89.06025	100.0
89.16142	3.7
91.05477	12.2
91.71649	6.8
93.07019	5.3
95.04952	4.6
112.72697	3.5
119.08574	4.1
121.06493	24.9
130.08633	28.6
131.07031	15.8
133.08597	78.6
135.08112	4.3
147.08049	16.1
149.09639	8.0
150.06816	7.7
165.09138	11.7
175.09700	7.7
177.11177	24.5
177.12570	4.9
191.10747	5.6
233.18979	16.4
277.21643	25.1
321.24124	8.0
348.49103	4.2
355.10706	4.5
473.90433	4.3
477.28525	5.1
554.52466	4.3
562.72742	4.5
579.33392	5.2
691.46100	10.3
708.48395	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	709.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48481	10.4
64.64851	9.6
68.85929	9.9
74.26250	10.8
90.95752	10.5
91.41044	11.4
94.06582	13.8
97.23397	11.4
103.93011	10.1
112.75665	12.9
121.47586	12.3
132.08124	14.0
142.92923	12.3
158.06090	45.9
160.07602	15.2
183.09375	14.2
199.08696	14.6
211.08711	14.2
218.08089	90.5
236.09441	17.2
250.10771	100.0
285.08920	30.9
303.09863	24.8
339.13458	41.1
343.70819	17.2
357.14606	31.7
376.51321	16.5
500.18558	13.8
534.18799	16.6
552.23291	38.6
641.22156	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	709.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65924	6.1
66.01905	8.2
70.06560	14.1
73.04840	7.8
90.57024	7.2
96.99049	7.2
98.88824	8.1
106.06570	16.5
111.48893	7.5
116.04935	8.5
120.04450	11.6
122.06104	11.9
134.06032	30.2
136.07680	9.6
144.04442	14.3
146.06006	36.2
160.03899	23.3
162.05522	49.9
172.03938	64.8
185.10896	10.8
190.05002	31.0
197.10687	8.9
204.06561	73.1
207.41414	8.7
212.09315	10.5
213.10265	14.5
214.08878	12.2
225.10249	13.6
226.08290	9.5
231.11426	11.5
237.10342	20.6
243.11259	26.3
255.11205	11.6
259.10709	69.4
260.49631	10.2
265.09766	22.4
269.09186	12.7
271.10745	10.7
273.12018	9.4
283.10883	16.9
285.12378	43.3
287.10468	18.8
291.07565	11.2
293.09155	18.6
295.10684	10.2
295.51181	10.1
301.11807	51.8
303.13406	80.8
315.22513	11.0
319.12772	88.5
321.08786	26.8
337.13950	23.6
414.14459	14.7
415.15427	24.9
456.15619	11.3
462.16257	15.2
474.16678	58.1
588.97595	11.0
605.20270	26.0
623.21484	100.0
625.52753	11.0
641.22968	12.8
655.23547	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	709.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49633	2.2
57.97586	2.2
60.78740	2.7
67.32086	2.4
91.71592	2.4
98.66457	2.5
110.06133	2.8
112.67734	2.9
122.06078	4.6
134.05998	5.6
141.58232	3.5
144.04443	4.1
150.05548	3.3
152.06995	5.1
164.86401	2.6
172.03958	10.8
183.73541	3.0
186.09219	4.2
190.05113	3.4
202.11005	3.5
203.11775	5.6
204.06499	14.7
214.08691	9.0
215.08203	4.5
217.22577	3.3
228.09998	6.2
231.11340	5.8
255.11333	7.4
256.09860	4.7
259.10739	88.0
273.12448	5.0
301.11795	65.6
319.12836	100.0
323.10159	5.4
337.13885	23.4
355.12601	3.4
479.69016	2.9
580.99939	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	709.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49365	7.4
68.87340	6.8
72.12434	6.6
72.40644	7.7
97.51991	6.7
106.06609	10.8
117.82932	7.2
120.04493	9.6
122.06030	13.7
134.05997	16.4
144.04434	8.7
146.05997	39.3
160.03969	13.4
162.05484	40.4
164.07147	8.3
166.10457	7.9
166.74138	9.7
172.03909	21.0
190.05014	14.7
204.06587	33.2
208.96147	7.9
211.08786	10.7
212.45070	8.3
213.10210	11.4
235.08482	8.6
237.10313	12.5
241.09712	12.9
243.11302	27.1
249.10204	12.3
265.09604	13.1
269.09280	17.2
285.12265	41.4
287.10275	26.6
293.09229	23.8
303.13376	44.5
308.92520	9.6
318.65790	9.7
321.08649	19.6
323.10233	11.7
387.15439	10.1
414.14334	14.1
415.15707	10.7
474.16312	25.7
581.19653	10.5
605.20203	18.5
623.21417	100.0
637.22290	10.4
641.22089	19.7
655.24023	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	709.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84132	7.9
63.31713	7.3
89.43034	8.0
91.25747	9.0
91.71196	15.3
131.59470	9.7
158.06020	32.7
184.04050	10.2
218.08134	100.0
236.09367	15.6
239.08173	9.5
242.06810	12.3
250.10699	91.1
257.05515	11.1
257.09100	25.2
267.07623	18.5
275.95001	10.2
285.08722	20.8
303.09793	53.4
339.13400	24.6
357.14294	19.1
371.16461	13.0
532.65118	11.1
534.18408	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58131	4.1
62.95774	3.2
69.85089	3.7
70.06585	7.8
77.64494	3.9
91.71094	5.3
91.71564	7.2
94.06581	5.5
96.08125	11.8
100.53788	4.2
103.96355	4.6
108.08130	6.8
110.09679	13.2
120.04443	6.0
120.08118	11.5
122.06017	5.2
138.09148	18.8
151.83246	4.5
166.08636	17.1
172.03992	5.2
190.04984	6.4
204.06580	13.9
225.10191	5.4
237.10214	10.0
238.34265	4.7
250.10922	7.3
251.11685	5.7
263.11798	8.2
265.09802	9.3
267.11346	8.3
271.67831	4.3
279.08218	5.1
279.11298	15.8
283.10773	9.9
285.12360	9.0
289.09607	6.6
293.12811	5.8
294.10120	6.8
311.10272	6.1
313.11649	5.3
325.11826	11.1
325.41437	5.3
327.13406	15.0
335.10318	8.0
339.13333	57.1
354.12207	9.7
355.12930	15.8
367.12863	34.0
474.16721	6.8
488.17734	9.3
520.20770	100.0
552.23291	62.9
627.24512	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	709.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84109	3.4
91.49085	4.0
93.07002	4.9
94.06565	5.2
96.08108	9.0
108.08124	9.9
110.09690	11.1
114.79898	5.1
120.04442	6.1
120.08076	13.1
124.07590	5.1
136.07568	10.4
138.09154	22.1
142.20100	5.1
148.07513	7.5
166.08661	16.9
172.03845	9.0
190.05003	6.2
204.06609	7.9
215.09236	5.1
237.10248	7.5
241.09586	4.8
244.90604	5.2
250.10771	7.7
251.11774	9.4
261.10175	6.0
263.11902	8.4
265.09790	6.5
267.11337	8.3
279.11319	6.9
283.10730	7.4
285.12372	12.7
287.14139	6.6
291.11249	6.0
293.12613	6.3
303.13147	6.5
311.10461	6.9
326.12601	7.1
327.13501	8.7
335.10159	11.3
339.13324	47.2
354.12146	8.2
355.12787	13.5
367.12836	40.1
474.16919	5.5
488.17856	8.3
505.85907	4.9
520.20740	100.0
538.20813	5.3
552.23438	49.7
627.24390	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02277	17.0
77.08024	19.0
77.37012	17.1
88.37614	22.4
93.07005	22.7
118.04450	20.8
120.08119	40.4
129.58647	26.1
131.10927	20.9
139.86923	23.8
148.07529	44.7
205.18504	21.2
279.11630	31.0
339.13309	35.0
366.40854	25.7
474.20584	31.1
502.19754	71.3
520.21088	100.0
552.23102	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	709.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39142	18.7
70.06563	37.5
124.23636	22.8
128.06367	22.1
134.36957	26.8
339.13327	31.7
368.83252	26.0
427.80994	29.3
474.20334	37.9
502.19690	62.2
520.20471	100.0
552.23370	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	709.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61389	0.8
56.96562	10.0
66.18112	0.9
70.92268	0.8
82.75279	1.2
83.97063	1.1
86.62005	1.0
89.14938	1.0
98.97571	32.6
98.98212	1.6
113.18629	1.1
116.98611	27.1
116.99396	2.0
122.03689	2.5
134.99648	12.1
137.05974	39.8
138.28221	1.1
140.00182	25.4
146.02174	1.1
158.01251	19.3
176.02272	2.9
181.02826	15.0
220.00378	1.8
224.09581	1.6
226.11189	5.9
235.02728	28.6
244.12302	3.6
247.11302	1.4
249.12764	4.1
253.03813	31.1
261.03195	1.3
267.13724	5.5
271.04984	1.8
276.05420	56.9
277.05829	1.9
290.15378	2.0
342.30957	1.2
344.15317	2.6
404.17410	100.0
411.19031	1.1
445.19949	7.5
656.67157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96773	5.6
57.07057	8.9
58.06585	78.5
58.47824	6.5
59.07362	23.3
60.08150	20.7
60.90463	5.6
61.69951	5.7
65.24981	5.0
67.07931	5.5
74.25323	6.5
75.72589	5.9
81.95592	6.3
89.12190	7.0
95.08574	6.6
95.29424	7.3
110.73766	6.3
129.31111	6.6
131.08536	8.7
144.10214	26.2
162.11234	6.6
167.53246	7.1
184.07446	8.9
219.37151	7.8
236.14902	100.0
327.82300	7.9
409.61301	8.6
456.36893	8.7
474.37888	13.0
605.39978	9.5
692.51019	48.0
693.37762	9.2
710.52124	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.1
57.06827	3.3
57.07080	15.4
58.06593	34.0
59.07380	6.9
60.08157	8.3
64.77149	3.2
67.05499	7.4
69.07057	5.3
71.08639	9.9
81.07066	3.8
83.08607	4.3
85.10181	6.0
87.04506	3.8
89.06056	11.4
95.08628	7.9
97.10201	3.7
109.10194	4.6
130.98308	3.9
133.08653	8.2
144.10210	7.6
160.93430	4.4
215.19702	5.0
236.14961	59.8
284.67487	4.6
313.75027	4.5
357.89676	4.5
367.35727	100.0
367.39963	7.2
412.29663	6.5
474.37894	8.4
506.22345	6.1
521.53790	5.4
668.09863	5.3
710.59338	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	710.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91676	5.1
55.05523	5.2
57.03418	10.0
57.07053	7.9
58.06593	55.6
59.07367	16.2
60.08150	16.1
63.87577	5.6
67.05473	7.8
67.22585	5.0
67.31248	5.4
71.08617	6.5
76.72872	5.8
86.09704	19.0
125.46429	5.4
135.51195	5.8
144.10211	21.7
162.11292	10.5
184.07298	32.5
197.31805	6.8
199.88658	5.7
236.14928	100.0
243.91916	5.8
474.38068	20.3
533.86560	6.2
538.93384	6.6
551.53821	5.8
667.14343	8.5
710.59375	66.8
721.65424	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	711.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
74.34724	7.5
88.94058	6.8
91.63026	7.1
100.76958	7.3
106.06534	13.8
117.88129	6.7
121.10187	9.5
122.06012	7.6
134.06046	20.3
136.07623	12.7
146.05981	19.8
148.07587	21.2
150.04376	7.6
150.09030	10.6
152.07053	32.6
160.03925	100.0
162.05466	60.5
166.08571	59.9
172.03938	25.7
188.03365	8.3
190.04990	14.4
200.37508	9.1
204.06610	24.3
210.07671	10.0
218.08081	11.7
225.10318	9.9
239.11784	18.4
241.32738	8.5
249.10295	9.1
251.11798	9.8
263.11761	17.3
267.11118	9.3
271.10684	8.5
279.11212	20.0
284.44647	8.9
285.12271	21.7
291.11240	12.8
293.09259	52.5
297.12378	35.9
309.12372	22.9
311.10315	14.2
319.07358	10.0
321.08600	14.6
323.10535	10.5
323.15970	10.5
325.11856	12.9
337.11758	52.3
339.09656	10.3
339.13422	12.8
357.14612	8.8
371.12234	11.5
446.17023	11.9
458.17416	16.3
460.18787	12.4
476.18518	10.3
478.19699	10.6
486.16589	44.4
488.18054	18.2
504.17471	33.3
506.19284	9.4
518.19012	37.7
536.20105	29.3
615.86505	10.0
625.22174	11.3
643.24023	39.1
675.26361	11.5
719.71332	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	711.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49793	6.8
52.57771	6.4
61.31542	8.0
70.06575	12.8
71.24352	6.8
90.70551	7.5
91.39472	8.5
132.04448	10.0
134.06017	15.3
139.00644	8.7
146.06015	14.5
148.07581	13.6
152.07098	33.7
160.03909	100.0
162.05486	29.6
164.07094	10.8
164.91286	8.4
166.08664	39.1
172.03986	39.1
182.88229	10.4
204.06520	45.5
215.05350	12.7
233.22900	10.6
237.10257	9.9
265.13235	12.0
293.09335	20.5
297.12338	13.9
309.12299	18.2
313.62219	9.7
337.11768	16.0
351.09732	27.7
414.14883	10.8
441.31842	12.3
457.47144	10.6
483.86240	10.3
486.16656	50.4
518.18890	39.0
536.20105	38.3
643.23492	23.7
675.26147	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	711.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38099	0.9
67.05486	3.7
71.12054	0.8
88.83095	0.9
89.57617	0.8
91.05472	1.0
94.06562	18.0
95.04994	1.1
96.04491	3.4
98.06023	1.4
98.75186	0.8
106.06589	2.1
108.08087	1.4
110.06024	4.3
112.07630	3.9
116.04987	2.7
120.04454	2.3
120.94602	0.8
122.06025	44.2
124.07589	1.2
126.05540	1.0
134.06009	8.5
136.07573	61.8
138.05539	0.8
140.07060	27.4
144.04445	8.9
146.06039	6.0
150.05533	2.5
152.07057	6.6
158.08116	24.0
160.03922	6.1
162.05522	4.6
164.07056	100.0
165.07448	1.1
166.08681	2.0
172.03923	36.3
174.05492	2.7
182.08119	71.0
184.09746	1.9
190.04985	11.9
193.89656	1.1
204.06546	43.3
223.95103	1.1
237.10236	1.1
243.11287	5.8
249.10217	1.1
250.07242	1.1
255.11313	1.1
267.11240	2.2
285.12308	7.4
285.41049	1.1
293.09540	1.0
295.10779	3.8
297.12247	2.1
299.10355	1.2
303.13370	16.7
321.14420	3.9
323.10257	15.9
325.12167	1.1
339.15594	3.3
341.11176	5.9
355.12830	6.2
462.16620	1.6
480.16980	1.0
492.17786	1.0
506.19345	1.5
522.18237	1.8
586.73682	1.3
639.23932	1.6
657.25476	1.1
661.24365	2.1
675.26392	1.4
717.45508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93254	1.2
55.01614	1.2
55.01862	15.4
67.05497	4.7
68.03234	1.0
69.03403	3.2
70.06564	2.9
71.04978	0.9
74.00646	5.9
76.03997	9.3
81.03397	1.0
81.07046	6.3
83.06089	5.2
84.04494	23.0
85.02898	4.9
87.15908	0.9
91.05470	2.6
95.04942	4.1
96.02135	0.9
97.02890	2.2
107.04946	1.0
109.06500	8.3
112.03951	14.8
123.04417	100.0
124.04722	1.3
128.07455	1.2
129.06586	5.8
130.04993	50.2
134.09831	1.1
135.04420	2.4
137.05966	47.0
140.07053	2.3
143.95360	1.0
147.02640	3.2
147.07637	1.5
149.00568	2.9
149.05978	9.5
153.06638	1.0
155.01573	10.3
156.21996	1.0
161.05956	1.5
163.02122	13.6
163.03384	1.2
164.07095	1.3
167.01637	3.5
175.02122	3.9
179.01602	19.2
193.03169	24.5
197.05992	1.1
198.06754	1.9
199.07166	1.1
217.17653	1.1
224.47766	1.0
235.04028	1.9
243.06482	3.8
244.07283	28.3
259.04263	5.2
267.04669	4.7
270.08829	2.1
277.05341	9.8
285.05768	3.6
296.10138	1.0
303.06818	20.3
320.09531	8.3
329.25092	1.2
331.06274	1.5
406.09518	16.9
423.12140	48.5
477.13129	9.2
552.16254	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	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34884	4.6
55.05496	7.3
56.05022	5.3
57.07054	7.4
65.34332	5.0
67.05492	22.6
69.07046	16.2
71.21346	4.4
79.05460	10.6
81.07034	15.3
82.06554	13.1
91.05481	14.1
93.07039	10.0
94.06551	20.7
95.07410	7.4
95.08602	16.1
96.08122	6.5
105.07010	8.0
119.08534	5.8
123.11721	8.4
262.25275	100.0
280.26447	8.5
473.83093	6.7
516.47589	22.4
534.48419	10.6
696.54846	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20481	30.1
68.01830	30.7
70.06573	71.2
86.09702	40.3
98.35574	33.5
123.69444	33.6
131.22824	37.9
133.85915	41.7
144.07350	41.8
154.96069	40.7
195.34373	47.8
203.89677	42.0
211.91528	44.1
223.56995	39.3
249.63034	44.5
683.20618	88.4
715.23071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.229
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47861	26.1
72.08160	35.1
77.43448	34.1
87.67213	36.1
91.71071	44.0
225.77705	31.3
266.85406	40.3
286.19385	38.4
464.58157	36.5
478.28760	35.4
527.51111	35.1
647.17554	74.2
665.19696	74.3
679.20587	51.7
683.21259	89.9
697.22070	73.1
715.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02176	12.6
62.17431	11.0
68.30132	13.0
70.06570	13.1
76.49454	11.4
130.58405	13.9
166.26884	13.5
180.79594	13.6
184.41280	14.1
210.01212	17.4
222.83095	16.7
227.24985	16.1
327.09842	21.0
341.11139	61.6
358.11234	27.9
359.12375	100.0
364.20352	16.9
380.13516	91.2
380.93781	15.7
471.72906	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47817	6.3
66.01801	7.3
72.92760	7.2
77.90678	7.9
80.41405	7.3
97.76266	9.3
103.34356	8.3
110.28690	7.7
110.61531	8.2
135.75391	10.4
157.28743	9.9
179.05573	34.0
239.16965	10.8
245.29062	8.7
384.41431	11.1
402.47372	9.5
597.83331	12.2
683.22858	100.0
715.25726	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	715.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10735	4.2
54.56249	3.9
61.02921	7.2
67.05513	9.3
67.95662	4.4
69.03410	5.9
71.14671	5.0
71.64885	5.5
72.16837	5.2
73.02900	8.5
79.05485	13.4
81.03426	5.2
81.07066	12.6
85.02902	10.2
93.07034	7.0
95.08546	7.3
97.02897	11.0
101.02361	6.5
128.74947	4.7
140.49239	5.4
145.72798	5.8
180.04440	5.4
220.72224	6.9
309.13028	6.2
360.00555	6.4
416.60281	6.6
465.20886	8.8
491.26318	11.9
533.53479	7.0
715.40295	100.0
734.50775	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53520	7.8
52.15269	9.9
53.04321	10.3
61.02965	12.5
69.69048	11.5
79.05549	9.4
81.07053	15.4
91.05480	18.4
108.98552	11.1
113.20182	12.3
128.45352	11.2
150.11554	11.9
216.95013	12.1
277.77249	13.4
284.20599	13.9
381.98306	12.9
553.55920	14.2
715.40002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	27.7
71.08624	38.2
74.59971	9.8
83.08611	12.4
85.10188	21.4
87.04459	24.3
89.06029	100.0
116.32141	11.3
130.08647	33.3
133.08627	56.5
150.00464	13.0
177.11191	20.8
289.14438	14.5
294.55627	11.7
298.04031	13.7
717.46442	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.245
Annotation	Unknow
Peak:m/z	Relative Intensity
83.65699	10.6
86.09669	14.2
86.57140	12.7
99.20023	13.4
115.28079	12.2
139.03870	12.4
151.84573	12.3
181.45697	16.0
197.86949	14.1
400.76883	13.7
477.12228	16.1
510.13916	20.4
542.16046	18.8
607.18219	33.8
639.21008	59.1
674.38470	13.3
685.22150	25.8
699.23560	76.1
717.25031	100.0
717.46393	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	717.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24241	28.9
94.68042	42.8
128.49039	44.7
250.83122	45.0
255.23311	47.7
298.76172	47.3
699.22845	94.2
717.24127	100.0
717.47119	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	717.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24241	28.9
94.68042	42.8
128.49039	44.7
250.83122	45.0
255.23311	47.7
298.76172	47.3
699.22845	94.2
717.24127	100.0
717.47119	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	717.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52123	6.1
55.04885	6.8
61.86892	7.1
81.83774	7.6
199.01138	8.3
236.69745	8.5
309.12527	9.7
334.12164	10.5
351.06677	9.0
367.09790	14.1
404.09009	12.9
416.09076	17.9
448.12115	32.0
516.28174	10.1
560.17035	38.0
601.19562	14.6
617.40686	10.0
625.19006	16.1
685.22406	26.6
717.24823	100.0
717.46222	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	717.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52123	6.1
55.04885	6.8
61.86892	7.1
81.83774	7.6
199.01138	8.3
236.69745	8.5
309.12527	9.7
334.12164	10.5
351.06677	9.0
367.09790	14.1
404.09009	12.9
416.09076	17.9
448.12115	32.0
516.28174	10.1
560.17035	38.0
601.19562	14.6
617.40686	10.0
625.19006	16.1
685.22406	26.6
717.24823	100.0
717.46222	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	717.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18026	2.9
70.06583	6.3
80.94914	3.7
83.01092	9.7
158.08087	5.8
179.05560	4.8
180.06331	19.3
268.36404	4.5
347.10046	5.4
362.08795	4.7
375.09302	5.5
394.22925	4.3
458.94971	4.9
510.16266	31.3
528.17200	65.4
542.17950	6.1
560.20013	100.0
569.20282	7.8
685.24866	20.2
717.27209	29.9
717.46228	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	717.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10147	9.8
51.37037	12.1
58.40982	11.6
67.47916	10.9
70.06572	23.5
75.54303	12.5
84.08135	28.1
91.71644	19.7
111.25016	14.8
179.05545	22.2
313.24924	15.2
345.28784	18.3
349.73633	15.1
369.33386	17.7
406.30365	18.3
488.17813	21.7
510.16507	35.4
528.17059	67.8
560.19763	100.0
688.12976	19.0
691.31537	19.0
717.26923	70.3
717.47052	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	717.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20998	3.8
70.06589	5.5
72.09726	4.8
82.46521	4.9
86.25335	4.3
95.41985	5.3
102.56259	4.6
108.79174	4.6
118.08684	4.2
120.56088	4.6
142.37003	4.8
148.03714	11.8
179.05507	47.0
180.06285	6.3
192.06110	4.9
204.06261	7.2
345.14084	10.7
347.42084	6.2
359.10007	8.7
484.18515	13.5
528.17590	8.3
560.20349	7.2
667.23053	8.0
680.18750	6.6
685.24841	100.0
686.24493	8.1
699.25311	9.0
702.60480	6.8
717.27576	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47468	46.1
59.73945	55.3
61.02914	63.8
68.46259	62.3
85.02876	63.8
91.03937	66.0
117.09673	69.5
219.06679	93.7
220.07646	64.6
284.41974	100.0
453.81360	94.5
506.20404	82.4
608.93622	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06340	6.0
58.06594	60.9
59.07367	14.1
60.08148	18.3
63.26780	4.3
67.05470	7.0
75.04493	4.6
79.05487	6.3
91.71628	7.3
117.29028	5.4
144.10199	24.2
164.71341	5.4
189.21725	5.7
234.10231	5.8
236.14911	100.0
283.95245	6.0
460.36008	10.2
515.56732	6.0
531.22974	6.0
637.85358	6.8
718.46503	14.7
718.56958	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03223	42.2
64.02390	35.1
69.15714	41.5
70.06569	69.6
87.43083	40.5
100.09945	38.2
103.12580	39.8
104.26775	41.6
117.20470	41.2
138.92873	50.2
152.20251	42.1
209.36095	46.4
217.80739	51.0
222.29140	45.5
249.18811	42.6
307.41074	52.0
325.03683	47.0
388.53973	54.2
505.66586	58.4
621.09760	50.1
675.22961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.353
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80008	5.1
62.80106	5.9
63.92116	5.6
66.81190	6.3
71.19225	6.1
82.41924	7.1
116.29020	7.6
169.92560	7.1
249.01714	8.0
264.14246	8.8
279.62231	8.0
279.86099	9.1
288.62457	8.2
328.50412	9.5
335.73325	7.6
552.23773	8.6
719.35382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62086	2.8
52.73706	2.6
58.72448	2.5
65.50468	2.9
69.69070	2.8
75.10545	3.0
91.71644	3.4
165.85783	3.8
170.80743	3.1
203.44250	3.4
274.85864	3.2
303.84293	3.5
345.45557	3.6
521.38049	3.6
721.50708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37195	1.7
61.53616	1.8
69.22854	2.2
70.06577	5.3
73.80207	2.1
78.56403	2.1
94.06567	3.1
106.82212	2.2
119.06055	7.1
120.08087	6.9
134.08405	13.1
136.07556	3.5
138.09171	3.8
145.07599	3.3
146.08398	4.1
147.09184	3.7
148.09891	3.4
148.60542	2.3
150.09004	3.1
161.10793	7.1
163.08646	4.7
164.07063	7.6
166.08617	3.9
172.03947	6.2
176.06985	2.4
176.09479	5.4
177.10176	19.3
178.10988	23.7
179.11737	5.2
189.10049	3.7
190.11035	3.6
191.11786	100.0
192.12477	5.1
204.06616	5.7
209.12880	4.7
242.22177	2.5
250.10960	2.5
251.11801	3.0
263.11774	9.9
279.11200	6.2
291.11261	3.6
293.12830	4.0
297.12384	3.8
298.15601	2.5
309.12247	15.8
311.13687	4.1
337.11960	5.8
339.13235	7.3
350.15094	5.4
369.14423	35.8
382.17679	6.6
494.18622	3.6
515.22821	3.9
547.25690	4.1
672.30658	13.2
690.31268	14.1
704.32758	19.0
722.33563	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	722.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72719	5.2
57.07065	56.1
59.04986	10.8
63.38732	4.5
65.75748	6.7
70.15202	5.3
87.04453	40.8
89.06018	14.6
91.05461	9.6
91.70993	7.0
93.07046	9.4
101.06130	5.6
103.03931	100.0
105.34451	6.2
113.23322	6.5
119.08586	7.8
121.06536	10.5
131.07025	8.8
133.08696	11.6
147.08054	14.9
177.11324	8.7
191.09032	8.8
230.17900	7.1
233.19035	9.2
260.95383	6.9
277.21646	17.5
702.86267	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	722.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	30.4
58.68195	8.9
62.17281	8.6
62.91846	8.6
71.08615	41.1
85.10161	24.7
87.04470	31.0
89.06023	100.0
91.05481	11.2
121.06525	21.7
123.04391	11.4
130.08659	22.9
133.08615	73.4
177.11198	26.3
270.52267	11.7
291.23065	26.8
334.08240	11.2
400.39206	11.8
409.91068	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	723.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	37.1
72.10313	28.2
73.62399	26.0
95.83504	25.9
102.15001	24.8
106.28142	26.9
120.08105	81.8
122.09637	39.1
145.15901	29.2
148.07568	66.9
149.08328	94.0
150.09154	81.4
162.05534	29.9
340.45071	27.1
516.18066	32.7
534.18585	60.0
566.21210	90.1
575.01361	29.8
623.21167	100.0
641.21484	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	723.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	10.4
61.38205	1.4
62.96009	1.4
74.96919	1.5
76.06478	1.7
100.11292	3.4
105.16704	1.6
106.59344	1.8
110.42759	1.9
110.58568	1.8
124.00787	1.8
142.01756	13.7
160.02805	11.7
165.03369	10.1
172.06523	1.9
180.34459	1.7
183.04395	20.3
198.08070	2.4
206.06064	7.1
212.12929	2.0
216.09052	16.8
229.15623	2.9
234.10197	5.4
239.10664	25.2
241.12256	4.3
257.11716	9.9
264.13950	5.0
267.10217	2.3
278.79019	1.9
280.13431	7.6
281.44620	1.8
282.14783	3.2
285.11075	8.5
303.12228	8.0
308.12698	24.1
326.13766	11.1
349.15506	12.2
364.20447	2.0
396.14423	3.4
450.22971	4.5
477.23886	7.3
495.24869	100.0
640.54559	1.9
641.68182	1.9
727.77826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40914	4.6
57.03407	6.8
58.06593	62.4
59.07376	12.0
60.08150	16.6
81.07025	7.1
91.71688	7.2
144.10199	14.9
162.11375	7.9
179.56166	7.3
236.14864	100.0
239.03258	6.9
474.38147	10.9
547.29816	7.8
697.64825	9.4
724.49994	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98498	4.9
64.50465	5.3
66.93365	4.4
70.06564	9.5
70.20818	5.3
71.86950	5.6
75.09800	4.6
94.06573	12.9
106.06557	12.0
108.08047	5.8
120.04466	17.1
134.06030	21.4
136.07581	26.7
146.06017	9.9
150.05632	6.4
152.07135	8.5
164.07051	21.3
172.03986	15.1
190.05038	9.2
204.06612	14.0
209.10796	7.0
237.10269	9.2
249.10344	9.4
251.08192	8.8
253.09729	7.5
258.28058	6.4
265.09729	14.3
267.11395	10.6
271.10617	10.1
277.09729	10.9
279.07669	12.8
279.11307	10.9
281.12634	9.2
283.10837	14.3
285.12457	11.6
289.09735	10.3
295.10803	9.3
303.13394	20.1
307.11276	8.1
309.12323	10.7
311.10318	18.9
317.09177	7.4
323.10263	9.3
327.13217	14.6
335.10355	9.6
339.13394	60.2
354.12115	19.5
355.12921	16.7
367.12619	41.3
384.13821	7.1
449.19547	7.2
486.16983	10.0
490.19745	19.9
518.19263	41.4
536.20142	90.8
550.22070	32.1
568.23108	100.0
625.22675	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	725.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46406	2.6
59.32014	3.1
63.40217	3.3
65.78197	2.9
101.20316	3.5
106.06551	10.8
117.42029	3.5
120.04465	8.5
134.06004	21.5
136.07590	18.1
146.06009	10.5
150.05544	7.3
162.05585	6.1
164.07022	13.2
172.03929	12.0
190.05020	5.6
204.06537	8.5
212.09438	5.6
225.10176	5.9
237.10226	9.2
239.08105	4.3
239.11890	6.0
241.79605	4.5
249.10167	8.4
250.10536	4.5
251.11801	10.4
253.09825	5.1
261.10208	4.6
263.11755	6.0
265.09683	16.9
266.10608	6.1
267.11264	15.2
279.11337	9.7
281.12677	5.1
283.10837	9.5
284.54736	4.1
285.12299	14.4
289.09717	5.7
293.09293	6.6
293.12686	5.3
294.09982	7.3
295.10886	8.5
297.12466	6.1
299.10168	6.6
303.13379	13.2
309.12436	4.6
311.10269	11.6
313.11951	5.7
323.10056	5.0
326.12531	7.4
327.13278	15.4
335.10199	12.9
339.13272	45.7
341.11655	4.8
354.11987	26.6
355.12823	15.8
358.15402	5.2
367.12766	29.4
373.98093	4.5
398.14597	5.6
414.14545	6.5
415.15533	4.7
428.15179	5.3
460.18350	6.3
472.18973	9.3
486.16559	7.7
490.19736	13.8
506.18933	5.3
518.19128	31.5
536.20258	100.0
550.21838	11.9
568.22833	91.0
625.22797	22.8
756.22986	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	725.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94577	3.7
66.77053	4.3
67.46436	4.2
70.06575	8.7
71.71822	3.8
75.60118	3.4
81.42976	4.4
94.06586	4.4
134.06018	12.6
136.07574	13.4
172.03926	9.2
193.40930	4.4
204.06561	10.5
225.10020	4.7
269.12790	4.3
287.14178	5.6
303.13303	7.0
339.13339	8.7
344.50827	5.2
550.21600	5.8
568.22913	100.0
627.01367	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	728.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02046	9.7
65.43915	9.9
70.06589	19.1
71.04999	31.8
72.21470	10.2
80.31242	8.8
108.93824	9.9
133.07639	13.5
147.09195	35.1
148.10013	28.7
161.10875	16.8
176.07047	12.8
176.13080	73.0
199.12354	18.8
203.11839	14.5
204.06824	12.0
217.13454	35.0
243.09848	11.9
246.54608	11.2
376.16754	23.2
408.19336	41.3
586.66467	13.9
696.29767	31.5
728.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62955	2.4
52.98829	2.2
53.15257	2.4
67.05484	5.9
69.03414	6.7
70.06582	2.7
71.04988	5.0
81.07047	3.9
82.68190	3.5
85.02896	12.3
85.06524	4.6
85.78548	2.5
91.05473	5.8
91.95573	2.5
93.07022	12.9
95.04945	5.2
95.08595	4.7
97.02881	4.4
97.06516	3.1
99.04462	5.0
103.03941	12.5
103.05430	5.6
105.07006	9.0
106.06562	5.0
107.04939	9.1
107.08607	5.7
109.06509	95.2
109.10159	26.6
109.60026	2.6
119.08614	3.3
120.08093	58.3
121.06499	40.2
121.10102	5.8
123.08057	10.1
124.81467	3.2
127.03872	15.2
131.08565	17.8
133.10130	36.3
135.08032	41.6
145.04938	6.5
147.11679	3.6
149.09541	3.3
149.44739	2.8
163.06029	6.3
173.13220	31.4
191.14293	100.0
205.07121	3.7
209.15350	83.7
214.12236	22.5
332.11978	3.4
333.49146	3.2
486.25345	3.7
686.60376	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	728.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.6
58.06633	0.5
60.08155	8.3
71.07359	4.8
74.43466	0.5
86.09695	44.5
98.98463	3.4
104.10699	2.5
107.72111	0.5
121.45098	0.5
124.99990	23.7
166.02631	0.9
184.07324	100.0
728.51923	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73075	1.5
57.03423	7.4
58.06309	3.3
58.06594	55.6
59.07371	15.8
60.08152	14.9
64.67335	1.5
67.05492	8.3
73.02948	1.8
74.26089	1.9
75.04478	4.0
79.05487	5.6
81.07042	8.5
83.59074	2.1
85.02882	3.8
86.09663	2.2
91.05491	3.8
93.07018	10.1
95.08578	2.0
95.88637	1.8
121.10157	3.3
131.07014	2.6
144.10179	16.6
162.11284	6.1
236.14908	100.0
332.41205	2.3
388.20706	3.0
420.07095	2.1
450.32321	3.7
468.32996	11.1
478.35245	3.2
484.20630	2.2
496.36301	6.3
728.54535	60.6
729.54932	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	728.588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63746	3.1
52.86956	3.2
55.05490	8.6
57.07067	54.9
65.57466	3.3
69.07053	9.3
71.08622	47.0
73.06555	10.0
75.81260	4.0
83.08618	5.9
85.10172	25.7
87.04475	5.8
89.06024	100.0
97.10165	8.1
107.04361	4.2
116.40089	4.3
117.09144	10.7
130.08652	34.6
133.08589	54.8
146.41304	4.1
177.11194	24.5
317.62451	5.6
355.08191	3.9
611.42133	4.7
617.99884	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	730.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.8
61.01149	3.9
67.05503	2.2
69.30304	1.2
70.06589	4.0
70.91615	1.2
72.04185	2.0
72.04519	17.4
74.62065	1.3
75.27351	1.6
79.03683	1.3
80.54780	1.4
85.06532	3.8
85.18191	1.6
88.02209	19.7
95.04958	1.5
97.02885	4.9
98.02402	3.0
99.05576	24.9
103.02155	11.5
108.81325	1.4
112.07570	1.8
113.05999	3.8
114.03762	7.1
122.33804	1.5
124.07594	3.7
125.07092	2.9
130.08589	2.3
132.04764	21.7
136.06181	62.4
141.06604	2.1
142.08623	19.4
159.05870	42.4
174.05847	4.2
175.05371	5.2
184.09744	8.6
201.06923	18.2
216.75110	1.7
226.84663	1.6
243.11502	1.9
261.12595	1.9
274.12534	1.8
288.73688	1.7
303.13702	100.0
304.14017	1.9
348.06982	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	730.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	4.0
71.04979	31.3
76.41952	2.7
114.74373	3.2
119.06071	3.4
120.08089	3.8
120.67707	3.4
122.09687	4.5
134.08386	9.3
134.09587	3.4
135.10434	3.5
136.07597	4.8
147.09166	36.3
148.09976	15.5
158.09656	3.5
159.09212	4.8
161.10735	19.7
164.07040	4.1
172.03934	8.9
174.11624	3.9
175.12332	7.9
176.13092	48.4
185.10638	5.2
186.11591	3.7
187.12341	10.7
190.14684	8.7
199.12309	30.8
203.11768	21.6
204.06584	14.1
204.12611	5.5
205.13246	4.3
217.13344	100.0
217.15355	5.6
218.14107	12.2
263.11890	6.0
279.11243	9.4
293.12729	6.3
309.12448	12.5
324.17004	5.6
337.11798	4.3
369.14362	9.0
376.16544	12.9
408.10324	4.6
408.19131	24.9
523.23474	4.4
525.25018	7.0
541.24506	5.1
573.26788	7.5
698.31580	37.8
730.34436	87.7
731.34698	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	730.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34625	24.9
55.02884	24.9
57.30378	26.3
61.16093	27.1
61.28307	29.3
67.05508	100.0
73.93207	28.7
74.66208	32.1
79.05488	48.0
81.07071	29.8
83.27094	30.3
93.07056	84.3
206.29596	42.1
283.15451	57.1
307.23013	46.6
334.82755	41.5
377.50546	33.9
502.20297	42.6
634.63641	35.9
692.59125	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20990	9.7
53.33038	10.4
56.43464	9.7
58.06307	10.7
58.06584	50.1
58.64700	9.8
59.07368	18.0
60.08147	23.8
66.09225	11.3
67.05477	11.5
69.57098	9.9
81.07066	10.9
85.74719	9.5
86.86378	11.1
89.02804	10.1
97.61658	12.2
102.64043	11.8
113.12785	14.1
124.68256	15.5
134.50931	11.0
139.60841	11.9
144.10178	18.8
236.14944	100.0
263.46420	17.6
268.94162	14.8
456.90692	14.4
470.34625	27.6
730.55853	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87988	15.2
56.96569	19.9
66.93996	21.6
80.90260	17.4
88.08821	17.1
88.33244	18.6
90.77206	18.5
106.92273	19.3
111.87192	23.9
123.43530	19.2
153.13293	20.7
164.95125	20.2
404.09375	29.3
416.09323	32.7
433.52710	25.9
442.97809	30.7
448.12146	43.0
615.17236	37.8
694.66272	29.0
699.19647	82.5
731.22919	100.0
751.25842	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	731.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	37.8
85.99702	27.5
86.09711	49.6
93.12535	31.2
635.71417	45.5
681.19171	63.1
699.19226	100.0
713.21558	60.9
731.22711	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74047	58.6
54.17127	61.8
57.27322	61.4
58.05066	65.4
65.32293	58.2
97.70406	69.7
112.42267	77.0
116.75593	70.7
136.31828	84.4
145.11232	81.0
164.03922	84.2
178.08534	87.0
217.19788	97.6
247.98106	85.9
634.81586	95.7
690.47827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35275	12.0
57.07055	66.9
63.88365	13.3
71.08623	27.8
73.06531	17.7
85.10186	23.9
89.06013	100.0
90.22270	15.6
101.04288	13.2
107.63832	14.1
108.02987	15.6
113.71415	15.2
117.64975	15.0
117.66124	13.5
122.98740	17.2
130.08585	16.8
133.08636	59.2
158.82858	14.7
177.11185	26.8
184.07257	27.3
286.93909	15.5
326.84207	18.5
414.02960	19.1
597.65045	17.7
760.99670	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
55.09586	1.4
55.59517	1.7
56.99029	1.3
56.99316	1.6
57.03427	5.0
57.07067	7.1
58.06594	59.3
59.07382	13.5
60.08163	19.1
67.05507	2.8
69.07036	2.4
71.08628	5.8
75.04475	2.3
76.42408	1.7
81.07044	3.2
85.02905	2.9
85.10188	4.6
86.09718	3.1
87.04463	4.6
89.06036	2.8
91.05488	5.3
93.07055	1.9
95.08587	2.7
105.07061	2.4
113.05999	2.7
119.54635	1.9
125.00076	3.0
131.07097	2.7
133.08646	2.9
138.59810	2.0
144.10199	20.2
162.11340	5.0
184.07413	8.6
189.61206	2.3
236.14911	100.0
272.34689	2.0
309.79279	2.2
375.73001	2.1
432.80972	2.5
456.37241	5.2
474.37961	11.6
494.34982	3.6
732.57739	66.5
733.57385	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	732.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
57.03421	5.9
58.06592	58.5
59.07375	15.2
60.08158	17.6
67.05492	7.0
69.07059	7.3
75.04476	4.0
79.05481	4.1
81.07050	5.5
83.08618	3.0
85.02895	2.1
86.09702	8.4
87.04462	5.5
91.05463	1.8
93.07039	5.2
95.08601	4.8
96.07827	1.5
97.10204	2.1
124.99999	2.8
133.08522	1.7
144.10201	21.4
162.11261	6.4
174.31386	1.7
184.07353	16.8
236.14902	100.0
330.05353	1.8
454.35205	5.2
472.36398	15.3
478.35193	2.9
496.36389	5.1
694.59424	2.2
732.57611	74.7
733.57953	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	733.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54834	9.5
56.70451	10.3
58.90203	9.2
63.96910	9.4
70.06550	15.4
86.09669	15.2
89.27240	10.5
117.08276	12.3
286.65765	13.2
482.13770	17.9
491.17596	13.1
498.13196	15.6
526.13025	60.9
544.14246	22.9
558.15704	100.0
567.15454	37.2
576.17200	53.7
584.37366	12.7
585.16302	20.4
617.20013	15.5
683.19421	46.1
701.21173	47.3
733.25024	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	733.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25172	6.4
55.25425	7.1
65.13253	6.3
70.06601	17.3
74.09886	6.9
158.07941	7.4
335.05685	9.1
425.11182	12.2
430.74298	10.9
457.23117	9.5
599.18848	12.9
701.22021	37.8
715.22705	25.1
733.24426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25172	6.4
55.25425	7.1
65.13253	6.3
70.06601	17.3
74.09886	6.9
158.07941	7.4
335.05685	9.1
425.11182	12.2
430.74298	10.9
457.23117	9.5
599.18848	12.9
701.22021	37.8
715.22705	25.1
733.24426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06559	19.8
76.89766	11.1
117.22501	11.9
118.06844	13.3
269.84882	12.9
416.09418	20.9
448.11826	16.9
623.18530	23.6
655.21088	42.0
680.26160	19.4
715.22797	55.2
733.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18234	8.2
54.79023	8.2
56.48409	8.4
61.47416	8.5
62.62785	7.1
70.06589	24.6
77.08297	8.6
77.58756	10.8
85.70943	10.3
92.37280	8.4
94.51496	11.0
114.75316	9.5
135.19414	9.1
148.03647	10.9
179.05504	54.9
338.58566	13.1
345.14209	20.2
416.80844	11.8
436.15887	11.7
514.73706	11.3
609.04761	14.8
668.26892	13.1
701.24548	100.0
733.26837	93.7
756.14215	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	733.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04497	3.2
52.20101	3.5
57.17155	3.3
58.45813	3.5
59.48960	4.2
70.06594	6.7
77.87461	4.0
87.85091	3.9
92.33039	4.3
96.47545	3.6
101.03293	4.1
121.40009	4.0
132.04269	4.6
148.03740	7.7
179.05527	100.0
179.06947	6.0
191.05688	4.7
204.06277	67.8
214.50427	4.3
249.00589	4.4
361.13766	46.1
377.02780	5.5
396.13000	9.7
431.17194	4.4
481.70108	5.1
733.26953	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62332	3.1
61.70257	4.1
66.32384	3.6
70.06588	7.3
71.18459	3.9
95.73994	3.7
115.41107	4.3
148.64999	4.5
180.06320	17.2
311.61902	4.8
341.89615	5.3
341.93918	4.4
363.09552	5.2
482.17294	6.7
508.15045	7.3
526.15613	15.3
544.16821	81.0
576.19421	100.0
577.19836	7.4
701.23834	15.2
703.93958	5.8
733.26306	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	734.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
55.46468	1.4
57.03414	6.6
57.07059	6.6
58.06311	3.3
58.06590	55.7
59.07375	15.0
60.08153	15.5
65.27819	1.9
67.05491	7.8
71.08608	5.3
73.18769	1.7
74.41785	1.8
75.04482	3.9
79.05489	3.7
81.07059	4.6
81.55207	1.9
85.02895	4.6
87.04458	3.1
91.05459	3.1
91.71644	3.8
93.07060	1.8
95.08602	5.8
101.61088	2.0
103.60446	2.2
113.06021	2.3
128.23685	2.2
144.10176	18.9
146.01079	2.0
150.84688	2.4
162.11256	4.7
197.95215	2.1
228.36821	2.2
236.14905	100.0
456.36771	5.7
467.66751	2.8
474.38126	17.5
496.36261	4.3
734.59167	78.8
735.59271	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	736.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42889	5.2
66.85261	4.9
70.06573	32.8
72.08127	8.8
75.88998	5.2
78.07188	5.3
91.50575	6.0
94.06540	9.5
103.33707	6.0
106.06555	20.9
120.08138	7.6
122.06055	11.2
124.11217	6.2
136.07581	15.8
148.07533	9.8
160.63171	6.4
163.08656	100.0
165.06587	17.2
172.03923	27.1
177.10262	21.4
187.10815	7.4
193.09636	31.8
194.10529	52.2
195.11288	22.3
204.06541	41.3
207.11266	41.0
227.11642	7.4
265.09824	6.1
336.13708	7.8
366.14291	36.7
372.13547	10.5
398.17203	29.3
402.14224	7.4
414.14050	6.9
415.15280	25.2
474.16281	11.1
492.17532	14.4
506.18945	7.7
668.27246	10.7
686.28174	46.4
700.29108	9.6
704.27917	7.4
718.30664	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34481	1.2
53.00298	2.4
53.03929	1.6
55.01862	1.6
55.05293	1.4
55.05505	16.3
57.03201	1.7
57.03429	19.2
57.07061	4.9
57.73998	1.3
61.02903	5.0
62.02053	1.2
65.03922	3.8
67.05495	91.6
68.64567	1.5
69.07060	14.8
70.35789	1.5
71.04966	3.5
71.08619	1.6
73.02905	1.8
74.09682	1.6
77.97821	1.7
79.05482	65.8
81.07046	85.4
83.04993	3.1
83.08629	8.1
85.02895	6.2
85.06524	4.3
85.21323	1.7
91.03939	3.8
91.04904	1.7
91.05466	40.1
91.71678	2.3
93.07034	82.9
95.04954	11.3
95.08598	54.9
97.02885	2.3
97.06518	6.4
97.10173	2.4
99.08076	4.8
105.06329	2.4
105.07018	32.1
107.08587	34.2
109.06507	4.4
109.10162	24.7
111.08124	1.8
117.07011	12.6
118.06544	2.0
119.08581	23.0
121.10139	36.7
122.95152	1.8
123.08101	2.2
123.11681	9.4
129.07001	4.6
131.08548	18.5
133.10136	28.3
135.11676	29.7
137.13258	3.5
143.08562	2.9
145.10101	16.7
147.11681	18.6
149.13261	12.4
151.11095	2.1
157.10152	4.1
159.11702	12.5
161.13252	3.8
171.11673	5.4
173.13293	8.6
175.14796	2.8
185.13322	2.9
187.14812	4.7
203.17949	2.3
205.19458	2.7
213.14708	2.2
213.16461	7.4
215.17929	22.7
231.17473	4.8
233.18979	12.8
250.70967	1.9
278.75565	2.0
307.22638	100.0
308.22897	3.0
309.24225	8.0
328.82703	2.0
533.35217	2.6
539.41119	8.8
557.41711	5.4
705.68604	2.0
756.26660	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	736.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98534	4.7
54.04227	5.6
57.03428	12.5
58.06594	49.5
58.94677	5.3
59.07357	10.9
60.08146	21.1
62.11310	5.6
67.05488	8.4
75.04466	6.8
91.05542	6.8
94.92163	7.8
96.48108	8.2
134.78165	6.3
144.10162	19.8
150.74805	6.6
174.76317	6.7
185.54927	8.2
202.63554	6.8
216.62053	7.6
236.14902	100.0
328.80255	9.7
339.33292	7.1
442.35126	10.4
460.36301	18.2
541.75415	8.0
718.55908	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61433	1.2
55.05507	2.1
56.05043	1.7
56.78910	1.3
57.03421	3.7
57.07055	4.6
58.06306	3.0
58.06592	55.2
59.07377	15.1
60.08154	12.9
67.05495	7.6
69.07062	3.2
71.08616	2.7
75.04468	3.9
79.05466	2.0
81.07048	7.0
83.08627	2.0
85.02887	3.4
85.10191	1.8
87.04456	4.5
95.08620	6.3
103.62926	1.4
108.52720	1.6
113.06046	2.0
143.60907	1.6
144.10211	17.8
144.20210	1.6
159.30238	2.0
162.11308	6.2
164.75197	1.5
183.34103	1.6
218.13872	2.4
236.14902	100.0
237.15102	1.7
325.69339	1.7
376.01349	1.9
445.25967	2.3
456.36954	7.1
474.37769	14.7
480.36807	3.7
498.37714	4.8
675.40607	2.0
736.60846	61.0
736.73962	3.3
737.61176	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	738.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	2.1
72.04511	5.7
90.77823	1.9
91.71757	1.7
93.07050	1.9
94.06571	4.0
95.58071	2.1
106.06546	12.1
108.08130	6.0
110.09706	2.8
118.06554	2.6
119.06084	4.2
120.06842	4.3
120.08094	3.4
122.06027	3.8
122.09642	3.4
129.66986	2.4
132.08020	2.3
133.07620	4.2
136.07562	23.9
145.07603	3.8
146.06023	2.5
147.09192	3.4
148.07608	5.3
149.33542	2.0
150.07852	5.0
152.07103	3.1
154.08690	2.6
159.09262	4.9
163.08652	45.3
164.07076	11.1
164.09485	9.8
165.06555	4.6
165.10208	3.9
166.08636	5.9
172.03886	11.4
176.09470	6.6
177.10208	26.5
189.10214	7.6
190.05113	2.7
193.09715	17.6
194.10483	25.1
195.11293	8.4
204.06541	13.1
205.09770	3.1
207.11267	100.0
208.11975	3.5
210.11475	2.2
211.12303	2.4
222.11623	2.6
225.12312	4.1
237.10242	3.2
239.11798	2.6
251.11819	2.3
255.94603	2.3
263.11807	14.2
265.13260	4.0
267.11392	4.4
269.12878	3.5
279.11157	14.0
281.12891	4.5
291.11319	3.3
293.12872	6.1
296.11557	2.9
297.12387	6.1
309.12262	27.5
311.13770	5.5
323.13766	3.9
325.11887	3.1
337.11734	14.7
339.13364	9.8
346.43884	2.6
366.14319	8.0
368.15808	3.6
369.14371	36.3
371.16034	5.6
384.15341	2.5
398.17151	7.5
428.24136	2.4
429.65948	2.5
531.22253	5.8
563.24945	6.9
602.30585	2.2
688.29700	38.1
696.59906	2.3
706.30536	15.2
720.32404	30.4
720.69104	2.7
738.33099	11.1
756.22491	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	738.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12479	1.2
60.04511	1.5
60.39315	1.5
69.85352	1.2
70.99844	1.3
91.05464	2.6
103.05446	3.1
107.04939	21.9
120.08093	2.8
121.06505	8.8
130.06517	19.2
141.56477	1.7
144.08087	2.3
159.06792	3.4
161.97383	1.6
171.09163	3.4
172.07558	4.2
179.08572	4.5
196.08841	4.1
197.09544	2.5
206.09668	4.9
222.09007	2.9
224.10677	100.0
225.11186	2.1
266.11841	8.7
270.11273	30.7
283.14371	17.7
283.52237	1.9
312.12280	4.7
329.14929	86.1
343.77509	1.6
345.51013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	26.6
57.03423	24.0
57.07056	7.6
66.58484	5.8
67.05179	7.7
67.05499	100.0
69.07061	30.8
79.05487	37.7
81.07046	99.2
83.08618	21.3
86.09695	8.7
91.05462	40.6
93.07038	55.5
95.04962	7.7
95.08604	62.8
97.39697	5.5
103.51844	5.7
105.07030	25.0
107.08584	36.2
108.31632	5.0
109.10174	30.6
109.87117	5.5
119.08588	14.9
120.77603	5.4
121.10149	31.5
123.11682	10.0
124.22175	5.8
124.99976	8.1
130.33528	5.9
131.08597	9.5
133.10149	24.8
135.11703	22.6
142.51123	6.7
145.10126	6.9
147.11696	17.4
149.13234	7.3
156.47575	6.0
161.13213	10.5
184.07327	10.6
205.19843	6.4
215.17896	16.3
217.19547	8.4
233.18979	19.3
307.22641	74.4
309.24185	72.8
345.25180	8.5
359.96036	8.9
541.42535	11.1
559.43597	12.9
607.55420	9.5
654.61121	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.05509	40.3
57.03431	28.3
57.07080	14.9
61.02941	7.7
67.05493	83.5
69.07058	53.5
71.05005	5.8
71.08630	5.1
79.05486	52.3
79.05875	6.2
81.07045	84.4
83.04344	4.0
83.08629	34.8
85.06559	4.7
86.09734	6.9
91.05495	32.5
93.07037	76.7
95.04935	4.8
95.08598	74.9
97.06552	6.1
97.10178	11.7
105.07074	14.4
107.08584	31.6
109.10194	18.4
110.74620	4.5
111.08131	5.4
114.57196	4.7
117.06997	4.7
118.93095	4.4
119.08575	7.4
121.10139	49.3
123.11709	12.1
131.08603	14.6
133.10156	18.0
135.11674	38.5
145.10194	11.5
147.11658	9.4
149.13335	16.0
159.11761	12.5
173.13213	7.9
186.91747	5.1
189.18958	4.8
215.17999	32.1
233.19022	35.0
237.22141	7.3
307.22638	82.0
311.25760	100.0
317.55298	5.2
401.92847	5.9
429.71762	5.6
441.45786	6.1
543.44092	24.2
561.45819	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	740.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29560	4.5
57.07072	9.2
58.06596	74.6
59.07360	18.9
60.08153	19.3
60.24789	5.8
64.37833	6.1
67.05481	5.8
81.07033	7.5
93.09364	6.3
95.08602	8.6
96.81855	5.6
132.20436	6.1
144.10207	20.8
146.82591	5.8
160.84175	6.9
199.44917	7.7
236.14914	100.0
299.18445	6.7
388.64685	6.4
394.33423	7.5
428.33081	10.4
446.34781	17.7
602.88245	7.4
640.47369	9.4
704.53619	10.6
722.55188	36.4
740.56470	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	740.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06583	8.8
54.31388	8.9
57.03416	10.7
58.06602	62.0
59.07370	26.3
60.08133	16.4
73.62010	10.0
74.16877	10.4
74.61440	9.1
81.07025	11.6
95.08614	14.1
162.11305	13.3
171.80441	12.5
195.77722	10.0
199.61119	10.7
236.14890	100.0
294.50403	12.0
474.37601	26.3
582.70624	11.5
668.51288	21.2
722.55536	38.3
740.56506	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.8
61.02922	11.7
67.05495	16.0
69.03416	9.7
69.07063	4.0
73.02916	7.9
79.05491	10.7
81.07035	10.3
84.22213	3.2
85.02901	12.9
91.03933	5.7
91.05493	6.5
93.07043	13.2
95.04993	3.5
95.08609	8.5
95.46096	3.7
97.02898	13.6
107.08622	3.9
109.10189	4.1
111.99190	3.9
121.10156	7.5
158.89871	3.0
201.99931	3.7
491.26199	20.3
499.73975	4.0
536.29291	4.0
741.45349	100.0
742.45300	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	742.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.53808	0.4
60.04512	1.0
69.07018	0.5
70.06583	26.3
72.79940	0.5
80.28239	0.5
81.04527	1.5
83.06095	8.4
85.65067	0.5
86.09695	15.4
93.04517	5.2
95.06085	1.6
103.05446	0.7
109.07624	0.7
110.07159	100.0
111.07520	0.6
120.08099	23.3
120.95383	0.5
136.08684	8.2
157.09738	1.6
157.13342	9.4
158.32104	0.5
164.08194	3.0
166.06116	1.9
177.08713	1.3
185.09312	1.1
185.12900	2.7
212.11830	1.5
229.82750	0.5
235.11885	4.8
249.17113	1.9
257.13928	5.4
268.10739	1.2
274.13815	3.0
277.16461	0.6
285.13416	2.2
393.18735	1.3
411.19946	2.0
441.26080	5.8
469.25577	11.1
558.26257	0.9
669.72583	0.6
742.25940	1.0
742.38696	13.5
743.39337	0.9
756.14722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85103	5.6
53.97201	4.6
57.06849	7.1
57.07070	77.4
67.12685	6.0
86.09715	14.2
87.04487	12.4
89.06023	91.4
91.71736	8.8
108.44456	6.1
119.08541	7.3
125.00030	7.3
125.37274	7.6
130.08617	31.3
133.08601	67.4
143.02536	6.4
155.02609	16.2
169.04176	10.9
177.11217	19.6
184.07356	19.6
184.68161	6.4
247.81335	5.7
258.60284	7.1
263.20911	6.6
267.15088	100.0
311.17603	38.8
355.20471	19.4
616.12677	7.7
725.41772	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	742.538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93798	0.4
56.04997	0.5
57.07026	0.5
60.08157	10.0
69.07557	0.5
70.13195	0.5
71.07364	4.1
71.08572	0.6
80.63406	0.6
86.09698	40.9
95.08564	0.8
95.91319	0.5
98.98462	3.6
104.10712	2.5
124.99996	20.9
143.31088	0.5
166.02690	0.6
184.07330	100.0
259.61261	0.5
393.07510	0.6
393.42188	0.6
549.22198	0.6
742.53027	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.6
60.07655	0.6
60.07912	0.7
60.08158	9.1
71.07375	3.8
82.12367	0.5
86.09702	41.4
87.75011	0.6
91.70918	1.1
91.71545	2.2
94.13921	0.6
98.98463	1.8
104.10746	3.1
125.00000	20.2
163.53712	0.6
166.02620	0.9
184.07339	100.0
185.07672	0.8
197.10695	0.6
249.42737	0.8
251.75690	0.7
271.43765	0.8
347.43887	0.7
348.27512	0.7
395.25760	0.9
742.53668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82195	5.5
58.06596	48.5
58.72669	5.8
59.07379	10.0
59.11222	5.9
59.89791	6.9
60.08149	13.7
61.62366	6.0
62.41346	5.0
67.05481	12.7
69.46466	5.5
81.45873	7.1
84.26959	7.6
144.10181	12.1
162.11179	7.0
163.63622	6.3
179.69978	7.9
236.14935	100.0
304.11920	7.3
411.27765	8.5
742.55634	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76639	6.0
54.77767	4.1
61.02894	7.0
67.05495	5.2
69.03404	5.8
73.02919	6.4
75.16148	4.8
77.79271	5.2
79.05496	5.9
81.07043	11.2
85.02890	10.9
91.03967	8.5
91.05468	6.7
91.71684	13.0
93.07032	7.8
95.08589	6.5
97.02870	11.5
105.07023	6.2
133.15996	6.5
154.09299	6.8
279.57306	6.5
366.43942	8.6
491.25827	10.2
618.92242	7.1
743.34619	4.9
743.46814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	25.3
61.02908	15.3
62.51849	15.0
66.20118	16.2
66.41841	16.2
67.05521	41.3
69.07069	24.0
73.02914	15.7
74.57967	15.7
79.05489	24.4
81.07066	43.5
85.02902	24.1
93.07049	22.7
95.08585	29.9
105.06995	16.8
105.10276	17.5
114.30299	19.7
145.10138	18.6
150.96986	18.7
152.74776	19.1
171.11732	19.9
178.89072	17.9
184.07439	45.1
215.37492	18.6
222.37109	19.5
581.41992	100.0
616.91479	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	744.222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59514	5.4
62.59813	5.0
68.89127	6.8
70.02930	8.6
73.23888	5.5
74.00650	7.8
78.04786	5.2
84.04499	23.9
91.05467	36.0
91.70972	7.6
99.05605	7.6
104.71213	5.7
105.03431	10.7
107.04949	45.0
107.06087	10.1
107.68051	7.1
109.07629	15.9
119.04914	8.8
121.06521	15.2
127.40229	6.0
145.06042	10.4
153.06590	9.6
155.08208	9.4
165.07039	9.1
176.12973	7.9
177.03239	7.3
195.08092	9.5
199.07509	28.7
211.07550	47.5
212.08408	9.0
213.09087	100.0
214.89529	6.2
225.09143	26.9
226.06345	8.0
229.03304	6.9
235.65440	6.3
257.02637	15.8
258.03165	8.8
290.76886	7.9
296.13654	6.6
313.98068	7.6
319.13260	89.3
441.10989	9.1
457.11047	8.5
469.11017	36.0
471.12500	15.8
494.14600	12.7
495.12613	13.7
496.15637	9.8
512.15338	53.4
597.17120	11.3
615.16986	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	744.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81477	6.3
72.93124	7.5
73.63327	5.9
74.00654	12.1
83.06102	12.1
84.04510	25.0
91.05503	19.5
93.07078	12.8
103.05466	8.9
107.04986	30.9
121.06489	60.8
123.04443	9.6
130.05054	10.7
145.06105	15.7
146.85406	7.6
165.07019	10.2
177.03374	8.7
181.06349	21.0
199.07523	10.9
201.03754	21.4
211.07613	31.0
212.08432	10.4
213.09248	20.2
224.04765	27.9
227.07074	14.9
229.03336	21.5
257.02542	49.8
329.08115	15.9
362.05826	12.6
423.10599	11.4
436.13116	52.8
451.10034	19.4
469.11032	100.0
495.12390	11.8
512.15582	18.4
615.18311	21.1
669.18665	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	744.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99902	4.5
71.04977	17.2
91.71178	14.3
91.71684	5.2
113.93827	5.7
120.08112	13.8
130.06517	6.1
133.07555	6.9
161.10727	75.1
171.09193	6.9
172.03981	17.9
172.09961	14.0
184.91203	5.9
185.10759	14.2
192.12546	62.9
192.51399	5.7
201.10207	12.8
202.11072	14.4
203.11871	17.9
204.06569	20.4
215.11673	28.5
219.11279	7.2
233.12834	21.6
255.30229	6.2
304.86508	6.4
392.16006	17.5
406.17761	8.7
424.18680	27.4
695.23279	8.7
712.29675	42.4
744.32361	100.0
756.10791	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	745.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.2
57.07074	5.8
60.80984	4.9
61.02922	9.4
67.05505	11.5
68.11949	5.1
68.29782	4.7
69.03421	10.4
73.02898	6.8
79.05519	5.0
81.07063	12.3
85.02887	9.9
89.17262	6.0
93.07034	9.5
95.81360	6.1
97.02904	7.9
97.79836	4.7
184.07195	7.6
491.26266	11.9
579.72888	6.2
689.15991	7.0
745.48328	100.0
746.48523	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	745.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96890	15.0
55.05496	41.3
57.03428	19.3
67.05496	94.6
69.03420	16.1
79.05486	65.7
81.07039	72.2
83.08618	17.9
87.96899	13.9
87.98218	16.1
90.50933	13.5
91.04932	12.3
91.05463	77.4
93.07029	100.0
95.04971	19.2
95.08600	73.9
97.92982	13.9
105.07030	69.4
107.08615	29.2
109.10171	26.4
117.07030	23.5
119.08599	53.2
121.10127	47.7
131.08540	39.6
133.10161	34.1
135.11700	26.4
140.34029	16.5
145.10098	21.7
147.11644	40.5
159.11708	24.6
169.13905	20.9
171.11642	22.5
175.14798	22.6
241.19438	24.8
259.20621	27.8
266.11069	19.5
273.77087	20.9
307.22620	43.9
317.98251	18.8
333.24280	20.2
333.52557	18.6
406.23553	21.2
443.73648	19.5
683.59265	23.2
745.44757	24.3
756.06250	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	745.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96890	15.0
55.05496	41.3
57.03428	19.3
67.05496	94.6
69.03420	16.1
79.05486	65.7
81.07039	72.2
83.08618	17.9
87.96899	13.9
87.98218	16.1
90.50933	13.5
91.04932	12.3
91.05463	77.4
93.07029	100.0
95.04971	19.2
95.08600	73.9
97.92982	13.9
105.07030	69.4
107.08615	29.2
109.10171	26.4
117.07030	23.5
119.08599	53.2
121.10127	47.7
131.08540	39.6
133.10161	34.1
135.11700	26.4
140.34029	16.5
145.10098	21.7
147.11644	40.5
159.11708	24.6
169.13905	20.9
171.11642	22.5
175.14798	22.6
241.19438	24.8
259.20621	27.8
266.11069	19.5
273.77087	20.9
307.22620	43.9
317.98251	18.8
333.24280	20.2
333.52557	18.6
406.23553	21.2
443.73648	19.5
683.59265	23.2
745.44757	24.3
756.06250	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	745.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.9
57.03431	11.9
61.02946	13.5
61.13683	6.2
65.35150	6.3
67.05498	87.3
67.05782	7.9
69.07077	22.8
72.48312	7.2
79.05472	71.9
81.07049	76.7
83.08604	14.3
85.02918	11.4
91.05476	66.3
93.07040	100.0
95.04996	22.3
95.08596	51.1
97.02885	7.3
105.07026	69.3
107.08628	33.8
109.06514	8.5
109.10146	17.1
117.07063	21.9
119.08562	44.7
120.58823	6.9
121.10113	42.3
123.11680	9.4
123.41861	7.7
129.07028	11.5
131.08597	34.4
133.10135	39.4
135.11697	18.0
143.08549	11.8
145.10188	26.8
147.11717	30.2
149.13274	13.5
157.10158	20.3
159.11732	15.8
161.13281	15.1
173.13284	17.5
184.07356	9.6
187.15106	8.3
199.14911	14.2
222.13100	7.9
231.17511	11.6
241.19641	12.4
259.20544	37.1
307.22626	38.9
333.24075	15.0
583.43591	29.2
718.37915	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	745.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
53.26975	4.0
55.05508	31.7
57.03429	11.1
57.07071	6.5
61.02918	8.9
65.66769	4.6
67.05493	100.0
69.03416	5.6
69.07063	27.2
70.82617	5.2
71.05006	4.6
73.02911	5.6
79.05485	92.5
81.07045	92.4
83.08604	16.0
85.02901	11.2
85.06491	9.5
91.05466	79.3
93.07037	95.9
95.04967	18.6
95.08599	60.5
97.02899	11.5
105.04523	6.1
105.07030	65.1
107.08600	41.4
109.10140	27.3
117.07039	20.1
119.08561	52.0
121.10143	46.1
123.11745	7.9
123.53017	5.5
129.06963	14.2
131.08565	40.6
133.10135	50.2
135.11708	29.6
143.08577	11.5
145.10103	30.7
147.11678	37.7
149.13254	10.3
155.08588	10.0
157.10156	21.9
159.11693	17.2
161.13319	20.9
171.11638	14.4
173.13278	19.8
175.14810	9.4
185.13225	11.5
187.14838	7.5
209.13283	6.4
225.16193	6.2
231.17445	10.5
241.19592	12.4
259.20651	25.3
287.00348	6.9
307.22714	51.5
333.24219	15.3
434.03320	6.5
475.28741	6.7
477.57828	7.9
565.42401	10.1
583.43579	35.3
775.56146	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	49.8
57.03436	16.5
59.24075	13.7
59.65693	14.8
67.05185	14.7
67.05489	100.0
70.64833	14.6
79.05486	52.0
80.14469	14.3
81.07039	96.5
83.08577	19.9
85.02904	17.8
91.05469	94.9
91.71011	17.9
93.07040	60.6
95.08591	92.4
97.10205	18.3
100.69161	19.0
105.07031	80.5
107.08624	38.2
116.64922	15.0
117.07019	28.3
119.08585	68.2
121.10159	38.9
128.25792	15.9
131.08574	39.1
133.10117	88.5
135.11694	25.9
143.08629	24.4
145.10112	37.8
147.11688	47.8
157.10130	22.6
171.11855	36.7
213.16437	35.1
231.17464	55.8
255.00783	18.4
257.92697	17.9
279.93607	23.2
335.25830	60.2
359.76660	18.8
362.47488	21.3
583.43622	70.5
641.92670	22.3
698.29749	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	745.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	8.8
55.05504	30.1
57.03426	18.5
61.02905	13.4
63.52774	7.1
65.03925	12.5
67.05237	7.9
67.05506	89.4
69.03415	12.1
69.07056	25.7
69.14181	7.9
73.67647	7.8
79.05486	56.3
81.03405	10.9
81.07044	100.0
83.08608	16.1
85.02893	23.3
91.03916	9.3
91.05476	79.8
93.07024	70.5
95.04973	16.1
95.08598	59.1
97.02863	19.0
97.10131	8.2
105.07024	89.4
107.08556	50.2
109.10155	26.3
117.07015	33.1
119.08568	77.9
121.10153	45.4
129.07030	29.7
131.08568	38.7
133.10115	64.3
135.11665	19.9
143.08575	29.7
145.10089	44.4
147.11671	57.4
154.07845	9.3
155.08586	10.3
157.10123	20.8
159.11676	22.5
161.13257	15.3
167.46477	8.6
169.10129	12.3
170.53815	9.5
171.11694	19.3
173.13199	12.9
185.13301	15.3
213.16408	37.7
231.17451	46.5
261.18701	9.0
303.33694	9.1
335.25699	25.9
583.43494	40.7
708.99994	9.8
755.04303	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	746.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76654	6.9
74.00667	13.0
84.04481	10.6
84.32816	7.2
91.05461	16.1
107.04940	11.7
151.61546	8.6
163.49802	9.0
167.91158	8.3
168.73170	8.7
213.09070	36.9
225.09163	26.3
226.06453	9.8
227.10690	11.1
245.02747	11.3
258.03445	26.9
345.48685	9.1
394.68335	8.6
471.12506	100.0
477.80365	10.2
548.54797	10.4
756.02478	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	746.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23993	3.5
70.89526	3.7
74.00656	35.4
76.04012	4.8
78.99273	5.7
83.06091	9.5
84.04496	18.1
85.04021	22.5
91.05473	13.9
92.01675	9.1
107.04955	10.6
113.03500	5.2
121.06488	21.3
129.06581	8.0
130.05006	20.6
131.04544	11.7
149.00583	10.9
159.52209	4.3
165.00027	6.2
167.01785	6.0
177.03314	33.4
185.03909	7.0
195.02670	6.5
197.06059	5.1
213.03683	14.6
213.09166	9.6
227.07001	7.9
239.44632	4.8
241.03125	100.0
242.03893	72.2
257.02573	34.9
258.03601	5.5
259.04498	6.0
315.10095	12.1
329.08273	8.5
347.08868	6.1
359.07413	6.3
438.14609	72.3
441.16757	9.7
471.12735	40.4
514.16705	15.7
617.19269	27.4
618.97943	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	746.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.2
74.00645	15.7
75.31410	5.0
76.97182	5.0
79.98777	4.1
84.04502	18.6
86.89426	4.2
91.05482	7.2
93.01035	4.4
95.05000	6.3
95.46339	4.8
96.32714	5.5
107.04954	15.0
111.92124	5.2
112.03967	5.6
121.06492	6.6
128.93408	4.7
129.06595	4.7
130.04990	19.5
135.04430	5.9
151.79362	5.3
165.06927	4.7
171.08083	9.4
199.07535	100.0
210.06567	5.3
211.07417	23.9
212.42471	4.5
213.09125	25.4
225.09189	12.5
227.07130	14.8
239.07021	23.7
239.10600	11.3
259.04282	10.3
276.63437	5.0
324.83466	5.5
435.02686	5.7
437.13339	8.1
438.14679	12.7
471.12491	58.6
497.14020	8.7
514.16992	10.9
617.19635	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	746.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10172	1.1
55.05510	3.9
55.72058	1.0
57.03424	8.7
69.03439	4.2
70.06605	2.2
71.01340	20.6
71.01687	1.7
71.04984	79.7
71.54614	1.1
71.65697	1.2
73.02922	6.3
75.04477	3.6
81.03432	1.7
81.07071	1.3
83.04980	13.8
84.04493	1.7
85.02895	100.0
86.06103	2.5
87.04478	1.7
89.89009	1.2
91.05473	12.1
91.05964	1.2
91.71633	1.5
93.07054	7.9
95.01321	1.7
95.04987	2.7
95.90977	1.2
97.02884	25.9
97.41614	1.2
98.06104	2.5
99.04486	2.3
101.02402	3.8
103.03957	3.0
103.05482	2.9
107.05011	1.8
109.06480	1.7
111.04436	9.3
113.02368	1.8
119.04973	3.3
121.06499	75.9
122.06830	1.9
123.04414	15.9
126.05529	1.4
127.03928	3.8
129.05470	23.4
129.06409	1.4
137.05971	54.8
141.01860	4.6
145.06494	11.3
147.04442	2.2
147.06529	9.9
161.06062	1.8
162.09196	4.1
164.09164	2.1
177.03923	3.4
183.02919	1.9
187.07570	2.8
217.08669	1.3
218.06818	1.9
231.10150	50.5
239.95930	1.5
241.06932	2.0
246.46059	1.6
255.10124	23.0
259.08191	4.0
273.11282	1.9
287.07648	2.7
292.15939	1.5
297.11221	13.8
297.13815	1.3
305.08636	8.5
323.12836	2.8
325.10718	2.6
327.12387	3.7
335.09390	3.5
341.13968	2.0
353.10287	4.6
371.11218	6.7
375.06912	1.5
436.73026	1.7
549.73938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57911	1.1
53.03934	5.5
53.63710	1.1
54.25388	1.3
57.03421	2.8
60.45653	1.4
61.02909	3.7
66.39872	1.3
66.63322	1.4
69.03418	17.6
70.06586	4.3
71.04974	4.6
73.02898	3.0
79.01407	1.4
81.03401	18.8
81.07061	1.8
83.04967	2.1
85.02892	78.6
86.09693	2.1
91.05495	3.1
97.02879	39.7
99.03784	2.3
99.04442	49.4
103.03931	83.3
104.02957	1.4
107.68548	1.6
109.02861	22.3
119.04874	2.0
123.04417	1.7
127.03906	100.0
137.05992	12.6
144.06593	1.7
145.04945	52.3
151.07542	9.9
163.06004	42.9
168.06541	2.6
169.04941	2.4
186.07626	2.0
187.06042	4.6
203.07082	2.8
205.07114	3.3
215.48782	1.6
247.08182	6.9
259.74722	1.6
261.11337	2.1
271.08072	11.7
285.11136	3.8
289.09137	8.8
298.95483	1.7
307.10220	12.9
327.12347	5.2
351.12192	5.4
369.13196	3.2
385.80786	1.8
424.61664	1.8
515.44904	1.9
656.13123	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67623	3.2
53.59420	3.5
70.06582	11.8
71.04980	20.0
71.15774	3.8
78.13718	4.0
84.08134	10.4
99.35439	4.1
106.06528	8.4
108.08120	8.1
119.06036	4.7
120.08092	22.1
122.11026	4.5
129.10210	9.6
133.07648	10.5
136.07559	6.6
145.07719	5.0
161.10733	66.4
162.11330	5.5
163.08635	11.4
171.09184	5.1
172.03941	20.1
172.09933	8.3
172.80518	4.7
173.10660	6.0
176.13103	8.3
185.10747	12.3
187.12369	6.0
189.10246	9.7
192.12572	51.5
201.10236	17.1
202.11008	7.0
203.11801	26.0
204.06583	17.5
204.12653	4.4
215.11826	38.6
219.11327	14.7
233.12801	79.2
263.11740	8.7
279.11206	13.2
281.12961	6.3
293.12909	6.7
297.12512	6.5
309.12250	13.3
321.12332	10.5
322.15939	5.8
339.13223	5.2
369.14279	7.1
392.16080	14.2
424.18686	16.6
589.26056	5.8
692.98145	5.7
714.31348	36.9
746.33844	100.0
761.85553	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	747.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32442	14.9
54.30849	19.6
59.06838	14.6
63.98837	16.5
70.06588	28.4
73.10265	16.4
75.81818	18.0
79.73055	16.7
86.48857	18.9
91.71667	51.4
122.50996	20.8
134.93082	19.1
142.60269	20.7
146.69615	20.3
153.38831	19.7
166.60869	26.0
167.15298	18.9
183.95723	19.0
259.31833	23.5
321.88116	23.1
434.11420	25.9
475.95261	23.2
509.23181	22.7
540.14026	27.7
572.16809	100.0
590.18494	89.4
685.67462	26.6
685.77899	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	747.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70622	3.6
67.58288	3.7
76.16048	4.4
87.47811	4.8
87.96123	5.1
118.70261	4.5
169.22781	5.3
198.01016	4.7
204.06454	10.6
317.09161	5.8
331.10431	10.3
339.13388	11.6
360.28650	5.8
377.11301	6.5
486.67444	5.9
532.20422	6.4
535.58673	5.7
540.16888	15.8
558.18323	89.3
559.18958	7.5
590.20953	100.0
715.25769	7.8
747.28278	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	748.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20953	8.3
57.85355	9.1
58.89174	7.7
59.42356	7.7
77.74914	10.6
94.32153	8.6
108.08113	15.3
108.72369	9.1
115.61541	10.1
115.76855	8.2
120.08057	15.2
121.10523	8.9
130.67761	9.0
132.08109	13.6
134.09695	18.0
146.05988	13.0
147.09187	12.7
148.07565	16.4
161.10703	56.3
162.11501	31.8
172.03893	30.9
173.10730	20.9
175.12308	17.2
191.08110	63.2
204.06508	50.7
205.09744	39.0
206.10515	100.0
207.11267	55.2
219.11212	60.0
290.09119	17.4
291.11057	11.7
293.12692	11.9
334.15469	15.4
345.45218	10.5
377.72125	12.3
378.14429	31.4
410.17075	34.0
415.15250	18.0
474.16510	26.0
492.17596	32.2
579.00275	11.0
629.79309	11.6
680.27081	16.7
698.28369	57.8
712.28162	16.3
716.28882	22.5
730.30273	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
55.05488	5.4
57.07066	12.2
61.96224	1.1
67.05499	7.5
67.26367	1.2
69.03435	1.7
69.07053	5.4
71.08620	8.2
71.39137	1.3
71.55903	1.4
79.05486	3.1
81.07045	28.8
82.77848	1.9
83.04973	1.5
83.08616	4.3
83.49160	1.3
85.10183	4.7
91.05463	2.1
91.71633	1.5
93.07024	3.9
95.08605	13.4
105.07016	2.9
107.08572	5.4
109.06522	11.9
109.10157	6.0
111.04441	16.1
111.08121	1.7
119.08559	3.9
121.10147	4.1
123.08068	1.9
123.11698	3.8
124.61018	1.4
125.06037	4.7
127.97522	1.6
131.09735	1.3
131.40268	1.5
133.10149	4.4
135.08005	2.6
135.11717	3.6
137.05968	100.0
137.13254	2.3
147.11694	6.0
149.09642	5.8
151.07585	3.1
161.09648	5.7
161.13260	2.7
163.11227	2.7
165.09114	2.9
171.11768	1.8
175.11217	4.6
175.14728	2.1
184.07356	4.4
193.12297	1.8
203.17987	5.1
205.19351	1.8
213.16440	2.7
231.17401	7.6
249.18578	3.4
253.09842	1.9
259.16846	1.9
277.17960	31.2
295.18985	10.6
313.27368	9.0
320.22342	3.6
351.21555	6.1
589.44574	46.3
590.43774	2.6
592.41980	1.9
607.45148	11.2
612.69275	2.0
689.79266	1.9
698.33508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	7.8
68.85281	2.0
71.07356	6.9
86.09697	39.3
98.98401	2.3
104.10700	2.7
104.86398	2.3
125.00003	25.3
142.64737	2.3
164.23369	2.2
169.92740	2.7
184.07333	100.0
215.92331	2.6
234.76831	2.2
236.14909	5.2
271.74490	2.7
308.45300	2.5
349.85858	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	748.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	55.3
59.07360	16.8
60.08161	15.7
64.48164	7.0
64.81712	6.8
91.71704	9.0
95.08624	8.3
95.29180	7.5
144.10204	23.4
162.11212	11.7
172.68134	8.5
236.14870	100.0
249.03831	9.2
513.55536	9.5
730.55798	24.9
748.57184	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	748.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07714	2.9
53.94250	2.8
56.05030	3.4
57.03415	6.4
57.07058	7.3
58.06342	5.1
58.06591	49.9
59.07367	15.9
60.08149	17.6
67.05492	5.7
69.07047	3.2
70.32171	2.9
71.08603	4.1
75.04469	4.6
87.04460	4.6
89.63180	4.0
93.09561	4.3
144.10179	18.3
156.21635	3.9
156.26039	3.6
162.11232	6.4
172.74533	3.9
182.54286	3.7
236.14880	100.0
240.19649	3.7
262.17496	4.1
277.01379	4.4
356.54373	4.5
456.37100	6.2
474.38089	12.1
711.26434	5.0
730.55957	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62106	5.2
57.03407	7.4
57.04596	5.6
58.06594	62.9
59.07372	16.0
60.08148	25.4
67.05486	7.9
74.28017	6.4
81.07034	8.4
83.08598	7.2
89.53887	6.7
90.06257	6.5
91.05516	8.3
95.08627	8.3
97.23367	7.5
100.65884	7.5
103.12262	5.5
131.22202	6.0
140.59113	7.0
144.10222	23.9
168.80133	7.4
234.98367	6.6
236.14923	100.0
255.25899	7.9
456.36816	8.1
474.37994	11.9
644.57648	8.3
739.14197	8.6
748.57166	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81188	3.9
57.07057	10.8
58.06593	57.3
59.07371	11.7
60.08134	10.9
63.66489	4.6
67.05475	7.0
71.08624	5.8
75.04453	6.1
82.45077	4.4
84.06699	4.1
87.04440	6.5
91.48193	4.8
103.55895	4.5
120.89700	4.6
138.93062	5.8
144.10181	16.0
174.52220	5.6
184.52197	5.4
193.95573	5.3
236.14888	100.0
282.33966	5.1
344.41254	5.8
367.29239	5.7
474.37903	14.0
703.61066	5.9
730.45642	6.3
730.56250	66.1
768.64423	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	749.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46830	43.4
70.06578	50.6
74.65067	48.6
76.15858	46.8
76.24159	54.4
82.55364	48.4
93.36845	46.4
111.75361	55.6
117.45174	51.4
118.52863	52.5
171.40561	53.0
202.01041	58.3
223.22838	52.4
442.56073	62.4
691.25726	61.8
708.48456	63.4
713.21600	100.0
747.77094	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39252	11.9
66.17599	11.3
70.91849	11.7
105.92450	13.1
111.71868	14.6
155.99780	14.2
174.99097	14.2
185.34454	14.7
304.20071	15.1
378.11349	24.7
448.11414	27.2
496.12164	20.6
681.19373	21.6
713.21387	79.6
717.21228	24.1
731.22504	27.4
749.24188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17600	14.0
64.64803	14.5
70.06591	26.8
70.47739	14.0
74.58636	13.9
78.51341	14.9
85.07712	15.7
87.52773	14.0
91.70196	16.5
92.30629	14.5
96.73084	15.4
142.64754	17.5
398.11850	18.4
432.08536	30.4
542.13287	23.5
560.13385	51.7
583.15704	20.9
592.16272	100.0
615.17816	35.6
699.19470	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5174
Annotation	Azithromycin
Peak:m/z	Relative Intensity
54.23638	4.5
58.06589	10.2
60.08130	5.2
63.52446	4.3
82.18360	4.8
98.14519	4.8
136.97681	4.6
144.10202	5.6
236.14859	10.3
321.44855	5.9
385.95770	5.6
396.66025	6.4
528.45435	5.9
689.43335	5.7
697.22742	6.5
749.51520	100.0
765.53638	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	750.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
74.08540	2.4
74.72761	2.2
87.52078	3.2
91.71667	4.4
120.08109	6.6
126.04163	2.7
131.08690	2.9
132.08099	4.7
134.09671	10.9
136.07565	7.8
144.04329	3.1
146.06000	3.4
146.08408	3.9
147.09174	7.7
148.07610	10.3
148.11211	3.0
152.07112	5.0
157.24632	3.1
159.09183	6.7
160.09914	3.4
161.10719	22.8
162.11545	11.4
163.12262	3.7
164.07071	9.8
166.08641	7.2
172.03931	14.7
173.10756	8.7
174.11528	4.7
175.12289	25.8
191.08141	18.1
204.06589	18.2
204.08887	4.3
205.09738	23.3
206.10461	26.4
207.11337	12.9
210.45650	2.8
219.11284	100.0
220.11719	3.4
237.12238	3.4
251.11919	4.1
263.11795	14.7
264.28131	2.9
265.13330	6.7
279.11304	11.4
291.11423	6.5
293.12817	9.5
296.11853	4.5
297.12299	5.2
309.12338	26.7
311.13846	9.9
319.10901	4.1
321.12253	3.6
337.11896	13.0
339.13446	12.4
369.14398	48.7
371.15985	11.2
378.14627	7.1
410.17166	10.1
446.20377	3.4
494.19022	5.1
575.24615	7.0
656.29816	5.3
700.29620	26.0
718.30847	17.1
732.32434	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	750.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68864	8.1
57.07053	28.1
58.06598	50.0
59.07358	17.2
60.08152	12.8
67.05484	20.6
68.67371	8.4
69.07043	11.1
71.07365	29.4
71.08614	25.8
79.05457	28.4
81.07045	35.7
83.08588	13.6
86.09696	100.0
87.04453	21.5
88.07096	10.5
88.07630	27.7
88.11241	20.5
91.05458	14.4
91.71762	10.6
93.07043	27.4
95.08571	22.8
109.10156	11.6
119.81066	11.8
144.10225	21.2
146.98146	74.3
236.14862	93.1
330.26303	11.7
384.77325	11.9
524.34900	15.1
524.94739	12.9
531.60278	12.2
533.09222	12.8
567.43964	53.2
632.80286	11.9
687.91058	12.5
691.42883	36.2
750.58667	59.5
779.03308	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	750.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
58.06610	0.6
60.08154	10.7
60.27759	0.2
64.68618	0.2
67.05503	0.3
68.73797	0.2
71.07362	4.5
77.83418	0.4
79.05480	0.3
81.07040	0.3
83.19659	0.2
86.09694	43.4
87.10034	0.3
94.88442	0.2
95.08602	0.2
98.98451	3.3
104.10732	2.3
124.99989	23.4
142.02638	0.4
166.02640	1.2
184.07323	100.0
185.07698	0.7
236.14793	0.5
372.78751	0.3
402.62457	0.2
517.29541	0.3
750.50098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.2
53.03952	2.3
55.01855	3.1
55.05292	1.9
55.05508	22.1
56.64489	1.9
57.03436	16.9
57.07070	4.1
57.36357	1.9
60.08153	5.7
61.02913	6.1
61.50631	1.9
61.61362	2.4
67.05498	100.0
69.07058	20.6
71.04982	4.0
78.83711	2.2
79.05492	54.1
81.07050	97.6
83.04971	3.5
83.08605	13.8
85.02906	4.4
85.06548	4.0
86.09698	16.1
86.49528	2.4
87.04440	2.9
91.03955	2.6
91.05482	45.8
93.07040	85.1
93.07638	4.6
95.04967	9.7
95.08603	66.2
97.02894	2.8
97.06542	2.9
97.10187	3.4
99.08112	3.8
105.07023	40.0
107.08588	47.4
109.06490	5.9
109.10147	28.4
111.08064	4.1
117.07022	7.2
119.08600	25.3
121.10139	42.0
123.11711	11.1
125.00033	5.8
131.08572	22.9
133.10156	20.1
135.11684	31.9
137.09540	2.5
137.13216	3.6
139.11073	2.4
145.10124	17.9
147.11671	13.7
149.13226	12.1
159.11710	13.8
161.13283	7.3
171.11699	5.3
173.13278	8.2
184.07330	37.7
187.14873	3.7
203.18405	2.5
213.16411	3.0
215.17908	11.7
231.17467	3.1
233.18958	11.5
247.20560	5.2
277.75995	2.3
287.29044	2.6
291.23828	2.6
293.21185	5.4
295.22394	2.6
307.22672	44.2
319.22751	3.3
321.24228	43.4
323.25809	4.2
335.25726	7.8
358.19873	2.4
384.37128	3.1
387.62512	2.6
543.29755	3.4
553.42517	9.9
571.43481	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	750.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.4
57.07075	6.4
58.06592	54.3
58.06836	4.9
59.07385	12.7
60.08170	12.9
60.33705	2.9
63.03791	2.4
64.21060	3.1
71.08636	8.6
75.04511	4.6
81.07079	4.3
82.66613	3.2
85.00564	3.0
85.02899	5.2
86.09711	4.0
87.04477	9.6
95.08624	7.5
105.33945	3.4
110.15737	3.7
114.47857	3.5
123.58766	3.9
144.10196	25.4
151.54880	3.5
161.02907	3.5
162.11424	5.2
178.85468	3.4
184.07381	4.5
236.14915	100.0
236.17204	5.3
313.83356	4.1
427.57669	4.1
456.36789	5.0
474.37997	14.5
750.58868	84.6
751.58838	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	750.5872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.0
57.03427	5.3
57.04862	1.4
57.07065	8.0
57.69790	1.3
58.06308	2.9
58.06594	53.1
59.07372	10.7
60.08158	18.0
64.90936	1.4
66.65096	1.5
67.05484	4.3
71.08619	4.5
75.04472	4.0
76.19582	1.5
77.03857	1.5
79.05491	2.5
81.07047	4.3
85.02897	2.8
85.10173	2.3
87.04471	2.2
91.05474	3.4
91.71080	3.5
93.07056	1.8
95.08587	2.9
102.17449	1.8
105.07031	2.5
113.05996	2.4
119.08565	4.3
144.10190	16.2
157.00453	1.7
162.11246	6.8
175.25121	2.0
200.12762	2.5
206.90678	2.0
218.13855	2.8
229.30261	1.9
236.14900	100.0
256.19562	1.9
286.25308	1.9
313.27002	2.3
429.71472	1.8
456.36835	6.8
474.37808	12.0
476.33734	2.9
494.34842	3.6
732.57660	76.4
733.57520	5.1
778.58142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91550	8.4
64.28783	8.1
66.06743	7.1
70.06576	10.9
70.09075	7.4
87.82939	9.3
93.28227	7.9
138.41252	9.5
138.79524	8.8
222.03723	9.1
239.94038	11.4
418.03802	10.7
685.98761	11.8
751.23767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
85.07655	46.9
91.57562	14.8
92.15154	16.1
158.09456	16.5
163.08685	33.6
164.09413	22.2
166.08673	28.3
177.10165	100.0
185.20779	16.9
204.06575	21.2
211.61404	16.6
220.14442	26.7
279.11301	17.3
309.12115	40.1
369.14368	33.1
434.14258	18.4
440.26215	20.5
579.38275	18.8
630.85925	20.7
719.33783	31.9
733.34064	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	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.3
57.07069	97.5
57.07344	5.6
57.89001	3.1
60.35452	2.6
62.51799	3.7
70.06471	3.6
87.04459	38.1
89.06023	100.0
91.05443	7.6
93.07040	4.5
93.90317	3.9
95.04961	8.8
96.96611	3.3
98.16085	3.8
118.07805	5.2
119.04945	6.1
119.08560	8.0
121.06498	34.9
123.01215	3.6
130.08620	31.1
131.07057	16.5
133.08594	70.6
147.08046	10.6
150.06764	7.0
163.11180	5.6
165.09143	16.3
175.09642	6.8
177.11220	29.4
221.13843	5.3
233.18944	20.9
238.41006	4.5
245.69937	3.9
277.21576	27.9
283.17627	5.5
321.24228	6.1
391.41824	4.8
555.68958	4.3
681.38281	4.6
690.67102	5.6
752.51416	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	752.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73622	1.2
57.03431	1.2
58.06593	9.6
59.07376	2.6
60.08157	9.3
62.54702	1.2
65.60826	1.1
65.70392	1.6
67.05493	2.6
71.07370	6.4
74.09703	5.1
81.07036	2.6
86.09700	47.4
96.86631	1.4
98.98460	3.6
104.10731	2.4
109.81913	1.2
124.99995	20.6
144.10207	4.3
166.02652	1.4
184.07335	100.0
184.27455	1.5
236.14893	21.6
237.15388	2.2
292.45914	1.7
406.07452	1.5
456.36810	2.6
474.37784	2.9
610.37225	1.9
734.59076	8.7
752.60693	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	752.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39819	1.2
58.06591	5.0
59.07375	1.9
60.08166	11.4
71.07351	4.5
74.09687	2.9
81.07043	1.9
86.09698	45.5
87.27966	1.4
98.98459	3.3
104.10725	3.2
111.71009	1.3
125.00005	22.5
166.02718	2.0
184.07336	100.0
236.14973	5.0
237.15125	3.0
268.59555	1.7
303.10480	1.8
397.84235	1.7
432.90640	1.9
461.00198	1.9
610.72040	1.7
683.27533	2.0
696.61121	2.1
734.58246	3.7
752.50739	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	752.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.8
57.03435	7.0
58.06605	6.6
60.08131	6.2
67.05502	49.3
69.07066	16.9
69.89304	5.2
74.09703	11.9
79.05490	17.0
81.07051	45.6
83.08618	8.0
86.09709	37.5
91.05463	13.1
93.07042	21.5
95.08604	29.2
105.06994	10.0
107.08591	9.5
109.10156	17.4
114.62223	7.1
121.10137	18.2
123.11731	9.8
125.00018	19.4
135.11707	9.6
184.07332	100.0
212.17284	7.1
236.14940	9.2
295.22733	11.5
307.22552	8.6
309.24164	9.1
321.24277	9.4
323.26019	7.2
335.25943	8.9
715.04590	8.1
756.34290	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	752.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97240	3.4
55.97314	3.4
57.03426	10.1
57.07055	13.3
57.67713	3.4
58.06594	65.4
59.07376	24.9
60.08151	22.4
67.05488	7.6
69.07051	4.9
71.08613	5.3
74.09698	16.3
79.05479	4.1
84.08131	4.4
85.02910	5.8
85.10146	7.3
86.09676	4.0
87.04434	5.3
91.05496	6.0
95.08597	8.9
105.06985	4.8
123.23756	3.7
126.37482	4.0
135.46628	5.0
144.10168	21.9
144.72354	4.6
162.11232	9.9
180.38272	4.5
184.24994	4.5
236.14905	100.0
362.64398	4.3
385.41046	4.5
387.32513	4.4
442.35028	6.9
442.93970	5.0
460.36191	17.9
654.49084	10.2
694.51984	11.1
716.54407	6.7
734.55048	18.4
752.56708	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	752.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	2.3
57.07053	3.6
57.23841	1.6
58.06591	28.4
59.07364	7.1
60.08159	16.6
67.05148	1.5
67.05493	4.5
71.07359	5.5
71.08609	3.4
74.09707	6.8
79.05466	1.6
81.07042	4.1
86.09694	41.0
86.88480	1.7
87.04428	2.0
93.07044	2.2
95.08621	2.9
98.98477	2.8
104.10736	2.0
109.10223	1.7
124.99991	20.8
144.10201	9.2
148.10292	2.0
162.11191	3.3
184.07330	100.0
185.07622	2.3
186.47295	1.9
236.14902	57.7
255.11133	1.9
456.36606	4.2
474.37881	6.3
706.05469	2.4
711.93103	2.0
734.59009	36.8
752.59613	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	752.6024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25032	2.3
57.07064	6.1
58.06588	31.4
59.07364	9.1
60.08155	18.1
67.05489	5.4
71.07367	5.2
72.22964	2.2
74.09702	8.5
79.05453	3.4
80.65633	2.8
81.07015	2.7
86.09693	47.4
98.98476	3.4
122.43668	2.5
125.00008	23.7
127.27900	3.0
139.79468	2.6
144.10191	11.2
162.11105	3.1
164.04054	2.8
184.07323	100.0
236.14896	66.7
316.12985	2.9
352.88458	3.2
354.32465	3.6
384.15277	3.1
433.33945	3.5
456.36584	3.7
474.37823	6.4
548.13928	2.9
734.59161	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	753.358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	63.7
58.64512	9.5
65.37478	10.5
70.26293	9.5
95.66521	10.0
98.97567	66.2
100.29415	11.9
116.98605	40.9
124.14888	10.7
128.98611	15.6
131.00151	22.4
134.99649	15.6
136.72919	9.5
140.00159	59.0
146.99623	13.8
149.01254	34.6
152.00197	16.4
154.01744	31.7
158.01323	24.1
158.99634	28.6
170.01260	14.5
170.99641	21.2
172.02798	55.2
173.01387	9.9
173.03162	11.2
177.00740	29.6
181.02815	20.6
184.07272	11.9
189.00717	33.9
191.02422	13.1
195.04430	17.0
195.70695	11.6
200.02275	65.7
212.02353	72.1
219.01546	14.0
242.03407	17.4
260.04550	12.6
261.02808	23.8
279.03720	13.3
293.05463	13.8
302.05414	46.6
316.06885	33.4
321.04950	100.0
334.08072	36.3
362.07495	50.5
377.24921	16.0
437.09656	31.6
455.10632	53.7
468.46021	12.1
666.71375	12.7
693.33752	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	754.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
60.08153	9.3
71.07363	4.3
80.25242	0.5
86.09696	45.1
98.98454	2.4
104.10723	2.8
122.50587	0.6
124.99995	22.1
139.29323	0.5
155.22246	0.5
166.02660	0.9
184.07333	100.0
185.07637	1.0
525.42737	0.6
754.53424	1.8
775.66901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68449	11.7
58.06603	73.9
59.07385	18.8
59.45096	10.0
60.08156	21.4
67.05508	18.5
79.38052	11.9
81.39664	11.4
86.09711	47.1
91.71630	17.2
110.53897	16.1
119.29905	12.7
127.78614	14.4
144.10188	29.5
184.07437	54.8
185.07904	12.5
236.14922	100.0
263.90521	14.4
496.36435	17.0
754.55853	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.1
57.03424	5.6
57.07047	6.6
58.06592	61.0
59.07374	14.0
60.08147	16.4
64.05164	1.9
67.05482	5.2
69.07042	3.9
71.08601	4.2
75.04478	4.4
76.49750	2.0
76.70170	1.8
79.05508	3.1
79.40672	2.1
80.53751	1.8
81.07042	2.3
84.11671	2.1
84.93194	2.1
85.02905	3.6
85.10184	2.9
86.09698	3.5
87.04453	4.4
91.05478	2.2
93.07041	3.1
95.08568	4.5
124.81769	2.5
131.07028	3.1
144.10159	14.8
162.11249	5.3
184.07327	4.6
188.76547	2.7
236.14906	100.0
269.43381	2.3
442.35153	6.3
460.36197	10.3
463.12372	2.6
512.35645	4.1
654.49274	17.4
718.56018	6.7
736.56946	24.6
754.58209	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.3
57.03430	2.7
60.08147	2.7
61.02912	10.5
66.47224	2.0
66.72060	2.4
67.05494	14.8
67.46551	2.2
69.03426	7.2
71.04974	2.7
71.07368	3.3
73.02899	4.9
79.05486	8.1
81.03417	4.7
81.07053	12.0
85.02901	13.8
86.09707	12.1
91.03960	8.0
91.05488	7.0
91.71650	4.5
93.07042	8.0
95.08587	7.6
97.02892	12.7
101.02402	6.2
102.49953	2.7
105.07019	4.1
107.08582	5.6
109.10166	3.5
121.10218	4.6
125.00037	6.8
127.03968	3.6
184.07358	32.3
192.85388	3.5
208.66693	2.8
236.15126	3.6
243.08363	3.1
272.44077	3.1
316.54102	3.0
489.16827	3.1
491.26276	11.5
537.74652	3.0
610.46130	3.3
639.36255	3.5
755.47003	100.0
756.47485	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	756.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39732	0.4
56.05010	0.5
58.06599	0.4
60.07870	0.8
60.08155	9.7
60.33898	0.5
62.10858	0.5
62.93584	0.5
71.07354	4.0
77.00355	0.5
86.09696	41.3
98.98466	3.6
104.10742	2.9
124.99997	23.8
166.02625	0.9
184.07327	100.0
185.07678	0.9
242.65585	0.5
247.35522	0.5
331.79181	0.6
339.52176	0.6
756.54755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32403	0.6
54.11923	0.6
56.78346	0.5
60.07900	0.8
60.08156	9.9
71.07363	4.9
77.43317	0.6
85.56586	0.7
86.09698	43.9
98.98451	2.8
104.10719	3.2
124.99995	25.1
140.35347	0.7
152.41603	0.8
163.83353	0.7
184.07330	100.0
218.46239	0.7
220.74744	0.7
316.25739	0.8
548.43018	0.7
718.60980	0.8
756.54803	3.1
757.42310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.8
58.06608	0.5
60.07866	0.6
60.08153	9.8
63.21808	0.4
67.05489	0.4
69.07045	0.4
71.07059	0.4
71.07363	4.6
71.86653	0.4
86.09695	45.1
96.64001	0.4
98.97968	0.4
98.98462	3.6
104.10760	2.7
106.89960	0.4
118.00946	0.5
124.99995	23.2
127.52769	0.4
160.32556	0.4
163.88481	0.4
166.02654	1.2
167.64127	0.4
180.14545	0.4
184.07327	100.0
185.07645	0.5
228.31969	0.5
345.00067	0.4
636.33417	0.7
756.54456	1.7
757.52570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36730	2.5
55.05494	4.9
57.03425	10.1
58.06312	4.0
58.06594	64.8
59.07372	16.8
60.08154	25.8
67.05492	12.1
69.07059	2.9
71.07366	4.2
75.04452	3.8
76.60353	3.0
79.05466	5.6
81.07043	6.5
85.02885	7.2
86.09698	29.1
87.04457	5.6
91.05482	4.6
93.07052	7.5
95.08597	9.2
112.54241	2.8
113.05989	3.7
124.49789	3.1
125.00014	12.6
125.43082	3.0
144.10208	19.2
150.08861	3.2
162.11250	4.6
184.07320	53.7
192.48209	3.5
202.09828	3.2
205.49783	3.3
207.46556	3.5
236.14900	100.0
360.54364	3.7
427.02942	4.1
478.35046	7.9
496.36240	16.8
669.50275	18.0
756.44788	5.7
756.57635	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03419	3.5
58.39516	1.0
60.97867	1.2
64.24710	1.1
69.03429	2.7
70.06576	4.6
71.04979	17.3
81.03392	1.8
83.04973	5.3
85.02894	24.9
99.04402	1.7
111.04449	2.7
122.81864	1.3
128.29999	1.5
129.05499	4.3
143.01788	1.4
153.01833	3.4
153.39745	1.3
165.01886	1.4
229.04941	2.8
236.28494	1.6
257.04550	1.7
280.38205	1.4
303.04950	100.0
387.63202	1.6
465.10062	2.9
490.83014	2.1
522.45868	1.7
550.28925	1.9
694.83575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	9.7
64.01929	1.1
71.07367	3.9
78.53197	1.1
86.09697	37.5
87.10019	3.4
98.98482	3.3
104.10732	3.4
115.20705	1.1
123.72175	1.1
125.00000	22.1
126.00419	1.3
130.19316	1.2
184.07327	100.0
185.07774	7.7
200.39696	1.3
247.79118	1.4
264.62704	1.2
283.13239	1.3
370.26337	1.4
589.32538	1.4
689.11383	1.7
757.42352	12.5
757.55164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	6.4
60.08149	7.6
60.36484	4.1
61.93391	4.3
73.02921	4.5
77.35326	4.4
85.36892	6.1
86.09691	39.1
86.47475	4.9
90.09835	4.6
94.78891	5.2
117.64926	5.1
125.00006	22.5
130.82939	4.8
132.55080	5.4
140.17854	4.9
159.51097	5.8
184.07332	100.0
185.07721	10.5
228.33807	5.9
230.08997	5.7
253.00000	5.8
590.20587	5.0
670.50256	8.6
686.35925	6.2
757.48334	20.2
757.59070	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	758.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
58.06580	3.0
59.18914	0.9
60.08157	8.7
63.24454	1.0
65.74723	1.0
71.07366	3.8
73.43066	1.1
86.09698	43.2
98.98469	1.9
104.10747	2.1
124.99988	21.1
139.28041	1.4
158.81772	1.3
184.07330	100.0
236.14915	3.0
247.93640	1.2
357.84097	1.4
415.95984	1.4
452.77173	1.4
569.15875	1.5
758.57727	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	758.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74546	2.0
55.05499	3.7
57.03424	9.7
57.07057	6.7
58.06594	62.2
58.59416	1.8
59.07373	18.8
60.08157	25.8
64.90610	2.0
67.05515	2.9
67.47332	1.9
69.07050	3.5
69.84708	2.2
69.94999	1.9
71.08624	4.2
75.04454	4.1
78.54786	1.9
79.05489	2.8
81.07026	4.4
81.41987	2.1
84.08121	2.8
85.02850	3.7
86.09705	17.4
86.76099	2.4
87.04459	5.5
87.10011	2.8
91.05465	8.2
93.07054	3.5
95.08591	4.9
100.11272	2.3
105.06990	3.2
105.47665	2.3
106.42645	2.3
117.07085	2.4
118.45404	2.2
125.00014	9.5
144.10197	18.8
162.11200	5.0
184.07332	34.4
185.07709	6.0
236.14919	100.0
236.66298	2.4
456.36649	6.4
474.37787	17.8
520.36145	6.4
584.95789	3.1
678.45740	2.7
695.90680	3.3
758.59045	66.3
759.59039	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	759.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.2
57.07071	6.5
57.39243	5.6
58.06590	64.2
58.53582	4.3
59.07380	13.6
60.08162	12.9
67.05521	5.7
69.88230	4.5
71.08628	5.0
71.60844	4.3
75.04475	6.3
78.51884	5.0
85.02912	7.4
86.09694	13.9
87.32915	5.1
91.71609	5.2
110.03596	4.9
124.99995	7.9
144.10257	22.8
146.08076	5.2
162.11247	7.3
165.76137	6.1
184.07253	26.4
236.14915	100.0
237.15353	16.1
322.40018	6.7
360.86960	6.7
439.36853	7.0
456.36765	9.2
474.62198	6.9
486.99942	5.8
500.39975	6.9
501.92087	5.9
758.58698	39.8
759.44244	62.5
759.59326	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	759.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	36.7
57.03429	16.2
61.32103	14.9
67.05487	100.0
69.07064	25.6
76.35683	15.0
79.05488	70.5
81.03414	27.0
81.07044	88.2
83.04909	17.1
85.02904	23.7
87.68881	16.3
91.05475	46.2
93.07045	59.6
95.04939	37.1
95.08578	32.4
97.02920	31.9
105.06991	33.7
107.08609	22.0
109.06546	22.3
109.10194	33.2
119.08595	50.1
121.10152	25.1
135.07994	28.9
138.16597	19.9
145.10129	20.6
150.96382	21.7
257.38089	20.5
273.18573	40.0
307.22665	57.9
376.34500	24.3
682.85297	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	760.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35701	9.9
72.24892	12.8
84.04483	16.8
107.04969	100.0
121.06575	15.0
123.04439	39.0
137.05962	16.7
186.46521	11.4
257.02805	26.8
269.39185	13.5
396.08862	20.5
422.10559	72.6
439.90619	14.6
512.14923	18.5
522.83075	14.8
525.13049	18.4
528.14380	15.5
635.08130	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	760.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64085	10.5
55.05499	18.1
67.05498	71.2
79.05470	37.1
81.07045	48.6
86.09716	16.1
91.05463	75.9
91.71073	15.9
93.07038	54.2
95.08591	56.2
105.07034	29.4
107.08614	22.9
117.07005	29.4
119.08575	16.3
131.08568	20.1
159.11678	18.4
166.42007	18.6
184.07387	34.8
230.48825	17.8
251.14867	14.9
282.30731	15.7
315.25204	17.5
335.25769	23.2
404.58820	15.8
494.23361	18.1
619.46979	100.0
622.88269	17.5
760.44159	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
55.05495	2.7
55.53209	1.8
57.07067	45.7
58.48053	2.1
64.87746	1.5
69.07054	5.6
70.02048	1.9
71.08624	43.1
73.06546	12.4
83.08625	4.8
85.10172	23.1
86.09705	3.2
87.04462	15.4
89.06023	100.0
91.71043	4.6
97.10165	7.2
104.18521	2.4
111.11726	3.3
114.09158	3.8
117.09153	11.1
130.08621	28.8
131.07065	4.9
133.08600	59.7
162.66553	2.0
163.58089	2.2
177.11194	22.7
180.62347	1.9
184.07343	3.8
192.08295	2.3
221.13959	5.4
241.25058	2.5
285.27914	7.0
329.30334	3.0
689.39825	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	761.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65543	11.2
53.72184	10.2
56.41199	10.5
61.91835	11.2
85.26564	12.2
89.07666	12.0
160.30034	15.9
170.02841	14.7
180.49857	15.0
181.95461	13.7
183.13853	14.3
236.14966	19.2
272.19836	14.9
283.87924	14.6
315.32251	19.3
489.60669	19.2
761.45642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70148	12.1
54.36235	9.1
55.01851	13.7
55.05503	62.1
57.03419	13.4
63.62521	11.1
64.12918	10.4
64.29305	9.8
65.21729	9.5
67.05490	78.7
69.07053	18.0
72.63659	11.6
73.71262	11.4
79.05489	44.8
79.54095	10.5
81.07032	60.7
83.08613	80.2
89.05996	11.3
91.05492	35.4
93.07027	65.6
95.04924	15.8
95.08588	43.4
105.07027	25.1
107.04977	18.8
107.08572	24.4
117.05244	14.3
117.06998	15.1
117.12764	11.6
119.08553	18.4
121.10121	16.8
131.08627	13.3
133.08618	17.1
133.10107	21.0
145.10100	21.0
149.09621	14.4
158.95004	11.8
163.11171	24.4
230.38124	12.8
235.22960	16.7
238.46559	14.2
307.22580	100.0
406.14075	16.5
467.00192	15.5
515.85968	14.8
581.41693	46.1
592.25391	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	762.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06635	3.4
70.28326	3.5
70.50848	3.1
71.45743	3.0
74.00684	16.3
80.86314	3.6
84.04520	12.6
91.05534	4.5
91.98216	3.8
102.44377	3.3
105.07072	3.6
107.04993	14.6
108.03677	4.0
126.34784	3.8
129.06618	4.8
130.05031	8.1
156.58028	4.1
169.06470	6.7
175.38831	4.6
177.03453	4.7
211.07626	7.6
215.07115	9.3
226.06314	9.8
227.07065	16.2
229.08727	14.3
241.08521	36.5
245.02826	13.0
254.37929	4.4
258.03473	31.3
259.04276	12.0
336.89755	4.7
487.12070	100.0
565.04871	4.8
570.63873	5.3
633.18817	12.4
639.50464	4.9
756.24622	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	762.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91984	4.1
67.58861	4.0
70.68047	3.7
71.01341	10.3
71.04962	23.0
73.02933	5.4
76.11498	4.0
79.04434	5.3
79.34548	4.1
83.04995	5.5
85.02896	38.4
89.51995	4.3
91.05466	14.2
97.02875	16.5
109.02873	5.5
119.04926	34.5
120.85783	4.1
128.06328	4.3
129.05476	11.2
135.04399	14.0
141.49153	4.9
165.07033	7.1
183.08054	14.1
188.42805	6.0
211.07477	8.4
229.08582	100.0
313.70108	5.4
343.59360	5.2
353.61386	4.9
405.11813	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	6.6
56.08062	4.8
57.07064	21.4
58.06589	10.7
58.42479	5.0
63.68325	4.6
67.05495	21.0
69.07043	5.5
71.08622	17.9
73.21560	5.8
74.85038	7.4
75.19298	5.7
77.00220	5.3
79.05493	8.6
81.07056	33.3
91.55893	5.5
95.08600	13.7
104.13319	6.4
109.06528	9.1
109.10158	8.6
111.04437	22.0
125.05989	6.4
135.11639	6.1
137.05972	100.0
159.11551	6.4
231.17491	7.9
236.14941	24.3
277.18005	25.8
295.10941	7.2
426.14075	7.7
470.66779	8.3
573.48920	8.0
589.44470	62.4
592.70160	9.3
621.46844	40.1
675.48175	8.5
762.54730	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	762.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01862	2.6
55.05507	19.8
57.03426	21.7
57.07056	5.0
58.06594	2.3
61.02905	7.1
64.19876	1.9
65.03927	5.1
67.05497	100.0
68.59117	2.0
69.07055	18.6
70.55271	2.3
71.04972	3.3
78.74106	2.2
79.05482	58.5
81.03426	2.7
81.07048	86.9
83.04974	4.9
83.08601	11.3
85.02888	5.0
85.06512	6.6
87.68105	2.1
91.05472	72.7
91.71673	5.3
93.07033	77.2
95.04980	12.9
95.08597	59.3
97.02866	4.4
97.06546	4.6
97.10174	3.9
99.08086	6.4
100.87164	2.1
101.05995	2.2
105.07027	59.1
107.08582	31.6
109.06503	3.4
109.10153	24.8
111.08060	3.7
113.83154	2.4
117.07014	16.9
119.08569	44.3
121.10130	33.7
123.08072	2.9
123.11705	9.1
125.09584	2.2
129.06989	12.0
131.08551	21.2
133.10112	29.1
135.08049	2.4
135.11697	24.8
143.08543	8.1
145.10106	16.6
147.11649	21.8
149.09627	2.8
149.13269	11.4
151.11253	2.6
154.92833	2.7
157.10130	9.9
159.11661	20.4
161.13223	26.8
163.11194	3.7
163.14807	4.1
166.47810	2.5
169.10182	2.6
171.11722	11.0
173.13226	13.5
175.14833	14.4
177.12756	3.3
185.13277	6.2
187.14995	3.4
199.14809	5.3
213.16374	3.3
215.17992	10.4
231.21030	4.4
232.17284	2.5
233.18956	6.8
236.14854	3.0
237.38943	2.4
239.17940	4.9
241.19443	20.8
257.19052	3.9
259.20505	13.7
307.22638	90.0
308.22879	3.4
309.24124	3.4
333.24127	27.9
335.25522	3.0
335.52133	2.5
366.88068	2.9
565.42444	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	762.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
53.03929	3.0
54.21811	1.6
55.01859	2.1
55.05508	14.7
56.73418	1.3
57.03436	17.8
57.07063	4.2
57.66506	1.8
59.02611	1.3
61.02904	2.5
65.03906	2.1
67.05497	100.0
69.03398	1.9
69.07057	17.5
71.04983	2.5
79.05489	41.2
81.07047	82.7
83.04951	3.4
83.08605	12.1
85.02892	5.6
85.06553	2.2
91.05472	40.2
93.07038	64.6
95.04969	6.1
95.08598	61.4
96.08056	2.2
97.02888	2.2
97.06519	3.4
97.10146	2.5
97.65359	1.7
105.07014	26.6
107.08591	32.8
108.94969	1.8
109.06502	3.8
109.10165	23.8
114.59629	1.8
117.07039	8.4
119.08577	20.2
121.10135	19.2
121.91246	2.2
123.08025	1.6
123.11704	8.1
129.05481	5.3
129.07024	2.7
130.55624	1.7
131.08545	16.7
133.10133	19.6
135.11685	11.1
137.13239	3.2
143.08551	4.2
145.10106	12.4
147.11664	10.8
149.09558	3.3
149.13246	9.6
157.10101	5.2
159.11696	8.0
161.13258	4.8
171.11707	4.0
173.13283	5.3
184.07246	1.9
185.13240	2.6
186.73163	2.1
187.14861	6.0
189.16393	5.4
201.16341	1.7
203.17978	2.7
213.16455	5.7
231.17482	10.1
231.29129	2.1
243.21103	4.0
261.22183	6.4
275.40808	1.8
305.21075	24.6
317.24792	2.2
335.25763	94.7
337.27335	3.9
361.82196	1.9
427.77881	1.9
555.73889	2.1
565.42529	4.0
583.43231	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	762.551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61848	3.9
55.05504	4.6
57.03441	7.3
57.07064	5.6
57.22685	3.7
58.06595	68.8
58.75832	3.6
59.07360	14.3
60.08145	18.8
67.05476	7.9
75.04441	7.7
81.07036	6.8
84.08153	5.3
87.04464	8.0
91.05496	5.0
102.65656	4.2
121.77013	4.0
136.27441	4.7
144.10188	23.9
214.31914	5.6
236.14922	100.0
290.60333	5.4
380.45709	5.7
456.37042	9.0
474.37976	11.7
762.54907	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.2
57.03415	11.7
57.07074	7.5
58.06310	4.8
58.06593	69.8
58.93896	4.2
59.07364	16.0
60.08158	20.4
67.05483	7.9
70.32913	4.0
75.04487	3.7
81.07051	8.0
83.20379	5.0
86.09705	6.2
86.66911	4.3
90.29717	3.9
91.71738	8.1
93.07019	5.0
95.08591	7.4
131.06950	4.2
132.32841	4.3
144.10190	22.6
162.11273	6.3
184.07390	5.7
236.14902	100.0
237.14816	5.4
456.36929	6.0
474.38171	10.2
762.55103	77.3
763.54730	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	763.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	34.4
73.53576	13.8
89.25712	14.8
93.82241	14.8
120.07991	20.1
121.75487	17.1
147.65115	17.6
202.21468	17.1
268.88028	17.1
281.83099	19.2
574.15051	61.2
597.16211	21.8
606.18042	100.0
763.25122	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	764.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54753	42.4
70.06564	100.0
74.04419	46.4
86.09714	56.6
106.48415	56.1
117.59193	45.6
204.06593	63.0
206.10262	64.3
219.11237	98.4
222.10020	70.2
233.36578	70.8
239.19635	76.7
312.86536	54.2
402.56534	52.4
439.96927	55.1
639.80682	59.3
668.02020	64.0
681.48376	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42240	8.0
57.64885	9.9
66.05898	9.7
69.94720	8.4
70.06588	14.7
70.82305	11.0
84.08102	14.5
91.71602	15.7
96.86919	9.0
100.94859	10.6
108.68134	12.4
118.38954	12.0
119.66740	12.0
120.08103	22.6
144.04428	10.9
146.06035	13.1
147.09155	15.4
159.09253	10.8
161.10713	22.8
168.18866	9.9
172.03957	39.4
175.08673	12.9
177.10219	27.0
178.10982	13.0
191.08133	100.0
191.11833	34.0
204.06508	80.3
218.41168	13.9
221.09177	20.1
222.10036	32.6
223.10757	36.7
233.77190	14.2
235.10764	42.2
243.11119	14.0
278.10223	11.1
288.43466	12.6
350.30624	12.1
361.09424	15.2
394.13974	70.0
412.14658	18.5
415.15192	19.9
426.16443	38.5
474.16431	17.5
492.17526	18.0
511.41959	12.7
696.27112	18.9
707.10883	12.5
714.27563	58.9
746.29724	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	764.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14513	9.2
54.15110	12.0
60.23009	14.1
63.52594	9.8
63.69639	11.4
67.13403	10.4
68.98296	11.8
70.06572	33.3
75.55808	11.2
102.49686	12.3
107.09072	13.1
115.28107	12.0
120.91928	13.0
122.06013	14.7
122.22530	12.7
134.06070	31.4
146.05972	21.4
147.69002	13.5
152.07091	15.7
162.05498	23.8
166.08618	100.0
172.03967	23.9
185.15590	13.5
200.52919	13.0
203.30736	14.7
204.06572	27.3
255.95747	15.9
263.11969	18.4
282.39954	18.3
291.11575	18.3
295.10797	27.9
297.12347	18.0
310.74200	16.0
310.80899	17.8
337.11810	46.8
488.18149	29.5
506.19177	18.9
520.20551	31.9
645.25433	45.1
677.27985	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	764.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05493	22.1
55.82533	3.2
56.23711	2.9
57.03432	18.9
58.40689	4.0
61.02903	5.3
61.99097	2.9
65.03922	5.4
65.46093	3.3
67.05499	100.0
69.07051	18.5
71.03525	3.9
76.56680	3.6
79.05484	61.7
81.07048	82.4
83.08608	8.1
85.02880	4.2
85.06499	4.4
91.05479	36.6
91.71626	5.2
93.07039	82.6
95.04960	13.4
95.08599	63.0
99.08097	5.1
105.07033	23.1
107.08586	29.0
109.10152	25.9
117.06996	8.5
119.08582	28.6
121.10132	40.7
123.11731	9.8
131.08586	18.4
133.10123	25.5
135.11714	20.6
145.10147	12.4
147.11673	15.1
148.76938	4.1
149.13260	15.7
159.11693	11.0
161.13239	7.3
173.13246	12.1
215.18057	8.9
231.17386	5.6
233.19012	10.5
261.22168	10.4
291.80414	4.5
307.22678	50.1
310.19101	4.6
328.72699	4.3
335.25854	39.7
337.27509	6.6
420.43137	4.4
567.44147	10.6
585.45093	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	764.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50785	48.0
67.05494	99.4
73.27670	53.1
73.83399	53.1
78.56577	55.3
81.07058	100.0
87.71042	55.7
91.34827	55.5
95.08598	74.6
97.27478	54.1
115.19761	57.6
134.63289	71.1
141.27260	64.2
187.24075	61.6
307.22952	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44476	0.4
58.65536	0.5
62.10939	0.6
69.03404	1.7
69.07059	0.7
70.06568	1.0
71.04976	1.2
76.02209	1.8
81.03412	1.4
81.07053	0.9
84.04499	7.0
85.02899	4.1
86.99034	0.6
91.05459	2.7
92.65041	0.5
93.07022	1.6
95.04959	1.1
95.08584	0.7
97.02866	2.0
99.04456	3.9
100.14898	0.5
103.03940	3.6
105.00076	0.8
105.07026	6.8
107.08576	2.5
109.02860	1.0
109.06520	4.3
109.10150	2.2
110.26826	0.5
115.05447	0.6
119.08572	1.6
121.10157	1.2
122.02719	9.7
123.08039	1.6
127.03900	4.1
130.04987	5.0
131.08577	6.0
133.10121	100.0
134.10425	1.1
135.08035	3.6
139.17097	0.7
142.03194	1.0
145.04951	1.2
145.10054	1.6
147.11717	1.4
149.13200	1.1
149.72717	0.6
158.10887	1.3
163.05939	0.6
173.13235	6.9
174.13712	0.6
188.03787	1.5
191.14296	12.8
209.15323	4.5
234.04352	1.3
251.06946	23.4
397.99557	0.6
459.21255	1.7
461.99704	0.6
557.15686	0.7
765.30786	1.9
799.63074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18217	3.1
59.21425	3.7
71.42075	3.7
75.48836	3.8
86.75398	4.3
93.43804	4.2
106.06544	11.0
108.08115	5.6
119.06071	27.5
120.08016	5.9
131.07426	6.0
132.06812	7.5
132.08095	7.0
133.07710	6.6
134.08385	13.9
134.09683	5.9
136.07588	7.8
145.07611	15.9
146.05995	8.4
146.08359	9.4
147.09206	16.0
148.07597	7.7
152.07072	5.9
159.09195	15.6
160.09990	12.0
161.10728	21.4
164.07053	16.0
166.08664	19.2
172.03889	28.5
173.10747	29.0
177.10292	11.0
178.11017	6.3
191.11772	37.5
201.22797	6.0
202.48013	5.0
204.06610	28.3
205.09798	15.6
207.07501	7.8
221.09126	24.2
222.09987	33.4
223.10703	15.7
235.08746	3.8
235.10715	100.0
237.10236	6.0
238.10866	5.9
250.10973	6.1
263.11829	20.6
265.13489	6.2
267.11395	6.9
279.11237	26.5
281.12936	7.7
291.11307	9.7
293.12787	11.9
297.12344	14.3
309.12384	38.8
311.13745	7.4
321.12677	5.2
332.00204	5.5
337.11798	18.1
339.13208	11.5
369.14420	56.2
371.16049	13.8
394.13660	8.4
405.19116	5.7
412.15295	6.3
426.16794	10.0
429.91818	5.5
494.18994	12.4
515.23529	6.9
591.24536	13.5
716.29767	28.3
734.29834	17.1
748.31897	44.0
766.32861	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	766.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34983	3.2
65.04780	3.7
70.06586	4.8
71.60755	3.4
87.50781	3.9
94.06550	5.4
100.43572	3.6
106.06572	4.8
108.08146	10.7
120.08076	14.0
132.06833	10.0
132.08131	5.4
133.07658	6.8
136.07591	12.3
146.06076	10.5
146.08412	11.1
147.09210	17.3
148.06404	5.2
148.07582	12.9
148.09981	4.0
152.07030	7.8
157.98889	4.6
159.09215	12.3
161.10727	29.7
162.05571	4.6
162.09245	4.7
163.08548	5.1
164.07071	13.1
166.08638	10.3
172.03868	30.8
173.10690	7.7
175.08774	5.2
176.07030	7.8
177.10260	13.9
178.11002	9.5
189.10214	8.8
190.05063	5.3
191.08145	53.8
191.11795	35.2
192.08899	8.1
204.06548	34.9
204.08896	4.3
205.09666	25.6
217.09772	6.2
221.09242	15.6
222.09871	24.9
223.10794	9.6
235.10741	100.0
235.12944	6.9
237.10110	5.0
239.11806	5.8
251.11855	5.9
263.11899	19.3
265.09543	4.8
265.13324	9.7
279.11304	28.9
283.10660	5.7
291.11267	9.1
293.12762	7.0
297.12366	8.8
302.52826	5.3
307.10986	4.9
309.12335	37.8
311.13635	9.4
325.12149	6.9
337.11798	24.3
339.13330	10.2
350.15289	6.0
369.14432	49.4
371.15988	7.4
394.13962	11.7
426.16641	8.2
472.18530	5.0
494.19687	7.2
591.23993	12.6
716.28979	46.0
734.29468	10.0
740.27734	6.0
748.31775	35.2
776.58691	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	766.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	56.9
59.05007	9.0
61.96148	7.0
70.00465	7.9
70.78587	8.0
79.65021	7.9
87.04468	46.3
89.06011	18.5
95.11735	7.7
103.03924	100.0
121.06475	15.6
131.07138	9.4
147.06520	19.4
150.06853	9.5
184.07268	10.7
233.19112	17.6
277.21432	14.1
355.96378	9.3
479.62024	9.8
567.54242	10.1
695.69775	12.0
780.02203	11.8
782.26453	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	766.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31639	0.5
60.08159	9.1
62.99893	0.5
70.58527	0.6
71.07361	4.2
79.05484	0.7
86.09696	47.2
93.07048	0.6
95.08623	0.8
98.98454	2.8
104.10742	3.0
109.10146	0.8
118.37863	0.7
124.99996	24.0
162.95601	1.3
166.02654	1.5
183.69513	0.6
184.07332	100.0
195.00269	4.1
217.97606	0.6
226.36745	0.7
267.33469	0.7
387.30731	0.8
398.55923	0.8
707.40491	1.1
756.16791	1.1
766.52094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02303	4.3
60.08147	11.1
61.49483	3.6
71.07361	8.9
86.09692	49.3
87.26102	4.5
117.13512	5.0
124.99993	20.2
151.13257	5.0
151.45700	4.5
167.87053	4.4
184.07329	100.0
195.00333	14.1
253.57693	4.8
317.37665	4.8
691.20831	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	766.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.3
57.03426	19.1
57.07067	5.0
65.03928	3.1
67.05495	93.2
69.07055	27.3
71.04948	3.0
79.05490	35.8
79.82712	3.1
81.07050	100.0
82.37836	3.1
83.08612	12.7
85.02904	4.2
85.06571	3.3
86.34313	3.5
91.05469	24.3
93.07040	43.8
95.04987	8.9
95.08597	59.6
97.06512	4.7
97.10168	6.5
99.08112	5.4
105.07030	20.6
107.08574	22.5
109.06450	3.0
109.10161	23.4
111.08155	4.3
116.00166	3.2
117.06944	5.1
119.08568	15.1
121.10107	26.6
123.11726	7.9
131.08578	11.5
133.10132	12.8
135.11700	15.6
145.10034	4.3
147.11719	12.6
149.13284	7.1
159.11769	6.1
161.13297	7.0
173.13292	4.3
204.16385	3.9
213.69093	3.8
215.17946	7.5
227.44023	3.7
233.19075	6.2
235.20633	5.5
261.22238	6.9
273.07587	4.1
307.22720	7.9
309.24234	43.4
335.25851	39.7
337.27405	11.0
370.32867	4.4
418.92731	4.4
482.06357	3.9
568.43799	4.8
569.45496	14.3
587.46808	12.1
684.65656	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	766.582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.5
57.07061	5.1
58.06591	56.0
59.07373	14.4
60.08156	15.5
67.05479	4.6
69.07063	2.1
71.08614	3.7
72.37472	1.2
75.04483	3.0
81.07048	4.7
84.08128	2.0
85.02892	2.8
87.04473	2.9
88.81313	1.3
91.05476	3.3
95.08589	1.9
95.42823	1.6
97.65865	1.5
105.06983	1.4
117.46634	1.4
131.08562	1.9
138.06479	1.5
140.37183	1.4
144.10204	18.9
162.11244	7.1
236.14902	100.0
237.15323	1.6
246.14925	1.6
402.36612	1.5
456.36963	3.7
474.37897	15.0
477.29645	1.6
628.48444	2.2
646.89612	1.7
668.50958	9.8
708.54047	5.1
730.55737	7.0
748.57056	20.0
766.58282	28.0
767.58221	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	767.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18227	2.6
55.05493	5.2
55.58549	3.0
57.03413	9.9
57.07046	2.8
58.06592	35.8
59.07363	8.6
60.06292	3.1
60.08135	7.1
61.02912	12.9
67.05490	18.6
69.03412	8.6
71.06078	2.9
73.02914	7.1
79.05486	12.5
81.07040	9.5
85.02879	15.4
91.03959	8.5
91.05475	14.0
93.07037	14.0
95.04967	3.7
95.08589	8.6
97.02891	9.7
99.04455	4.4
101.02341	4.7
105.07024	8.2
107.08578	4.0
109.10193	4.0
119.08607	7.6
121.10194	7.6
127.03870	3.2
144.10216	12.1
160.17726	3.3
162.11298	4.8
199.11758	3.5
220.90892	3.5
236.14934	49.0
237.15289	8.2
352.83386	3.8
399.02518	4.0
473.56348	4.1
474.37790	4.7
491.26126	13.5
517.27521	8.9
557.89667	3.8
709.53925	4.1
748.56293	4.4
749.56879	6.0
767.46802	100.0
767.58972	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	768.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12930	7.5
56.47993	8.8
71.13972	9.1
73.38950	9.4
76.83435	9.5
84.04496	21.3
97.92318	10.1
109.07628	13.5
110.77294	10.4
113.89760	9.6
121.82310	10.4
135.54385	11.3
153.01843	37.0
153.06618	17.6
154.05008	17.3
155.08171	14.3
159.27193	10.6
160.11250	11.4
165.93179	10.8
181.06004	16.7
195.19876	13.8
208.04309	18.9
210.34657	10.9
286.04715	33.3
289.01666	30.1
310.04858	19.3
317.00974	63.4
319.02707	100.0
343.02744	42.0
441.69534	12.9
446.05414	40.4
463.07901	99.5
517.08966	22.6
560.15234	13.0
592.12280	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	7.6
71.07363	5.4
72.76410	1.5
86.09705	41.1
89.98762	1.9
104.10735	2.5
113.00719	1.7
125.00000	22.2
126.72293	2.3
136.70493	1.7
152.70479	1.8
155.45401	1.9
177.31549	1.9
184.07344	100.0
209.28560	1.9
213.98438	2.0
331.20935	2.0
394.60147	2.0
398.64175	2.1
541.70807	1.9
729.38281	1.9
768.55725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48017	1.9
54.48279	1.8
57.03430	4.1
57.07063	6.8
58.06590	39.1
59.07368	9.1
60.08157	21.4
62.69657	1.7
67.05480	2.7
71.07359	7.0
76.48741	2.2
81.07040	3.4
84.08140	2.7
86.09696	44.0
86.71569	2.4
90.70339	2.5
95.08651	2.3
99.28638	2.4
107.48768	2.3
109.33479	2.3
124.99998	22.8
137.06012	4.4
144.10194	11.8
154.90208	2.5
162.11197	3.1
184.07320	100.0
230.44765	2.5
236.14914	58.0
283.67880	2.4
333.06491	2.3
474.37744	8.0
498.77335	3.0
522.28650	2.7
732.57544	3.3
750.56274	14.4
768.55981	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	768.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82590	2.4
56.05012	2.3
56.32091	2.3
57.03427	5.6
57.07062	6.9
58.06592	58.4
59.07374	17.3
60.08153	15.1
67.05498	3.8
71.08628	2.9
74.18655	2.1
75.04469	6.2
77.85323	2.1
81.07043	6.0
84.08146	3.9
85.02917	4.4
86.09709	5.5
87.04446	2.5
91.71007	4.4
95.08603	3.3
102.05480	3.0
111.04443	2.9
124.99967	3.4
137.05995	11.2
144.10190	20.8
162.11249	5.9
184.07382	5.9
236.14894	100.0
236.17256	5.4
313.27386	3.5
368.03558	3.0
456.36758	7.5
474.37790	11.2
512.31622	4.3
685.89063	3.2
732.57507	6.2
750.56775	19.3
768.56158	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	768.5972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	10.1
58.06591	61.3
59.07378	15.2
60.08140	16.6
67.05473	7.7
70.83089	5.8
71.08616	11.1
74.75949	7.4
81.07033	9.1
86.09697	34.3
103.01767	6.9
105.14436	6.9
110.07834	7.7
114.81214	6.8
118.47646	7.1
125.00012	18.5
144.10176	24.0
151.31538	7.3
162.11185	9.3
184.07335	82.1
201.01706	8.4
227.99149	8.0
236.14925	100.0
257.01279	8.9
261.41663	9.9
315.19476	8.2
474.37985	12.8
529.45654	8.7
750.58514	54.8
795.84766	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	768.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.1
57.03428	4.5
57.07063	5.9
58.06310	3.0
58.06593	51.1
59.07376	14.4
60.08160	13.3
67.05496	4.9
68.78228	1.1
69.07069	1.9
71.08620	3.7
73.02917	1.6
75.04462	3.1
77.22311	1.2
79.05484	1.9
81.07038	4.1
83.08611	1.9
84.08147	1.3
85.02904	3.1
85.10166	1.4
85.68214	1.1
87.04470	2.9
93.06993	1.8
95.08607	2.3
103.59625	1.1
105.05503	1.4
105.07001	1.9
108.70591	1.6
113.05975	1.3
115.91264	1.2
116.88498	1.3
131.07095	1.3
139.51602	1.3
144.10201	17.5
162.11255	6.0
186.00911	1.3
221.25237	1.5
228.48482	1.5
233.36502	1.3
236.14912	100.0
237.15279	1.8
273.97458	1.4
396.49185	1.5
412.26944	1.9
430.27777	2.8
456.36801	5.6
474.37827	13.3
512.35571	3.4
608.47485	1.9
668.50775	16.5
732.57257	4.9
750.58734	22.7
751.59528	2.1
768.46942	2.4
768.59790	23.2
769.59491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.8
57.03413	4.3
60.93285	2.7
61.02914	10.8
67.05497	15.6
69.03419	11.1
73.02914	8.9
79.05482	8.2
81.07049	12.0
85.02895	12.8
91.03945	6.8
91.71014	7.8
93.07056	10.3
95.08591	7.2
97.02884	13.4
101.02443	3.6
105.07021	4.4
107.08584	5.6
109.10204	4.8
117.25894	3.2
121.10142	4.2
127.03941	4.7
143.59950	3.5
166.95300	3.4
230.90636	3.5
236.14815	3.7
491.26071	10.4
519.29590	6.0
769.48474	100.0
770.48737	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	769.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75845	9.7
61.02918	27.2
63.21826	8.6
65.77172	9.2
67.05508	24.8
69.03448	19.5
73.02906	17.7
77.94920	10.6
79.05483	25.2
80.49981	9.7
81.07053	15.4
85.02901	16.3
91.05469	9.7
91.71033	19.9
93.07029	17.6
95.08640	13.8
97.02871	26.0
101.02419	15.0
121.10134	16.7
123.38683	9.5
224.58809	10.3
238.61566	10.3
240.77629	11.7
270.95810	10.8
412.75153	13.9
491.26175	17.7
538.32562	11.4
689.57654	13.7
769.48590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71556	1.7
58.06602	4.6
60.08156	8.8
63.54359	1.6
65.92874	1.7
71.07363	3.6
80.49222	1.5
86.09694	39.0
98.98445	1.9
104.10744	4.2
115.74764	1.9
125.00000	22.2
126.87721	1.7
140.39748	2.1
161.71101	2.2
184.07330	100.0
236.14951	5.4
243.52969	2.2
275.35193	1.9
600.15686	2.4
686.50604	2.5
770.51550	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	770.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	3.1
60.08154	10.6
67.05489	2.3
71.07365	6.8
86.09702	46.8
92.03931	2.1
98.98486	2.7
104.10749	5.8
124.99994	21.8
145.01031	2.1
145.53210	2.4
184.01920	2.3
184.07335	100.0
213.23804	2.2
230.67966	2.1
236.15070	3.1
313.06046	2.3
418.58890	2.5
421.67706	3.0
725.21021	2.8
756.26184	3.0
770.53027	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	771.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51616	2.6
60.08164	13.2
60.86958	3.2
71.07393	4.7
74.30141	3.6
77.18190	3.2
86.09698	47.1
86.10134	3.9
87.10079	7.3
98.98491	3.5
124.99976	20.9
159.89742	3.0
184.07330	100.0
185.07765	11.6
201.09877	3.4
212.98830	4.2
265.82785	3.8
266.28400	4.4
687.50061	4.0
687.99811	4.2
771.44208	59.4
771.57581	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	771.501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
57.03420	3.0
58.74706	2.3
61.02916	7.8
66.79783	2.3
67.05495	17.7
69.03405	9.1
73.02896	5.2
79.05456	3.9
81.07033	14.8
85.02888	15.1
91.03938	6.6
91.34157	2.5
93.07034	5.2
95.04954	2.4
95.08595	8.2
97.02895	11.2
99.04456	2.9
100.53876	2.7
109.10136	3.9
134.66609	2.6
153.48538	2.9
187.27971	2.8
244.13899	3.1
304.09354	3.0
347.80765	3.1
493.27625	6.2
696.19781	3.4
771.50000	100.0
772.49030	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	772.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
58.06586	3.7
59.07368	0.8
60.08157	9.9
67.05489	1.0
67.50392	0.4
71.07365	4.8
79.05476	0.7
81.07040	0.7
86.09698	42.4
87.10036	0.5
93.07058	0.5
95.08611	0.6
98.98457	2.9
101.15164	0.4
104.10712	2.3
124.99993	22.3
144.10155	1.7
161.83060	0.5
162.11166	0.6
166.02620	1.0
168.87401	0.5
184.07329	100.0
185.07637	1.1
236.14885	5.9
447.98932	0.6
512.35376	0.5
549.90649	0.5
754.54132	2.9
772.57019	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	6.1
81.07553	5.9
86.09713	29.2
125.00035	14.8
127.22592	6.1
134.84663	7.7
150.99104	6.7
184.07317	45.5
316.41324	6.8
319.62357	8.5
685.48169	100.0
772.54755	63.9
795.44684	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	772.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	14.4
58.06602	8.8
58.90287	6.8
62.88658	9.2
72.08421	6.9
78.03654	7.4
79.05467	9.2
85.29456	7.6
86.09223	7.7
86.09698	33.2
91.42104	8.1
104.01725	8.6
110.62502	7.7
124.99982	19.0
153.25380	9.1
184.07326	100.0
229.86864	8.9
236.14973	19.2
243.65929	9.0
261.33838	11.7
264.28442	8.4
336.46951	8.3
353.33563	11.2
407.04019	10.3
483.19418	11.2
590.73785	10.0
685.50348	60.0
755.24359	13.3
772.58167	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	65.0
59.07370	18.7
59.09386	6.4
60.08147	25.6
60.89700	6.8
67.05490	15.5
72.34511	7.6
79.78316	6.8
81.07000	11.0
81.74867	7.0
86.09704	16.7
87.16372	7.6
91.05487	8.3
91.70966	14.9
95.08588	9.6
109.33370	8.9
109.71680	7.0
114.23598	7.4
144.10234	24.7
184.07368	36.9
236.14915	100.0
476.33929	10.6
494.35028	13.4
567.92639	10.2
692.38452	10.6
754.56158	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61995	3.6
55.05500	7.6
57.07075	42.9
60.08144	11.3
62.75648	4.0
62.78280	4.1
71.08621	38.2
73.06551	6.0
75.53957	4.1
83.08569	5.1
85.10170	22.6
86.09687	27.5
87.04455	13.9
89.06027	100.0
96.41869	4.7
97.10179	7.9
117.09114	5.7
125.00011	16.4
130.08655	26.9
131.06947	5.9
133.08589	62.3
168.00887	4.7
177.11234	20.7
184.07309	65.8
221.13799	5.8
341.34189	7.5
369.24536	5.1
375.61484	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	774.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91976	35.8
87.93239	41.9
109.06470	100.0
112.46888	37.2
125.06005	42.3
181.12206	68.5
286.82349	49.8
324.44336	46.8
335.50504	49.2
356.23166	48.9
443.23941	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	1.1
57.94682	0.7
58.06591	1.2
60.07903	1.0
60.08159	10.4
61.33154	0.6
62.88059	0.7
70.84402	0.8
71.07358	4.3
81.07047	0.8
86.09692	49.6
91.71680	1.9
98.98455	3.5
104.10725	2.6
116.12840	0.8
124.99986	20.8
166.02654	1.6
177.70769	0.8
184.07317	100.0
198.13406	0.8
230.11568	0.8
254.35651	0.8
361.28592	0.8
642.08752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.6
57.07063	3.1
58.06340	3.8
58.06596	41.0
59.07370	9.7
60.08158	20.0
64.17057	2.3
67.05494	5.5
71.08633	4.3
75.04478	2.6
79.05489	3.2
81.07055	5.5
85.02889	4.9
86.09698	35.6
87.04465	3.1
91.05465	4.3
91.71687	6.1
95.08591	4.1
98.98427	2.7
125.00002	16.9
128.09995	3.5
134.50092	3.0
144.10202	16.6
162.11244	5.6
184.07335	100.0
218.13998	4.2
236.14883	69.5
412.94315	3.3
456.36673	3.9
460.71997	3.4
474.37869	9.4
557.83203	3.3
756.57751	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	776.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
74.00649	11.3
76.02219	2.2
83.06094	6.0
84.04510	12.3
85.04012	16.2
85.41317	2.1
91.05483	5.5
91.71067	2.7
92.01694	5.4
93.07042	3.2
95.04976	2.2
99.05533	3.8
100.59815	2.0
107.04974	7.2
113.03493	4.9
114.33717	2.0
121.06493	20.2
123.04409	3.8
124.25776	2.3
129.06587	3.7
130.05008	11.8
131.04546	9.3
131.34065	2.2
137.06012	4.2
149.00571	8.9
153.05447	21.1
156.06598	3.3
160.00697	2.5
165.00136	3.0
167.01617	2.8
167.07013	3.0
169.06622	2.3
172.78348	2.3
173.09164	2.7
174.37514	2.2
177.03288	22.2
181.06274	3.3
183.08142	3.1
185.04065	11.2
195.02545	2.5
196.55096	2.5
197.06035	2.7
211.07579	4.7
213.03633	16.9
223.02209	4.5
226.06282	3.6
227.07051	5.4
229.03183	4.4
229.08586	5.5
231.04382	7.6
237.05560	4.6
240.07930	2.7
241.03157	100.0
241.08476	3.3
242.03923	16.6
243.04729	2.5
243.10225	3.9
243.66246	2.5
246.72891	2.8
255.04860	4.9
255.10085	3.5
257.02667	32.5
258.03430	3.6
267.04684	3.1
275.02286	2.2
315.10172	5.2
328.11038	3.7
331.09351	2.6
361.10611	4.5
377.10248	6.8
452.32364	2.8
467.14578	3.3
468.15707	47.2
469.16132	4.3
471.17935	6.2
501.13675	20.0
527.15283	4.2
544.18140	12.6
599.05615	2.8
647.20154	15.5
701.21185	5.2
776.25061	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	776.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.7
58.09438	9.1
59.31683	13.7
61.02924	10.9
67.05489	30.1
69.07051	11.0
70.50542	9.6
73.02900	14.2
79.05463	15.9
81.07050	36.8
85.02909	16.7
91.05445	20.2
93.07043	27.3
95.08572	23.3
97.02880	15.4
103.42504	10.3
123.04373	15.3
137.06027	16.1
149.05977	26.1
161.05933	18.7
164.07063	100.0
203.10515	15.5
244.28914	11.9
251.35175	10.7
262.24197	13.5
591.60242	13.7
614.40491	28.0
665.57269	13.5
701.89734	13.1
731.12830	14.9
734.16608	12.8
776.45630	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.8
57.03424	5.5
61.02922	12.1
63.24624	1.9
67.05495	32.2
69.03420	9.5
69.07058	5.5
73.02908	5.6
79.05482	21.4
81.03434	3.1
81.07053	31.7
82.00182	2.3
83.08624	6.4
83.11074	2.2
85.02896	13.6
91.03964	7.1
91.05473	16.8
91.71693	3.9
93.07040	29.0
93.07570	3.0
95.04951	4.3
95.08604	20.4
97.02898	13.3
97.06560	2.4
99.08092	2.7
100.29482	2.1
101.02385	4.2
103.05473	6.6
105.07027	11.9
106.81378	2.0
107.08606	9.9
109.02894	2.6
109.10168	10.1
115.05527	2.7
117.07034	7.4
119.08579	4.7
120.32417	2.0
121.06527	2.7
121.10160	9.2
123.04463	7.8
123.11686	2.1
127.04003	2.1
129.07010	3.6
131.04916	11.4
131.08578	6.2
133.06508	2.4
133.10120	4.7
135.11719	3.0
137.05986	23.8
137.09650	3.3
143.08650	2.3
145.06503	11.1
147.04398	18.1
147.11610	2.5
149.05975	42.3
151.07597	2.6
157.06546	6.4
159.08124	3.2
161.05948	14.7
163.07521	13.0
164.07092	12.6
165.05354	2.2
166.08682	8.5
173.06030	10.0
175.07530	15.6
177.09250	2.9
181.27742	2.4
187.07553	5.6
189.09184	8.7
199.07532	4.5
255.13708	3.7
273.14929	8.6
290.17508	11.2
307.22528	16.1
352.00314	2.6
382.22433	4.1
406.02884	2.6
469.27670	3.1
501.05643	3.2
503.75064	2.9
614.40662	31.2
615.40295	4.2
705.13007	2.7
776.45734	100.0
777.46515	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	776.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.7
58.06611	0.7
60.07910	0.7
60.08158	10.1
68.79480	0.5
71.07357	4.8
76.10364	0.5
82.59575	0.5
83.07787	0.5
86.09700	43.5
98.98468	2.9
104.10735	2.2
124.99998	24.1
125.23714	0.6
175.26567	0.6
184.07338	100.0
236.14949	0.6
249.95390	0.7
311.48032	0.6
358.35101	0.7
368.48315	0.7
385.67004	0.7
434.28436	0.9
527.04114	0.7
622.60120	0.7
632.81903	0.7
701.32275	0.9
776.52045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
60.08154	8.6
65.25739	0.5
71.07354	4.3
81.07964	0.5
86.09695	43.0
98.98479	3.6
104.10715	2.9
124.99991	25.1
137.75410	0.5
166.02675	0.9
184.07326	100.0
236.15178	0.6
241.09203	0.6
670.14282	0.6
776.51520	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72150	2.7
57.06807	2.7
57.07071	44.8
69.07058	3.2
71.08623	33.7
73.06547	8.2
79.05448	2.7
80.56923	2.6
83.08570	3.1
85.05185	2.3
85.10174	19.2
87.04453	15.1
89.06024	100.0
97.10164	4.3
99.11645	3.1
104.44364	2.2
110.67447	2.5
111.38909	2.5
114.09145	3.8
117.09135	12.0
118.29073	2.4
130.08632	35.7
133.08606	54.5
147.55304	2.8
156.79578	2.4
161.11858	3.2
169.19449	2.4
175.09798	3.3
177.11205	25.2
184.07364	4.4
221.13832	5.3
254.24854	3.0
257.24774	7.3
301.27426	5.6
304.95715	3.0
658.76318	3.3
776.58368	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	777.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.5
57.03406	5.3
63.57740	5.6
67.05502	36.1
69.07048	8.0
69.66892	6.3
75.21593	5.7
79.05482	37.2
81.07046	100.0
83.04932	7.8
83.08643	6.0
91.05457	19.9
93.07033	30.8
95.04958	18.7
95.08606	19.4
105.07029	12.3
107.08603	9.3
107.17406	5.6
109.06490	50.6
117.07031	12.2
119.08578	21.4
121.06461	12.2
121.10146	18.2
124.17330	5.8
125.09555	6.1
131.08589	8.7
135.08107	6.0
145.10170	12.7
147.08028	10.1
149.09656	8.9
258.10168	7.0
262.12918	6.2
273.18521	15.2
291.19379	44.6
307.22577	30.8
597.41266	25.2
746.68158	8.0
806.66968	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75734	2.0
64.36649	1.8
66.22701	1.9
93.96816	2.7
105.64267	2.4
110.12912	2.4
110.79496	2.3
120.08132	4.1
136.24855	2.5
184.02824	3.6
207.04382	4.6
265.12265	5.9
266.10611	3.3
283.13300	13.5
284.11636	3.6
291.10150	3.2
298.26895	2.9
306.14948	23.2
309.11145	8.3
332.12659	11.6
372.19745	5.4
376.48526	2.9
381.25281	11.9
407.23315	6.9
425.24307	11.7
473.27954	4.5
483.17630	2.9
491.29117	15.0
517.26740	7.6
540.53986	3.0
633.40027	13.6
717.45758	100.0
718.47565	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	778.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75299	29.2
65.33048	34.9
76.02211	71.6
77.81737	37.1
84.04509	41.1
85.48808	38.9
116.01665	54.5
131.04500	55.8
162.02216	54.0
199.07532	64.9
213.09091	65.3
221.03905	44.7
309.45502	46.4
354.01190	46.2
358.57803	45.3
379.81757	47.9
398.00021	53.4
470.11929	100.0
503.09482	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68909	9.6
61.09454	10.9
73.72724	12.0
82.43707	12.4
84.04523	18.6
85.80447	12.4
91.05460	20.8
93.07030	22.5
107.04957	22.9
115.84063	11.0
121.06480	100.0
130.05046	14.2
179.01576	18.1
194.03763	12.3
514.47107	14.9
529.16858	16.1
626.74609	15.1
649.21350	26.2
756.27649	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	778.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46986	4.4
66.46416	4.3
70.06582	10.2
71.91168	4.1
72.08153	7.7
77.66243	4.6
81.71421	5.3
87.18747	5.5
91.71080	12.2
91.71577	8.4
106.06583	5.7
108.08153	6.8
119.06090	6.9
120.08105	13.8
122.09684	8.6
128.52078	5.1
131.62778	5.2
134.08453	8.8
134.09656	6.8
147.09161	53.3
148.07588	11.1
159.09221	13.9
160.09972	6.7
161.10728	10.8
164.07076	17.9
166.08659	14.3
172.03944	16.1
175.12247	6.9
189.13890	10.7
190.14616	8.0
195.63673	5.5
203.15398	25.6
203.74306	5.4
204.06584	16.3
205.09868	5.5
217.81161	5.5
233.12849	20.5
234.13649	17.1
235.14465	21.6
247.14410	100.0
247.16927	5.5
251.11861	7.3
263.11841	12.9
275.33871	6.4
279.11337	23.9
291.11179	8.1
293.12802	12.5
309.12344	26.5
311.13885	11.3
337.11853	15.0
339.13596	8.6
369.14526	65.8
371.15952	11.7
406.17615	6.9
438.20132	11.1
494.19022	11.2
635.84906	7.0
728.32770	27.4
746.33875	27.5
760.35541	30.8
778.35272	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	778.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16129	4.2
74.44530	4.4
75.25051	4.8
81.07050	6.3
81.18184	5.1
88.61991	5.4
91.71092	5.8
93.89377	4.9
106.98177	5.0
108.13570	5.2
109.06504	9.6
112.05000	4.8
123.08035	46.0
141.22623	5.6
153.10612	6.8
161.24788	8.3
162.26717	5.6
179.14291	100.0
184.07393	6.3
265.17917	44.8
321.24191	15.9
322.25085	52.0
323.25806	23.4
331.46866	6.7
650.92462	6.4
682.54620	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	8.5
55.05506	47.2
57.03440	7.3
58.06578	9.7
67.05495	83.8
69.07050	20.9
70.84240	7.5
79.05489	62.0
81.07040	80.5
83.04954	9.5
83.08621	43.4
91.05467	64.0
92.09821	7.3
93.07036	97.8
95.04961	19.2
95.08607	57.8
99.18629	6.6
105.07022	38.7
107.04958	22.4
107.08578	47.4
109.10138	19.5
111.08100	9.0
112.21345	7.5
117.07012	23.9
119.08542	44.5
121.10143	34.1
129.07025	12.6
131.08588	44.4
133.10141	28.2
135.11693	24.6
137.13245	7.2
145.10123	33.1
147.11682	20.5
149.09616	31.4
159.11703	25.0
161.13245	9.1
162.05106	8.1
163.11255	17.5
164.30792	7.4
173.13206	15.9
175.09695	9.5
184.07365	14.9
201.16415	39.3
203.18057	9.8
215.31154	8.8
218.85493	7.5
229.15816	15.4
236.14978	14.7
243.19768	8.1
247.16978	13.9
275.20139	21.5
307.22678	71.5
321.20477	14.7
335.25894	34.7
349.23587	17.4
405.66733	9.8
443.18036	7.8
499.78632	9.2
581.41913	100.0
666.60889	10.2
681.23450	8.9
756.30823	10.2
778.54205	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	778.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07420	5.8
55.81916	6.6
57.03413	16.8
63.34092	6.4
67.05496	45.2
67.37830	7.0
69.07037	8.6
79.05475	26.8
81.07053	91.5
85.31036	7.4
86.09691	14.6
90.06006	6.5
91.05473	46.6
93.07046	26.9
95.04941	14.5
95.08595	29.0
97.24270	8.1
104.45492	6.4
105.07028	17.8
107.08591	23.1
109.06544	38.5
109.10099	10.0
117.06990	20.4
117.25262	8.7
119.08602	14.6
131.08591	30.5
135.08047	38.9
145.10136	11.2
149.09674	12.6
167.67662	8.2
173.13290	10.6
175.11264	13.2
184.07393	31.0
191.14284	88.1
244.40656	10.0
247.16879	10.6
270.77158	8.9
321.20663	11.1
335.25781	45.1
422.73486	9.4
581.41998	100.0
774.86530	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	778.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.3
56.05022	4.3
56.74705	1.3
57.06832	1.8
57.07069	20.8
57.74830	1.4
58.06573	1.9
59.48382	1.3
61.22100	1.4
65.03914	2.7
67.05498	24.6
69.07070	7.9
71.07359	20.6
71.08618	15.8
72.24538	1.4
79.05486	13.1
81.07046	21.3
83.08615	5.9
85.10174	7.9
86.09697	100.0
91.05466	10.6
93.07040	18.6
95.04949	1.8
95.08589	21.7
97.10170	4.6
102.78693	1.6
105.07034	5.7
107.08588	9.1
109.10146	7.6
110.17420	1.6
117.06990	3.6
119.08592	3.0
121.10144	6.9
123.11705	2.0
125.00053	3.0
131.08575	3.0
135.11688	2.1
137.03001	1.5
145.10156	2.3
146.98175	80.2
184.07358	3.8
188.00829	13.9
206.71751	1.9
231.14627	1.7
573.48944	8.4
595.46967	52.8
596.47064	2.0
719.46185	41.1
720.45599	2.1
743.98767	1.9
778.53674	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5379
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05016	0.6
57.95483	0.4
58.60059	0.4
59.08435	0.4
60.07867	0.5
60.08154	8.5
71.07368	4.1
72.72942	0.4
86.09698	42.6
87.10072	0.5
98.98445	2.8
104.10732	2.5
119.00260	0.5
124.99994	23.1
179.28413	0.5
184.07335	100.0
198.21461	0.5
294.21619	0.5
299.02713	0.5
319.55490	0.5
319.77524	0.6
472.94543	0.5
778.53754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.0
60.08153	9.9
60.29498	0.4
69.32858	0.5
71.07049	0.4
71.07363	5.1
86.09695	42.7
91.88378	0.4
98.98453	3.7
104.10745	2.2
124.99989	22.4
166.02618	1.1
176.63126	0.4
184.07324	100.0
185.07758	0.8
257.02524	0.5
258.37558	0.5
778.53406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	3.2
57.03418	7.6
57.07065	5.2
58.06314	3.1
58.06590	58.3
59.07373	14.1
60.08154	18.7
61.52049	2.1
62.14956	2.7
64.54688	2.9
67.05486	4.5
68.86793	2.5
71.08605	4.0
75.04478	3.9
76.88343	2.5
81.06989	3.1
83.30469	2.4
87.04450	5.0
90.50153	2.6
107.05040	3.0
115.82742	3.1
136.42944	2.5
144.10168	17.8
162.11267	6.6
184.07457	4.4
211.63713	3.1
214.84444	3.4
236.14908	100.0
237.34924	4.2
319.71692	3.1
405.21167	3.4
456.36786	6.4
474.37805	12.8
498.88412	3.2
536.00214	3.4
778.54535	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17731	35.8
65.84954	39.2
67.05505	46.9
70.75677	37.0
73.92529	35.7
74.08718	34.0
77.02168	39.2
79.05479	37.8
81.07066	52.2
86.09712	62.3
93.07047	80.8
95.08627	100.0
95.43805	47.1
118.01896	44.0
148.59229	51.5
184.07361	84.5
238.25986	43.1
307.22791	96.5
335.26331	51.7
349.02100	49.5
530.32422	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	27.0
58.74290	23.0
63.42045	27.5
67.05493	97.8
69.07035	53.4
73.47929	31.8
79.05465	66.7
81.07072	82.1
83.08628	53.1
91.71018	31.0
93.07035	79.0
95.04951	66.7
95.08598	80.9
107.08627	44.1
121.10165	56.2
133.10117	32.1
237.81218	38.7
307.22748	100.0
333.57220	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	13.9
81.21989	9.6
86.09722	15.6
92.27064	12.3
96.00857	12.8
106.06556	23.9
108.08141	19.0
118.06543	19.5
119.06075	11.5
120.08046	23.5
122.05984	16.7
133.07591	25.2
136.07571	29.1
144.04465	15.5
145.07631	24.9
146.06062	19.8
146.08406	16.3
147.09138	13.8
159.09230	32.5
163.08670	33.5
172.03922	77.0
174.05418	13.9
174.45573	11.5
176.07146	14.7
177.10159	14.9
189.10126	18.8
193.09784	28.9
204.06541	100.0
207.07616	85.9
207.11317	25.3
209.05518	15.3
221.09186	13.1
237.08545	17.3
238.09491	50.6
239.10298	33.8
243.11395	18.4
251.10410	30.7
262.81400	15.3
303.13467	18.7
306.12506	15.3
366.14395	23.8
410.13605	81.9
415.14972	28.2
442.16080	39.8
474.16470	43.8
492.17068	15.9
506.19565	15.9
615.24768	17.1
643.74713	15.7
712.26447	31.5
730.26910	74.6
762.29388	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	780.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94718	9.2
75.28042	7.9
91.71021	21.3
91.71610	23.4
109.26895	9.7
118.78878	9.6
119.06090	22.7
120.08084	18.3
121.36843	10.5
122.09688	11.9
132.08086	13.0
133.07634	18.0
134.08446	18.5
134.09630	16.7
136.07613	16.1
145.07574	29.5
146.06029	13.5
146.08414	14.5
147.09154	91.7
148.07582	19.8
148.09938	11.7
151.68039	12.5
152.07121	16.3
159.09175	67.9
160.09955	36.5
161.10742	43.1
164.07053	26.0
166.08635	31.9
172.03969	35.7
187.12288	19.7
190.05167	12.5
191.11726	12.0
204.06595	31.3
205.09605	71.8
205.13338	41.2
211.12222	16.5
235.10791	32.1
236.11485	19.0
237.12256	18.1
239.11925	20.5
249.12320	97.6
250.10898	11.8
251.11729	14.7
263.11844	26.9
279.11334	41.5
297.12268	17.9
306.14944	23.4
309.12326	56.3
311.13879	27.0
337.11749	34.8
339.13229	16.5
369.14474	100.0
371.16150	21.9
426.16861	17.7
440.17920	15.8
730.31079	54.7
748.31403	19.6
762.33258	70.0
777.54596	15.0
780.44916	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	780.524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05522	15.5
57.03436	17.8
58.06603	31.7
59.07370	7.5
67.05494	83.0
67.05779	7.1
69.07081	23.3
71.16021	6.8
73.63728	5.9
79.05517	25.8
81.07043	100.0
82.96572	6.6
83.08638	13.5
86.09724	10.2
91.05470	51.5
91.71719	11.7
93.07015	52.4
95.04984	11.8
95.08597	55.2
97.06506	7.9
105.07056	29.8
107.08631	29.6
109.10198	23.6
119.08603	30.4
121.10172	11.7
123.11784	8.6
124.19702	7.1
129.07037	8.7
129.82356	8.7
131.08606	14.3
132.10320	8.5
133.10196	26.5
135.11717	13.6
144.10139	10.7
145.10114	8.6
147.11734	27.2
153.60344	7.9
165.88881	9.0
171.07191	8.5
202.67206	8.9
218.00024	7.8
220.67206	7.7
236.14943	43.3
261.22333	9.0
307.22818	16.1
316.82822	9.6
323.22293	20.5
335.25778	39.3
420.21759	9.8
543.50366	8.6
583.43457	16.7
710.79419	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	780.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.4
57.03437	20.6
57.07076	14.1
58.06595	20.7
59.07383	7.8
60.08152	8.7
65.03944	4.8
67.05496	75.3
67.30036	4.9
69.07068	27.8
70.38957	5.9
71.05003	9.2
75.52678	5.4
77.75085	4.8
79.05481	62.7
79.05865	6.0
81.07050	97.4
81.07481	8.2
83.08630	11.5
84.90827	5.5
85.06570	5.7
86.09701	5.2
91.05470	100.0
91.05949	7.6
93.07036	87.7
93.07558	6.9
95.04960	13.2
95.08606	55.1
105.07026	87.9
107.08574	38.0
109.06523	6.1
109.10193	20.7
117.07070	20.2
118.06482	5.6
119.08573	72.2
121.10109	41.8
123.11737	7.5
128.06277	8.0
129.07040	20.9
131.08543	35.8
133.10118	96.1
135.11691	34.2
142.07898	5.4
143.08508	13.1
144.10249	10.2
145.10101	29.9
147.11649	49.4
149.09674	11.5
149.13333	11.4
155.08607	7.8
157.10211	20.1
159.11737	16.7
161.13301	12.2
163.07520	6.3
170.92159	6.1
171.11641	28.4
173.13330	6.2
184.07393	8.1
185.13383	10.5
187.14931	7.6
203.18007	16.1
213.16341	52.7
229.15601	6.2
231.17387	46.1
236.14886	45.1
264.95447	5.9
305.21304	25.3
307.22769	15.8
335.25790	40.4
418.03949	7.2
583.43347	33.2
780.56018	22.8
812.96820	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	780.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.6
55.21084	2.2
56.67004	1.8
57.03423	11.7
58.06594	12.5
59.07381	4.2
60.08166	12.3
61.02952	2.6
67.05493	37.6
67.05824	2.7
69.07073	10.2
71.07384	4.3
74.44315	2.1
77.44090	2.2
79.05482	22.7
81.03470	2.4
81.07043	35.8
81.07471	2.7
82.07424	2.4
83.04993	2.8
83.08640	6.7
85.02926	2.6
86.09703	47.6
86.10185	2.8
91.05476	24.7
91.71641	4.6
93.07041	31.9
95.05019	3.2
95.08601	29.7
95.09161	2.9
97.06566	2.7
98.98496	2.4
99.04458	2.3
99.08097	2.3
105.07023	19.2
107.08583	17.3
109.10146	10.6
117.07095	6.9
119.08572	13.1
121.10162	13.0
123.11763	3.3
125.00002	23.2
131.08615	10.4
133.10086	11.1
135.11754	6.9
144.10228	5.2
145.10136	5.5
146.98216	3.2
147.11723	8.2
159.11746	8.6
161.13261	3.4
171.11758	2.6
173.13248	4.8
175.14847	3.8
184.07339	100.0
191.64018	2.4
213.16354	4.8
231.17543	7.1
236.14928	24.6
255.01300	2.4
305.20859	2.5
307.19675	2.5
307.22620	12.0
317.68585	2.8
323.22348	7.1
333.24515	3.2
335.25885	16.6
351.25470	4.4
583.43286	11.1
679.48303	3.2
756.21576	3.1
762.55389	14.4
780.55713	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	780.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.0
56.99879	1.3
57.03436	8.6
57.07055	2.4
58.06586	8.3
59.07363	1.7
60.08159	9.9
61.02953	1.3
61.56065	1.6
67.05172	2.6
67.05496	32.8
69.07050	7.4
71.04981	1.9
71.07367	6.0
77.43201	1.4
79.05487	20.7
79.91152	1.8
80.78677	1.5
81.07047	27.0
83.04968	2.1
83.08614	7.8
85.02916	2.0
85.06519	1.9
86.09171	3.0
86.09698	50.5
91.05469	19.5
93.06480	3.0
93.07035	34.9
95.04974	3.4
95.08600	20.5
97.02905	2.2
97.06527	2.8
97.10192	2.2
98.98469	2.9
104.10730	1.6
105.07008	15.6
107.08599	14.2
109.10154	8.6
110.30552	1.5
111.30681	1.5
117.07034	5.1
119.08572	12.6
121.10146	14.2
123.11697	1.5
125.00004	19.0
126.35699	1.5
129.07076	2.5
131.08580	6.7
133.10133	9.1
135.11665	8.4
144.10255	2.2
145.10117	5.8
147.11691	6.3
149.13234	3.6
159.11670	4.4
159.97011	1.9
161.13156	3.4
162.11397	1.6
173.13284	2.8
184.07341	100.0
185.13318	2.5
205.10739	1.7
215.17963	3.6
226.86276	1.7
233.19156	2.2
236.14914	13.1
241.19377	3.2
259.20538	4.7
277.21667	3.4
285.54807	1.6
307.22629	31.0
333.24374	3.0
335.66925	1.7
351.25256	7.1
474.37674	2.5
555.08295	1.9
583.43585	6.6
721.45819	3.4
780.55609	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	780.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.0
57.03434	2.8
57.07055	1.1
58.06591	13.9
59.07367	3.8
60.08158	10.3
61.02922	1.1
67.05494	11.7
69.07048	2.7
69.13435	1.0
71.07361	4.5
71.08627	1.0
78.62257	1.0
79.05475	9.0
81.07050	11.6
83.08606	2.5
85.02862	0.9
86.09172	2.2
86.09701	37.7
91.05485	10.0
91.71634	1.4
93.07047	13.2
95.04961	2.5
95.08617	7.9
98.98460	3.1
104.10767	2.6
105.07034	11.0
107.08603	6.3
109.10174	3.6
117.07014	4.4
119.08587	7.5
121.10120	6.5
123.11780	1.7
124.99995	20.1
129.07063	1.7
131.08565	3.4
133.10136	5.7
135.11690	3.8
143.08618	1.5
144.10193	3.8
145.10103	5.0
147.11711	4.2
157.10164	1.1
159.11676	1.4
161.13254	3.5
162.11237	1.4
171.11658	2.2
173.13301	1.6
175.14793	1.4
184.07341	100.0
231.17496	1.8
236.14897	23.4
259.20560	5.2
307.22678	9.6
333.24344	3.5
334.85992	1.1
335.25742	1.6
433.89407	1.3
456.36841	1.6
474.37793	4.6
583.43695	3.3
644.59424	1.3
744.54034	2.1
762.54657	2.9
780.55804	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.7
57.03421	5.9
57.07062	3.6
57.85158	1.6
58.06591	10.7
60.08149	12.5
67.05496	31.7
69.03410	1.4
69.07051	5.9
70.52187	1.5
71.04981	1.6
71.07353	4.6
71.36623	1.5
77.94258	1.5
79.05484	28.0
81.07047	25.6
83.08595	4.9
84.77072	1.7
85.06489	1.7
86.09700	39.4
86.62035	1.7
91.05464	25.2
93.07027	31.9
95.04956	3.9
95.08593	22.1
97.06570	1.7
98.98461	3.1
105.07027	23.1
107.08581	12.4
109.10175	4.6
112.88761	1.6
117.07035	6.6
119.08574	16.9
121.10114	11.8
123.11662	3.4
124.99990	20.7
129.07040	5.3
131.08560	12.0
133.10109	14.9
135.11696	4.8
143.08607	3.6
144.10187	2.5
145.10051	9.5
147.11673	11.0
149.13263	4.4
157.10126	4.4
159.11737	6.0
161.13261	7.5
171.11655	2.9
173.13266	3.8
175.14876	3.7
184.07324	100.0
185.13242	2.1
185.96147	1.7
231.17462	3.2
236.14880	15.2
241.19524	4.6
259.20514	9.4
300.78250	1.8
307.22586	16.6
333.24295	8.0
335.25504	2.8
397.29770	2.1
565.42841	2.5
583.43732	8.8
691.78827	2.8
780.55634	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	780.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.2
57.03426	2.7
57.07056	1.0
58.06587	3.1
60.08157	7.7
62.43972	0.7
62.65958	0.8
65.03939	0.8
67.05492	13.5
68.78773	0.7
69.07063	3.8
71.04968	0.8
71.07359	3.6
79.05485	8.7
80.70787	0.8
81.07048	12.5
83.04974	1.4
83.08593	2.1
85.06488	1.0
86.09698	35.6
87.10003	1.0
91.05469	12.6
91.71580	1.4
93.07027	10.2
95.04956	1.8
95.08597	10.2
98.68603	0.7
98.98442	3.3
104.10733	2.5
105.04481	1.1
105.07024	12.4
107.08593	5.2
109.06534	0.9
109.10150	2.9
117.06994	2.6
119.08574	11.2
121.10129	6.7
123.11680	1.5
125.00002	20.2
128.06255	1.0
129.07010	3.9
131.08556	5.6
133.10129	12.2
135.11673	3.5
143.08562	2.4
145.10095	5.3
146.09462	1.1
147.11674	8.9
149.09676	0.9
149.13303	1.1
156.97069	0.8
157.10115	3.3
159.11667	3.1
161.13225	1.8
166.02654	1.8
169.10121	1.3
170.18033	0.8
171.11656	4.8
171.73738	1.0
173.13275	1.3
175.11163	1.2
184.07327	100.0
185.07661	1.3
185.13281	1.5
187.14908	1.7
189.16328	1.1
189.41258	0.8
203.17947	1.7
209.99135	0.8
211.20259	0.8
213.16385	5.7
229.15836	0.8
229.81041	0.9
231.15227	1.5
231.17387	10.2
233.19141	1.5
236.14970	3.0
243.17781	1.0
248.63907	1.0
305.21054	2.9
335.25751	7.3
407.94373	0.9
531.36652	0.8
583.43427	4.4
633.93799	1.1
780.55389	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	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69368	0.4
60.07912	0.5
60.08153	7.5
60.08631	0.7
63.74737	0.4
71.07359	3.8
74.82584	0.5
86.09696	37.7
93.07017	0.6
98.98440	3.4
104.10744	2.9
109.13195	0.5
124.99992	22.5
125.15593	0.5
146.98225	0.6
165.64636	0.5
184.07324	100.0
185.07645	0.9
241.22774	0.5
247.40906	0.6
256.61075	0.5
622.13245	0.6
628.53992	0.6
780.54718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.9
57.03437	4.8
57.07064	4.0
58.06594	62.9
59.07377	15.8
60.08157	14.1
67.05493	19.3
71.08630	4.2
75.04485	3.6
79.05491	10.4
81.07053	14.7
83.08615	4.6
84.08143	3.6
85.02921	2.4
86.09678	2.0
87.04459	4.0
91.05485	13.5
93.07048	14.3
95.04947	3.9
95.08604	11.7
97.10147	2.7
102.05542	2.1
105.07019	8.9
106.63086	1.7
107.08562	5.9
108.32311	1.9
109.10149	7.0
117.07059	2.0
119.08570	8.7
121.10139	7.8
130.08736	2.1
131.08563	4.6
133.10117	7.0
135.11671	4.1
141.60585	1.9
143.08618	2.8
144.10193	20.9
145.10132	4.3
147.11707	5.0
155.46114	2.2
157.90677	2.2
159.11691	4.4
162.11281	6.9
173.13231	2.1
231.17601	2.2
236.14903	100.0
256.07016	2.1
259.20474	4.9
307.22662	8.0
309.41528	2.2
333.24249	3.5
456.36795	7.2
474.37735	10.7
583.42822	4.4
722.51733	5.0
756.16931	3.1
762.54706	10.3
780.56110	55.0
781.54541	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	780.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
57.03422	5.9
58.06594	71.2
59.07373	17.5
60.08159	20.5
67.05490	9.8
68.51950	1.8
69.00353	1.8
72.36906	2.0
79.05489	5.1
81.07046	4.1
84.08145	2.2
85.02879	3.7
86.09708	14.8
87.04440	5.0
87.10021	2.9
91.05462	10.8
92.62251	2.1
93.07027	6.0
95.08595	4.4
102.05506	4.5
103.00729	2.2
104.10756	2.8
105.07014	2.8
107.08579	3.3
113.06025	2.9
124.99978	11.1
131.08585	2.5
144.10187	17.5
162.11322	6.1
184.07329	33.4
185.07681	3.9
236.14922	100.0
280.21741	2.2
342.07892	3.1
478.35062	3.3
496.35980	5.7
502.35318	4.4
520.36218	10.0
780.57733	66.3
781.58179	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	781.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.2
55.62957	5.0
57.03423	19.8
57.07044	11.0
58.06596	62.2
59.07364	20.0
60.08138	15.1
60.89142	4.9
61.56029	5.2
65.15493	5.1
67.05237	5.1
67.05505	54.0
68.05803	7.8
69.07037	7.6
73.75911	5.5
79.05082	5.9
79.05457	32.2
81.07041	40.8
85.02886	8.1
86.75917	5.9
91.05476	38.3
92.05799	10.4
93.07038	51.0
94.07385	9.7
95.08616	31.9
105.07029	34.4
107.08595	19.5
109.10195	13.8
117.07018	13.9
119.08583	20.1
121.10162	21.0
131.08575	11.6
133.10144	19.2
135.11739	14.5
135.76451	7.6
144.10181	13.5
145.10234	10.4
147.11700	14.2
171.11620	11.0
184.07193	8.9
197.14104	6.4
236.14938	74.9
237.15204	18.8
238.78375	7.5
307.22574	13.3
308.22949	8.0
474.38333	8.9
526.45435	8.3
545.10187	9.2
763.54974	20.6
781.50342	100.0
800.38220	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	782.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	7.9
72.04497	10.4
73.45081	6.0
86.37032	6.2
92.18896	8.4
106.06527	36.4
108.08090	16.1
120.08128	9.8
122.06040	13.0
132.06808	8.7
133.07617	12.2
136.07568	41.2
137.90462	6.6
145.07602	15.5
146.06024	11.2
146.08366	10.3
147.09178	12.3
148.07634	12.0
150.09210	9.6
150.60126	7.3
152.07076	11.0
157.14258	7.0
159.09160	23.6
162.05531	7.1
163.08662	17.7
164.07089	16.6
166.08687	22.8
171.81976	6.4
172.03894	42.9
175.08707	16.2
176.09378	8.1
177.10226	20.6
179.79912	7.3
189.10239	26.7
193.09703	12.6
203.08234	8.3
204.06552	39.5
207.07671	50.2
207.11269	47.3
209.05710	8.7
221.09314	19.4
237.08650	15.3
238.09483	20.9
239.10135	14.2
249.10155	8.5
251.10126	100.0
263.11844	26.7
265.13531	8.2
267.11438	9.3
279.11258	22.5
293.13028	14.9
297.12366	27.0
309.12326	30.6
311.13907	11.2
314.06079	7.9
321.12677	8.5
337.11819	32.5
339.13519	16.7
369.14456	53.8
410.13718	14.1
442.16339	16.6
472.03949	7.8
529.32263	9.4
607.23804	14.9
673.27405	9.0
732.28717	67.5
750.28595	14.3
764.30627	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88338	0.5
56.05014	0.5
58.06596	1.2
60.08156	10.4
61.65337	0.4
62.56435	0.4
71.07369	3.8
71.45508	0.5
73.22149	0.4
80.30505	0.5
85.53574	0.4
86.09698	39.0
91.71014	1.1
95.08591	0.5
98.98458	3.2
102.43910	0.5
104.10736	10.2
124.99993	23.0
142.02597	0.5
151.69469	0.5
158.98225	0.5
166.02629	1.3
184.07332	100.0
185.07764	0.9
236.14963	0.9
313.06680	0.5
694.77820	0.7
710.20459	0.5
782.57556	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	782.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.8
57.03412	0.6
58.06581	2.8
59.07366	0.5
60.07867	0.6
60.08157	9.8
67.05476	0.9
71.07375	4.0
72.65470	0.5
78.34513	0.6
81.07046	0.8
83.08572	0.9
83.51257	0.6
86.09698	42.8
87.10007	1.8
89.51855	0.5
91.70953	0.9
95.08617	0.8
98.98454	2.8
104.10733	6.9
105.70934	0.6
120.30883	0.6
125.00002	24.0
144.10187	1.0
166.02692	0.9
178.31908	0.6
184.07333	100.0
185.07684	2.9
186.07727	0.8
236.14870	3.2
285.77628	0.6
308.56882	0.6
658.59021	0.7
782.57599	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	782.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	18.1
59.07357	5.5
60.08149	13.6
60.55120	2.3
68.80264	2.8
71.07362	3.6
74.50131	3.0
86.09698	39.0
104.10741	59.7
124.99986	23.3
137.05931	4.5
137.95795	3.1
144.10217	8.1
184.07330	100.0
184.08932	5.6
190.18835	3.3
203.29976	3.8
236.14960	32.3
474.38065	6.2
750.55011	6.3
782.57880	14.3
783.43579	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	782.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
56.05014	2.8
57.02588	1.9
57.03428	6.3
57.07060	6.1
58.06308	3.1
58.06594	58.9
59.07372	13.5
60.08154	17.4
67.05489	7.0
71.08631	4.6
75.04472	5.0
81.07050	4.8
85.02887	3.6
85.10202	2.5
86.09702	16.4
87.10046	4.6
91.05481	3.5
93.07030	4.3
95.08618	3.8
104.10742	5.5
105.07087	2.3
124.67107	2.2
124.99991	9.2
144.10194	21.3
162.11304	8.0
184.07314	40.9
185.07735	10.6
236.14906	100.0
239.61479	2.7
285.62500	2.7
312.95584	2.7
323.92194	2.7
456.36960	6.0
474.37863	13.5
706.52118	10.9
728.54858	14.8
746.55731	24.1
764.56458	26.0
782.56396	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.5
56.05009	3.3
57.03417	6.1
57.07069	4.1
58.06311	3.7
58.06593	66.7
59.00636	2.6
59.07375	17.2
59.65362	3.0
60.08144	14.4
60.20156	3.3
67.05481	8.3
71.08612	4.0
75.28358	2.8
79.05479	2.9
81.07040	4.8
85.02897	5.6
86.09691	3.5
87.04433	5.4
91.05463	4.8
93.07033	5.9
93.72375	3.1
95.08575	6.2
97.41586	2.9
103.50201	2.9
104.10738	17.6
107.08567	3.1
119.08548	4.0
132.56674	3.2
144.10260	15.2
162.11223	8.1
202.01422	3.8
236.14903	100.0
237.15323	5.0
312.63501	3.4
456.37082	9.2
474.38153	15.0
504.80399	4.1
707.31146	4.3
746.55933	15.3
764.56824	24.3
782.58246	41.2
783.45746	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	782.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
57.03442	7.1
57.06833	1.6
57.07084	6.5
58.06594	58.9
59.07373	15.0
60.08151	14.0
67.05511	4.6
69.07086	3.1
71.08638	2.5
75.04487	4.3
79.05502	2.3
80.31708	1.7
81.07065	4.0
83.08627	3.0
84.08165	4.8
84.49347	1.8
85.02934	3.2
86.09703	2.8
87.04475	4.4
91.05492	5.4
91.36624	1.7
93.07047	3.3
95.08610	3.7
102.05557	2.0
104.10772	7.3
105.07070	2.5
106.26339	1.9
113.06073	2.3
126.08598	2.1
131.07120	2.2
144.10175	22.9
162.11359	6.3
187.12827	2.1
204.10445	2.1
236.14906	100.0
246.29672	1.8
304.67468	2.1
382.22287	2.3
456.36887	5.8
474.37860	13.3
551.32111	2.7
573.00421	2.3
706.52435	5.6
728.54022	13.5
746.55658	22.8
764.56561	26.0
782.56653	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	783.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	7.1
60.08133	5.3
65.43966	4.6
67.05474	4.5
69.07103	4.3
75.53085	4.7
76.06460	5.1
79.05472	4.4
85.70206	4.5
86.09702	16.4
90.05605	4.5
91.05482	8.0
93.07048	7.2
100.67265	5.7
103.79109	5.5
104.10729	97.5
105.06974	6.9
116.70171	4.5
122.10445	4.9
125.00005	7.6
133.39774	5.0
137.17300	5.0
182.18034	6.4
184.07341	31.6
207.72382	5.9
220.33926	5.7
246.92015	5.3
783.44348	100.0
783.57379	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	783.4439
Annotation	56396-12-4
Peak:m/z	Relative Intensity
60.08136	16.0
71.07399	6.7
77.55994	7.0
86.09701	27.8
91.54314	7.3
91.70992	15.5
93.07042	10.1
98.69807	6.8
101.35718	8.3
104.10741	42.7
112.07630	6.9
116.85160	7.6
124.99970	16.0
159.55479	7.6
184.07338	89.6
290.60587	9.5
579.71283	9.0
783.44409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78831	2.2
57.03448	3.8
57.07047	2.0
58.06589	18.1
58.35001	2.2
59.07367	6.2
60.08149	5.2
60.49450	2.0
61.02922	7.4
61.59109	1.9
65.74606	2.0
67.05496	8.7
69.03432	5.3
69.07062	3.2
69.60831	2.1
69.80922	2.1
71.05006	2.5
71.08639	2.8
72.98258	2.2
73.02914	5.8
78.02478	1.9
79.05498	8.6
79.65816	2.4
79.77489	2.9
81.03372	3.0
81.07063	8.0
85.02909	11.3
91.03953	6.0
91.05502	5.9
93.07053	11.1
95.04978	4.2
95.08628	7.8
97.02895	9.2
101.02385	4.1
104.10749	8.3
105.07044	4.3
107.08599	4.6
109.10195	3.1
119.08585	3.7
121.10165	6.0
131.08644	3.1
133.10170	3.3
144.10248	8.2
184.07515	2.7
236.14941	30.1
236.16922	3.1
237.15303	4.0
294.97818	3.1
315.19366	2.9
487.31195	3.1
491.26318	8.7
550.83942	2.8
657.25055	3.7
765.57098	4.3
783.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
56.05004	1.0
56.92298	1.1
57.03435	3.3
58.06600	3.2
58.90205	1.1
59.07376	1.6
60.08158	10.3
61.02925	4.8
67.05505	6.4
69.03441	3.7
69.07076	1.9
71.07377	5.6
73.02911	2.7
79.05497	6.0
81.07045	7.0
85.02911	6.3
86.09700	41.4
86.10197	2.6
87.10032	1.4
87.91174	1.5
91.03979	4.3
91.05503	3.3
93.07057	6.8
95.08625	2.5
97.02914	4.4
98.98462	2.7
104.10727	7.8
105.07108	1.7
107.08631	3.0
117.07034	1.8
119.08585	2.0
121.10175	2.3
125.00002	20.4
131.08617	2.1
144.10309	2.2
145.10153	1.5
145.79216	1.5
158.03471	1.6
159.47844	1.4
164.55890	1.6
184.07327	100.0
185.07677	10.3
202.33234	1.5
217.00684	1.9
236.14903	7.4
243.08473	2.2
252.31642	2.0
315.19315	3.1
353.42535	1.6
360.43549	1.6
491.26303	4.3
505.23932	2.4
519.29510	1.9
605.42499	1.9
782.56543	3.6
783.46301	58.8
783.56976	3.1
784.46570	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	783.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	3.2
55.05500	2.4
56.03458	1.8
57.03415	8.2
57.07049	3.8
58.06587	17.3
59.07384	4.1
60.08146	6.9
61.02916	4.0
67.05492	8.1
69.03412	5.4
69.07035	1.9
71.20615	2.2
73.02905	8.1
79.05491	4.5
79.50014	1.8
81.03397	2.4
81.07056	13.0
85.02889	8.7
86.09710	6.4
86.63233	2.1
91.03914	4.1
91.05473	6.4
93.07044	9.8
95.08598	8.3
97.02876	5.9
97.06551	2.3
101.02342	3.8
104.10754	6.8
105.06965	2.8
107.08597	5.2
109.10163	2.8
109.97604	2.1
117.07015	1.9
121.10110	3.7
125.00058	2.0
131.08591	4.7
132.95119	2.1
133.10121	2.3
135.08096	5.1
144.10220	6.9
145.10133	2.2
184.07298	11.7
236.14938	25.1
237.15286	4.0
287.16177	4.1
297.13821	2.7
306.00064	2.5
369.82928	2.4
474.38004	3.4
505.24118	8.5
519.29712	5.5
685.41785	3.3
747.56390	3.6
782.57324	3.8
783.46332	100.0
784.46729	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	24.9
60.08161	20.4
61.02922	7.9
67.05521	7.6
67.59818	7.2
77.54694	7.3
79.05518	9.3
81.03445	8.0
81.07056	15.4
85.02924	11.1
86.09713	21.1
91.03930	8.1
93.07050	10.2
97.02895	10.5
104.10801	12.4
109.67426	7.1
125.61794	9.5
144.10164	9.2
149.09097	8.4
170.92632	7.9
184.07298	36.9
236.14969	52.4
264.16586	9.4
306.35657	8.2
353.75748	8.8
404.20300	8.1
559.50928	10.6
689.11377	12.0
765.56848	13.8
783.46368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96342	8.4
56.96590	39.5
61.33361	7.5
91.71785	16.5
98.18954	9.4
100.05225	9.0
157.02945	30.6
175.04028	14.5
181.02919	15.7
204.04631	13.4
219.02991	10.1
222.05640	31.1
223.26984	10.8
224.03603	23.5
234.05446	20.8
242.04684	13.6
265.06320	16.4
275.08371	12.1
278.04507	13.3
283.10953	11.1
291.07773	10.1
306.88376	12.3
309.09155	12.5
312.05078	100.0
330.06235	23.7
346.04074	18.7
353.07806	61.8
384.71832	12.2
387.06656	24.1
505.18085	14.2
728.46631	12.8
754.21417	14.2
767.57953	13.6
784.18304	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	784.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	9.8
67.72587	3.7
71.07367	4.9
72.56827	4.3
73.82461	3.7
77.90548	4.1
86.09692	52.7
86.10108	4.5
98.98484	5.2
113.15518	3.9
115.81941	4.2
124.99980	24.9
133.21370	4.0
184.07332	100.0
184.08910	5.1
281.00183	4.5
361.14835	4.9
568.64600	5.3
690.72198	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	784.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.0
55.05518	12.2
55.68171	2.7
58.06589	2.9
60.08171	4.9
63.23257	2.9
65.03938	3.8
66.26443	3.3
67.05492	76.8
67.05833	4.7
69.07060	8.7
78.71592	3.1
79.05487	56.3
80.45203	3.4
81.07041	41.3
83.08632	6.1
86.09692	3.2
91.05473	100.0
91.06033	5.0
91.71051	9.1
93.07039	41.0
95.04967	19.1
95.08604	39.7
96.18091	3.5
97.06535	7.6
103.05517	4.4
104.10735	26.2
105.07021	47.1
105.07571	3.7
105.11110	5.0
107.08633	13.2
108.56272	3.1
109.10177	10.9
114.90710	4.1
115.05496	8.2
116.19659	3.5
117.06991	40.9
118.06583	4.7
119.08560	34.1
121.10185	8.4
127.86887	3.6
129.05511	8.0
129.06979	17.3
131.08546	42.3
131.09326	4.2
133.10162	12.7
134.79204	3.4
135.11766	5.9
142.18672	4.0
143.08586	7.4
145.10101	17.8
147.11754	7.4
155.08557	4.6
157.10172	7.0
159.11713	10.9
169.18280	4.5
171.11755	5.9
173.13330	9.6
184.07387	12.7
185.13315	6.4
201.16351	9.7
328.26367	5.6
328.58224	4.8
359.25879	38.0
643.47180	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	7.4
57.07053	6.3
58.06345	4.4
58.06594	53.3
59.07371	14.3
60.08149	16.1
62.83706	2.6
64.72370	3.0
67.05474	6.7
69.07057	3.2
69.35513	2.8
71.08613	5.2
75.04467	3.8
81.07047	6.8
84.08132	5.5
85.02885	5.8
86.09708	5.1
125.00011	4.1
144.10213	21.3
184.07344	13.3
210.70815	3.5
236.14897	100.0
237.15219	4.9
253.23737	5.0
265.47244	3.9
308.78583	3.8
321.53299	4.5
456.36774	8.8
474.37808	11.6
622.07214	4.2
668.50751	5.0
708.53741	7.9
730.55743	7.1
748.57153	25.3
766.58057	20.6
780.43939	4.3
784.46234	19.0
784.59320	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	785.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68502	9.2
63.60965	8.3
65.87895	9.2
77.59648	10.3
77.86801	9.2
81.14212	8.7
81.80357	9.6
98.34592	10.7
176.91718	11.0
182.24191	11.1
185.71355	11.4
307.94489	12.4
426.81287	15.2
785.45825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
58.06596	12.6
60.08146	6.9
61.02927	8.9
63.87599	4.1
67.05490	12.9
70.66310	4.1
71.86884	4.0
73.02885	5.3
74.70244	4.3
80.46310	4.9
80.68494	5.0
81.07037	9.8
85.02903	11.4
86.09684	9.5
91.05508	6.5
91.71645	9.6
93.07036	9.6
97.02903	9.8
109.02872	4.5
109.10117	6.2
144.10173	5.1
179.85049	5.8
184.07359	21.5
236.14969	19.3
244.46461	6.4
372.96997	5.8
464.76740	6.0
491.25983	11.7
691.04724	7.0
785.47845	100.0
785.61279	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	785.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
55.05526	3.8
57.03432	7.8
57.95421	4.3
58.06601	9.5
59.07395	4.1
60.08172	5.6
61.02926	7.9
62.70724	4.3
67.05518	15.6
69.03427	5.3
73.02917	6.0
79.05512	10.4
80.32186	4.2
81.03393	4.4
81.07053	12.9
85.02913	9.3
86.09718	11.1
91.05508	6.9
93.07054	12.6
97.02902	9.6
101.02403	6.5
107.08662	5.3
112.58127	4.5
184.07402	14.9
185.07771	5.7
196.07639	4.8
214.95213	4.9
223.77689	5.3
236.14940	21.5
262.61951	6.6
300.65988	6.6
302.12231	5.1
370.53427	5.6
491.26248	14.7
785.47919	100.0
785.60925	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	785.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.9
58.06589	4.5
60.69220	2.5
61.02913	7.2
67.05491	8.2
67.91521	2.4
69.03394	5.8
72.50721	2.4
73.02908	8.8
74.07654	2.7
78.02605	2.5
79.05492	7.9
81.03413	4.1
81.07050	8.6
85.02904	10.5
85.82402	2.4
91.03933	2.9
91.05491	8.4
93.07039	10.9
95.08613	7.2
97.02892	4.5
105.07004	5.2
107.08575	5.1
109.10145	3.7
111.05820	3.0
113.87593	2.7
115.63630	2.7
119.08564	6.3
121.10187	4.4
127.03941	2.9
129.04379	2.5
131.08548	3.1
135.11658	3.1
149.07417	3.1
154.45888	2.6
156.04204	2.7
156.85327	2.7
236.15067	6.2
243.08522	4.2
247.73962	3.5
258.52151	3.1
399.77481	3.0
507.25735	9.6
686.05719	3.8
785.47955	100.0
786.48248	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	785.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.03425	4.5
61.02637	1.9
61.02914	9.2
63.92020	1.8
63.92384	1.8
64.17773	1.8
67.05492	8.5
67.83813	1.7
69.03424	8.2
69.07060	2.9
73.02911	6.2
79.05498	6.7
81.07052	12.8
83.08640	1.9
85.02904	12.6
91.03964	5.2
91.05487	8.4
93.07057	9.7
95.08615	5.8
97.02896	7.9
99.04451	2.3
101.02367	2.3
107.08620	4.2
109.10190	2.4
114.22849	2.1
114.41699	2.0
121.10143	2.2
128.55739	2.0
141.73245	2.2
149.88240	2.6
166.50146	2.3
184.07379	3.7
243.08368	3.5
243.72630	2.5
462.45990	2.3
491.26233	12.1
535.28912	2.9
618.04230	3.0
685.17572	3.9
785.48065	100.0
786.47729	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	785.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
61.02916	11.7
67.05482	11.8
68.80089	2.1
69.03420	6.6
69.07075	3.2
72.43021	2.2
72.55718	2.1
73.02914	6.8
74.69955	2.4
79.05491	8.0
81.07056	7.5
85.02910	13.0
85.80154	2.4
91.03971	7.6
91.05480	6.4
93.07042	10.9
95.08607	4.8
97.02886	13.7
97.10945	2.1
99.29586	2.2
105.07054	3.8
107.08602	4.3
121.10145	6.0
127.03896	2.7
146.21333	2.5
147.11745	4.1
243.08400	3.8
297.07019	2.7
333.12900	2.7
393.25226	2.6
491.26477	10.9
535.28998	4.7
538.76105	3.5
785.48053	100.0
786.48541	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	785.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.03421	2.2
57.07076	1.9
58.00420	1.3
58.06596	6.6
59.07367	2.8
59.42958	1.3
60.08153	1.7
61.02916	6.5
67.05499	8.6
69.03416	7.5
69.07055	2.5
71.01355	1.8
73.02904	4.7
79.05493	6.5
81.03435	2.1
81.07062	6.5
85.02908	10.4
91.03947	5.8
91.05479	6.5
91.71021	3.5
93.07052	9.0
95.08617	6.1
96.08983	1.5
97.02881	5.3
101.02373	3.5
105.07043	5.6
107.08640	4.9
109.02884	1.5
109.10196	2.0
115.33109	1.6
119.08608	3.6
120.24757	1.9
121.10169	4.0
127.03910	3.0
133.10150	1.7
145.10146	2.6
147.11684	2.3
161.52701	1.8
170.66176	1.7
191.11026	1.9
219.05104	1.9
231.80437	1.9
235.75946	2.2
236.14902	11.1
243.08475	3.4
425.29111	1.9
454.46689	2.0
507.25537	7.8
519.29529	5.1
591.30853	2.6
784.59076	3.4
785.47961	100.0
786.48254	5.1
803.47937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	78.9
62.82201	14.3
75.30138	12.8
85.58986	13.6
89.06023	85.1
99.57687	18.0
130.08710	30.0
131.79738	16.6
133.08627	85.0
143.99483	16.0
155.02649	25.5
177.11288	38.2
248.91974	16.2
267.15076	100.0
311.17847	49.0
355.20099	30.0
412.37756	19.7
438.64191	19.4
492.95712	19.0
653.63226	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	786.6084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	5.2
58.06593	44.6
59.07366	10.5
60.08149	17.1
60.49465	3.6
67.05492	11.0
70.25155	4.4
71.08641	3.9
74.46748	3.6
75.04489	5.0
81.07057	6.6
85.02876	4.0
87.04453	5.7
87.33689	4.1
91.05462	6.3
101.42519	4.4
102.90782	4.6
121.10234	4.0
128.89244	3.9
144.10185	21.7
184.07443	10.8
197.68333	4.9
206.74371	4.7
236.14906	100.0
293.15564	5.0
311.38586	5.5
350.08078	5.8
456.37149	6.5
474.37653	14.7
583.09784	6.6
628.47614	15.1
668.51172	7.4
732.56567	5.7
750.58356	20.1
756.31763	6.6
768.59406	16.2
786.47803	12.0
786.60687	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	787.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82376	3.3
64.09805	3.6
73.16035	3.2
84.16354	3.7
91.71592	6.2
98.35877	4.0
104.91183	3.3
131.16096	4.9
139.60587	4.4
149.54970	4.2
150.36127	4.5
151.71713	3.9
194.45645	4.0
248.83543	4.6
380.69089	4.8
384.25952	4.6
787.47479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05503	17.9
57.03418	16.2
57.07050	3.1
60.08164	2.5
61.02906	6.2
62.28518	2.4
62.93504	2.6
63.85223	2.4
65.03918	5.5
67.05495	86.6
69.03429	3.6
69.07059	12.6
79.05487	59.7
81.07047	84.9
83.04954	3.8
83.08617	8.6
85.02902	5.2
85.06536	3.9
91.03943	3.7
91.05473	66.7
93.07038	82.2
93.07640	4.3
95.04966	11.2
95.08596	52.0
97.06541	8.3
97.10157	5.8
99.08076	3.2
105.07043	31.3
107.08574	26.3
109.06504	3.4
109.10165	21.4
110.35368	2.7
117.07014	32.0
119.08575	28.1
119.88069	2.7
120.57430	2.9
121.10161	31.3
123.11720	5.2
128.06149	3.6
129.05447	4.6
129.06969	15.0
131.08560	32.9
133.10139	22.4
135.08125	4.9
135.11705	19.0
141.06979	5.6
143.08569	6.8
145.10106	27.1
147.11703	11.3
149.09618	4.2
149.13263	5.3
155.08577	5.3
157.10130	8.8
159.11671	16.7
161.13254	8.2
171.11711	10.5
173.13303	12.5
175.14873	4.0
179.27931	3.5
183.11743	5.7
184.07452	7.2
185.13237	6.6
187.14865	8.5
197.13258	3.4
199.14874	3.7
201.16356	14.0
211.14897	5.7
215.17918	5.2
233.18954	3.8
267.20953	15.5
285.22159	12.5
307.22629	100.0
308.22870	4.6
359.25757	13.7
410.62054	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	788.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32532	2.1
60.08153	10.4
67.05483	1.6
71.07380	5.0
79.82994	1.9
86.09698	52.9
86.10200	3.6
87.42367	1.9
96.32835	2.1
98.98511	3.5
104.10778	2.9
124.99992	25.3
125.00773	2.2
184.07329	100.0
307.81192	2.4
384.59457	2.2
517.60144	3.0
551.46552	2.2
611.27582	2.8
788.54230	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	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11501	11.7
59.06184	11.5
62.99596	12.7
69.34324	12.1
71.78454	14.9
72.08168	16.3
75.22857	14.2
86.09695	14.5
96.97807	13.6
105.06984	14.4
116.86721	16.5
124.99998	15.4
172.24199	15.1
184.07372	51.0
195.41966	16.2
206.35875	15.8
242.70262	15.4
262.35504	15.2
290.74872	16.6
344.94113	21.0
452.78720	19.1
471.25125	21.3
606.35138	24.6
647.61542	18.0
701.47528	100.0
729.46759	43.8
788.45837	56.7
788.57007	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	788.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.07058	0.5
58.06621	0.4
60.08156	9.7
67.05480	0.5
70.06560	0.3
71.07359	5.0
72.08165	0.4
74.18726	0.3
74.84103	0.4
81.07037	0.6
86.09698	42.8
87.10003	0.4
91.05470	0.6
97.69753	0.3
98.98456	4.0
104.10751	3.7
124.99995	22.8
166.02634	1.2
184.07330	100.0
185.07651	0.6
282.70135	0.4
284.81595	0.3
636.33771	0.5
730.49567	0.8
788.55023	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.0
58.06603	0.4
60.07857	0.6
60.08156	10.7
68.16072	0.3
71.07359	4.8
77.83419	0.3
78.55639	0.3
83.74784	0.3
86.09695	47.8
98.98454	3.5
104.10732	4.3
124.99993	25.9
127.89641	0.3
137.05922	0.8
166.02605	1.2
184.07326	100.0
199.67056	0.4
304.32516	0.4
320.91187	0.4
636.43567	0.5
700.71686	0.4
790.52325	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	790.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.4
57.03427	15.4
57.07083	7.9
58.93353	8.1
65.90913	8.0
67.05502	100.0
68.19046	8.3
69.07057	17.2
79.05488	38.2
81.07030	55.9
83.08633	10.6
89.06039	11.9
91.05475	46.0
91.71642	19.5
93.07034	37.9
95.08585	51.3
104.10825	10.1
105.07029	34.0
107.08623	30.8
108.23218	10.1
109.10166	24.6
117.06998	15.1
119.08593	29.4
121.10133	21.0
123.11677	15.7
125.00002	12.2
129.07042	11.2
131.08620	19.7
133.10132	22.9
133.14063	9.7
135.11745	11.3
142.44881	10.1
145.10123	26.8
153.64302	10.0
175.14766	15.7
184.07362	30.1
203.17976	14.2
215.21201	10.8
246.60019	10.4
266.51517	11.8
269.22687	12.6
307.22650	56.2
309.24258	55.8
361.27228	12.7
406.67059	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	790.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.2
55.36116	8.8
55.71401	7.9
56.89610	7.8
57.03423	19.4
59.41021	8.7
67.05495	100.0
69.07047	30.8
73.59142	11.0
74.18099	8.8
77.54893	9.5
79.05483	51.0
81.07043	88.0
86.09695	33.5
91.05474	76.7
93.07037	68.6
95.04974	13.0
95.08607	88.5
105.07012	51.7
107.08581	33.2
109.10161	24.6
117.07008	29.1
119.08588	44.9
121.10139	18.7
125.00016	30.1
129.07005	10.2
131.08546	22.0
133.10117	32.2
145.10080	19.8
147.11751	16.2
149.13353	11.4
157.10168	16.6
159.11749	18.8
161.13222	33.6
162.27350	11.3
175.14832	21.3
184.07375	82.7
185.76437	10.6
197.07581	11.7
259.20462	15.8
291.82422	11.8
310.79953	12.4
332.82858	11.0
333.24173	21.0
335.25797	67.9
377.76114	11.4
478.35046	12.0
528.85474	13.5
805.42731	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	790.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	6.4
59.04779	1.2
60.08157	11.3
71.07363	6.1
72.08134	2.6
78.79079	1.2
86.09697	48.2
89.06044	2.3
97.82317	1.2
98.98460	3.4
104.10742	3.4
106.08972	1.5
120.32575	1.4
124.99990	26.7
136.56567	1.3
144.10211	2.3
159.81415	1.4
167.10802	1.5
184.07327	100.0
198.89049	1.4
236.14841	6.3
237.29755	1.7
237.68430	1.6
339.71576	1.7
369.53369	1.6
407.58292	1.6
506.41214	1.5
580.62811	1.8
643.09460	1.6
650.43719	1.7
772.56451	2.4
775.16516	1.8
790.56018	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	790.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	9.1
62.15149	1.2
66.19263	1.4
71.07378	5.9
75.14301	1.1
80.54766	1.1
86.09698	43.5
86.10191	2.7
98.98479	2.4
104.10759	3.0
124.99997	20.4
184.07339	100.0
243.95450	1.5
540.02075	1.8
542.64539	1.7
559.96588	1.8
790.55457	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64170	9.6
74.91671	11.3
107.30664	11.1
116.04945	13.9
119.06031	15.1
120.08092	25.5
122.06007	15.1
132.06787	19.7
133.07585	17.9
145.07623	25.3
146.06006	23.8
147.09187	74.1
149.45107	11.9
151.52074	12.1
157.07564	15.9
159.09148	60.4
161.10698	41.8
163.08797	16.4
172.03954	72.3
173.10690	37.1
187.08649	27.0
190.09616	15.5
201.10258	24.1
204.06476	100.0
204.11258	20.3
205.09818	21.7
205.12077	31.2
218.12944	51.8
245.09389	13.4
248.10097	30.7
249.11069	25.4
250.11646	60.2
262.11880	23.3
264.08997	13.6
286.50635	16.5
303.13388	14.8
308.13928	22.0
377.16187	17.7
386.14926	19.6
415.15155	30.5
421.14975	29.2
433.16055	18.4
453.17648	57.5
454.19473	16.9
474.15924	17.6
492.17752	31.6
506.19278	21.6
557.03363	14.4
593.23816	18.3
636.27545	14.9
640.80554	16.5
697.29449	19.7
722.88458	14.8
723.27533	33.1
725.28778	16.3
741.28851	84.1
755.29016	26.0
773.31616	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.381
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12695	8.9
69.85475	8.1
74.72228	9.3
133.07613	11.9
147.09154	100.0
159.09138	20.0
161.26389	10.9
166.08653	11.7
190.47282	12.8
204.06628	17.8
205.09789	17.7
213.37863	14.8
217.16966	25.2
247.14359	24.1
249.15892	15.1
261.15915	89.4
263.11844	20.1
272.29147	10.6
277.23364	11.5
279.11304	28.6
309.12344	48.5
337.11826	18.9
369.14441	56.1
452.21448	19.4
482.67651	12.7
607.97766	14.0
687.48004	13.5
742.34186	31.3
760.34686	26.2
774.37311	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	792.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50647	12.1
75.30897	14.2
98.02925	14.3
98.81815	13.6
134.09651	23.7
136.07567	21.6
147.09145	100.0
159.09233	25.4
172.03967	18.5
192.08806	24.5
204.06544	26.6
205.09738	64.9
217.17007	39.7
247.14346	34.7
249.16084	21.2
261.15915	91.9
263.11725	27.1
265.13199	22.7
274.32819	19.5
279.11398	23.8
297.12399	18.6
309.12289	53.3
332.89233	18.1
337.11835	41.5
339.13504	29.0
369.14493	84.3
534.54797	22.7
642.72278	20.2
742.34967	38.1
760.35376	27.3
774.17206	19.6
774.36230	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	57.1
68.95036	24.4
75.81811	28.9
81.07104	43.1
86.09724	35.4
93.95174	30.6
103.17566	33.2
107.13374	30.7
119.69151	28.0
167.79233	35.7
236.15038	100.0
497.99890	36.4
630.53729	47.4
653.72260	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.4
57.03432	20.5
57.07047	3.5
57.48798	3.4
61.02911	5.9
65.03888	2.8
67.05495	92.2
69.07069	21.4
71.04985	5.2
71.08589	3.4
79.05485	39.1
81.07048	100.0
83.08604	10.0
84.30011	3.4
86.09663	4.6
88.72513	3.2
91.05477	29.2
93.07029	63.0
95.04956	6.4
95.08037	6.3
95.08604	72.5
95.09167	7.0
96.11369	3.7
97.06528	6.3
105.07031	29.9
107.08580	37.6
109.10141	31.9
111.71729	3.9
117.07034	11.0
119.08553	21.8
121.10114	31.2
123.11717	11.1
131.08562	12.3
133.10149	15.5
135.11708	16.9
145.10136	12.2
147.11694	12.2
149.13249	10.3
159.11723	11.2
161.13310	13.1
163.14732	4.1
173.13278	8.6
173.71495	4.1
174.13676	4.4
175.14824	6.5
243.21260	4.9
259.20560	5.2
261.22183	13.3
280.27380	4.2
335.25748	92.1
337.27292	8.6
595.47052	12.5
613.47870	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	793.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07916	3.8
65.61682	4.1
72.04523	11.3
86.09688	4.3
91.05487	5.1
108.43087	4.3
118.06543	5.3
120.08098	10.4
122.19420	4.7
132.08090	6.7
134.09665	15.3
135.09204	6.4
136.07605	12.2
144.04440	8.5
144.08011	5.2
145.07626	16.3
146.06026	11.4
146.08414	4.7
147.09180	47.9
148.07603	7.1
159.09172	54.2
160.09949	6.4
161.10738	27.6
162.05518	7.4
164.07114	20.9
166.08727	15.9
171.09216	7.4
172.03914	24.8
172.09973	5.1
173.10754	37.0
174.11603	6.1
176.07089	5.8
187.08568	10.2
188.12566	4.6
190.04977	5.0
190.09798	6.9
201.10318	19.1
204.06528	34.5
204.11369	12.3
205.09706	13.9
205.12099	10.4
216.11328	9.1
218.12863	77.2
223.12309	8.0
231.07700	8.3
245.09290	10.0
248.10071	19.0
249.10876	20.9
250.11700	19.9
251.11789	10.5
262.11887	82.9
263.11783	29.9
265.13293	11.5
273.04761	5.0
279.11276	30.4
291.11133	9.9
293.12912	12.1
297.12436	7.6
309.12277	50.1
311.13913	10.5
329.41144	5.3
337.11816	22.6
339.13394	16.0
350.15240	5.9
369.14392	100.0
371.15973	27.4
421.15082	9.4
453.17685	16.7
494.19186	13.1
561.26190	6.2
613.26001	6.4
618.25909	15.0
635.35352	5.6
699.30939	10.5
743.30457	32.9
757.32526	6.5
761.30890	10.4
775.32928	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
90.28732	11.9
91.71070	22.9
108.08107	36.6
120.08108	21.6
122.09700	22.3
136.07635	23.1
138.09135	25.1
139.04848	12.8
146.08260	15.2
150.09186	26.3
165.10286	20.2
172.03979	69.4
177.10201	36.3
190.04977	13.3
195.43799	12.8
204.06552	100.0
205.09821	14.6
217.09755	14.9
219.11290	97.9
222.12514	13.9
236.13922	36.0
252.05490	17.1
279.11215	15.8
281.12875	17.6
337.11896	38.3
377.55368	15.4
454.82263	15.8
471.19135	21.9
639.27338	15.4
688.71399	18.1
756.22437	17.6
761.31171	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40147	2.1
57.03429	3.3
61.02918	10.9
62.04233	2.3
67.05495	10.0
69.03421	7.6
73.02904	5.4
77.95713	2.6
79.05473	6.2
81.03422	2.9
81.07047	7.2
85.02921	8.7
85.93948	2.4
91.03957	8.2
91.05487	8.3
91.71013	4.5
93.07058	10.2
95.08626	5.6
97.02896	10.8
99.45509	2.7
99.79160	2.4
101.02380	3.1
102.83612	2.6
105.07049	4.6
107.08593	4.9
117.07047	3.2
121.10137	3.9
218.51173	3.0
383.47318	3.3
396.88806	3.5
431.09689	3.1
481.64835	3.2
491.26434	8.6
543.29547	4.3
572.31927	3.2
793.48633	100.0
794.49078	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	793.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19321	6.7
58.06600	7.5
63.63591	8.2
130.61748	10.1
236.24255	9.0
375.34113	10.5
428.37604	9.3
501.39877	10.1
536.27777	10.2
793.54346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78176	6.0
77.23903	5.7
78.61248	5.7
82.94502	5.2
94.06543	10.3
102.73231	6.6
106.06561	7.3
108.08109	12.6
120.08106	15.5
132.06807	6.8
133.07599	17.8
136.07613	17.4
145.07611	15.5
146.06033	7.9
147.09207	11.6
148.11191	6.6
152.07092	9.1
159.09145	10.3
163.08644	46.3
164.07109	15.0
166.08640	19.1
172.03944	20.3
189.13899	13.4
202.57941	6.8
204.06647	45.0
205.13380	13.9
206.14127	8.1
217.13376	14.4
219.11365	19.8
219.14864	44.8
233.12910	24.1
237.10291	6.6
239.11540	7.9
249.12416	20.2
250.13179	18.4
251.13892	16.5
253.13438	7.2
263.11636	9.6
263.13922	100.0
269.23215	6.9
279.11353	19.4
281.12717	8.5
293.12845	8.2
297.12335	12.6
299.13925	8.4
309.12146	49.6
337.11868	26.3
369.14420	77.2
371.16058	12.6
422.16837	16.2
447.19205	7.7
454.19641	19.4
619.27454	10.3
710.69257	7.4
735.19550	9.4
744.32251	51.0
776.34943	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	794.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
57.07072	2.5
59.28617	1.3
65.03944	1.8
67.05491	17.6
67.05788	1.5
69.07076	6.6
79.05468	12.7
81.07046	34.4
81.07479	2.5
83.04996	3.9
83.08613	2.0
91.05473	27.3
93.07035	13.6
93.87607	2.0
95.04987	4.3
95.08606	12.5
97.06559	3.3
98.25134	1.7
105.07002	12.1
107.08569	8.6
109.06513	13.0
109.10199	6.3
111.04424	15.3
117.07005	10.1
119.08578	10.7
121.10205	5.3
123.08042	2.5
125.06039	7.3
129.07018	2.8
131.08557	9.0
133.10207	6.2
135.08064	3.6
135.11749	7.4
137.05969	100.0
137.13245	1.8
143.08620	4.0
145.10164	4.2
147.11737	6.3
149.09686	4.1
151.07553	3.7
157.10207	3.1
158.80551	2.0
159.11668	3.7
161.09665	8.2
161.13293	2.5
163.11218	3.3
165.09201	2.4
171.11656	2.0
175.11263	5.3
179.10797	2.5
189.12717	2.1
201.16508	2.3
203.18080	5.2
213.16461	3.0
231.17490	5.0
249.18629	4.7
277.17944	35.8
295.19028	12.1
320.22302	4.0
351.21774	12.6
359.25885	7.1
463.83273	2.2
581.85333	2.1
628.94196	2.4
635.43030	35.8
653.43842	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	794.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	26.5
66.23711	6.0
67.05493	98.9
69.03406	29.1
69.07042	45.9
72.27136	5.9
73.62360	5.6
79.05481	57.5
81.03403	6.5
81.07049	92.6
83.04925	7.2
83.08604	24.9
89.58846	5.7
91.05460	50.8
91.71706	12.8
93.07035	88.0
95.04966	24.4
95.08599	50.0
97.02887	21.8
97.10162	18.7
103.43464	7.9
105.07039	32.1
107.05004	10.8
107.08597	39.3
109.06492	7.2
109.10150	19.0
117.07021	14.5
119.08562	13.9
121.10158	44.5
123.08077	7.0
125.09646	14.2
127.67010	6.3
129.06979	7.3
131.08582	18.4
131.11665	6.7
133.10083	12.9
135.11713	12.9
145.10095	12.6
159.11674	10.1
184.07391	11.3
195.13826	10.0
215.18022	9.8
223.13249	21.2
233.19029	21.0
273.18442	22.4
291.19464	99.6
307.22641	100.0
365.23123	53.2
431.52280	7.7
471.89841	9.0
597.41571	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36911	3.6
60.08157	7.6
71.07361	19.8
78.96766	4.1
83.42159	4.0
86.09702	98.5
92.58131	4.1
104.10748	4.8
124.24931	4.2
125.00006	23.3
131.71985	4.1
162.95569	40.8
184.07346	100.0
216.19284	4.0
245.88199	3.7
539.72632	4.9
733.22620	4.3
735.43408	29.3
755.27368	4.6
758.10101	4.1
794.51740	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	794.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44261	4.6
60.08130	6.0
62.41177	4.5
64.33212	4.5
64.67369	3.7
71.07356	12.7
85.39435	4.4
85.66728	4.4
86.09704	65.2
93.46811	4.3
104.10716	6.7
124.63129	4.5
125.00010	22.1
180.91252	5.7
184.07335	100.0
266.14548	5.0
337.01425	6.6
369.05624	5.7
401.60788	6.1
611.45660	7.7
794.52307	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	794.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44261	4.6
60.08130	6.0
62.41177	4.5
64.33212	4.5
64.67369	3.7
71.07356	12.7
85.39435	4.4
85.66728	4.4
86.09704	65.2
93.46811	4.3
104.10716	6.7
124.63129	4.5
125.00010	22.1
180.91252	5.7
184.07335	100.0
266.14548	5.0
337.01425	6.6
369.05624	5.7
401.60788	6.1
611.45660	7.7
794.52307	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	794.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22117	39.2
81.40599	47.7
86.09711	75.8
101.95670	38.9
110.76120	37.4
118.15550	52.1
153.05428	49.5
184.07275	86.0
236.14868	76.4
238.69530	45.8
285.03357	60.9
523.69452	49.8
707.46301	100.0
794.53021	57.3
826.71912	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	794.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44261	4.6
60.08130	6.0
62.41177	4.5
64.33212	4.5
64.67369	3.7
71.07356	12.7
85.39435	4.4
85.66728	4.4
86.09704	65.2
93.46811	4.3
104.10716	6.7
124.63129	4.5
125.00010	22.1
180.91252	5.7
184.07335	100.0
266.14548	5.0
337.01425	6.6
369.05624	5.7
401.60788	6.1
611.45660	7.7
794.52307	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07118	5.5
58.68310	5.6
60.60799	5.3
61.02929	14.8
67.05509	20.6
69.03445	10.9
73.02921	8.9
81.07067	10.5
85.02135	6.6
85.02912	16.6
86.09727	7.6
91.03986	7.3
91.39212	6.5
93.07102	13.1
95.08622	11.4
96.37235	7.9
97.02919	12.4
104.29880	6.9
185.71359	7.2
289.72192	8.4
464.77176	8.1
795.50256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	12.2
67.05496	9.0
69.03442	8.9
69.20796	7.9
69.82153	7.8
80.37731	8.7
81.07067	14.2
86.09706	14.0
102.61214	9.5
111.12437	9.3
125.94147	9.1
134.42505	9.7
171.19171	10.9
174.46011	11.4
184.07372	26.3
191.58313	10.7
211.52228	11.1
232.49130	10.9
276.75024	12.1
517.27802	15.7
692.19513	12.9
776.75385	11.2
795.49762	100.0
799.69275	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	796.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
84.13790	15.3
106.06570	31.0
116.21422	14.0
116.97136	17.0
119.06094	23.5
120.08109	31.0
132.06833	24.7
133.07600	25.0
136.07567	68.7
145.07628	66.7
146.06004	22.3
146.08391	21.6
147.09186	40.0
148.07530	19.4
151.81705	16.8
152.07077	17.3
159.09146	30.1
161.06953	18.4
163.08711	44.3
164.07077	24.5
166.08618	37.3
172.03957	68.5
172.05463	14.9
173.10643	19.7
175.08624	27.9
177.10219	32.1
204.06505	100.0
207.11328	22.3
221.09178	79.1
221.12862	41.5
237.10313	23.7
239.68130	17.1
252.10858	23.1
263.11862	28.1
265.11667	99.1
279.11252	23.4
293.12747	24.7
297.12323	33.9
309.12256	53.3
337.11682	40.0
339.13287	24.4
369.14502	89.0
456.17419	30.0
746.30658	89.6
778.33392	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	796.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55978	14.9
63.16646	18.4
64.03069	14.1
70.06581	22.4
78.13868	13.9
81.42997	15.2
91.71671	17.3
98.30411	16.9
106.06532	40.2
107.07364	17.3
108.08132	17.6
119.06064	27.0
120.08091	32.1
132.06839	26.7
133.07631	30.3
136.07587	66.7
145.07626	72.8
146.08488	20.0
159.09113	18.9
163.08667	49.3
166.08612	23.2
172.03975	65.6
175.08717	27.7
199.84270	20.2
203.11842	29.3
204.06544	90.1
205.69539	23.2
221.09291	70.8
221.12851	25.4
236.99117	16.2
238.74789	17.9
265.11749	100.0
279.11288	32.8
291.11392	21.1
309.12411	48.3
311.14047	21.1
325.11240	23.6
337.11948	63.1
339.13513	36.3
358.28903	20.8
369.14459	75.3
746.31390	95.2
755.19446	21.1
778.32837	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	796.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
57.55717	2.9
60.77267	2.7
67.05502	31.8
68.21635	2.9
69.03451	3.9
69.07068	11.0
76.98815	3.0
77.20992	3.1
79.05487	24.6
81.03458	3.5
81.07057	53.3
83.04973	6.0
83.08630	6.3
91.05482	36.8
93.07027	27.2
95.04993	3.6
95.08592	20.3
97.06546	6.5
98.34077	3.0
103.10743	3.1
105.07039	21.8
107.08588	16.5
109.06575	11.6
109.10180	11.4
111.04450	18.7
117.07037	8.1
119.08585	19.1
121.10196	12.3
123.08176	4.1
125.06030	5.9
125.09715	4.6
129.06996	3.5
131.08609	13.1
133.10175	12.2
135.08105	5.7
135.11748	11.7
137.05975	100.0
137.09686	3.3
137.13255	3.7
143.08556	3.8
145.10141	6.3
147.11742	14.6
149.09689	5.8
161.09706	4.8
161.13219	3.6
163.11232	8.9
175.11255	7.8
184.07336	3.8
200.25922	3.4
203.18057	7.4
221.18953	4.2
231.17488	8.3
249.18637	4.4
274.66357	4.0
275.20215	5.7
277.17981	29.7
295.19150	14.4
307.22739	9.8
320.22235	8.8
351.21765	17.0
361.27502	7.0
581.42267	5.2
637.44489	40.1
655.45587	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	796.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	18.8
61.02922	4.6
67.05495	100.0
68.10439	3.2
69.03420	9.6
69.07063	26.0
69.42852	3.1
79.05480	61.2
81.03413	10.2
81.07047	96.0
82.90504	3.2
83.04967	13.0
83.08602	13.7
83.09064	4.2
85.02908	8.5
87.50195	3.7
90.71036	2.9
91.05476	52.4
91.71140	4.0
93.07034	83.0
95.04957	16.3
95.08596	48.7
97.02894	4.9
97.06526	9.9
97.10142	4.5
99.08057	4.8
100.92272	3.9
105.07017	39.8
107.08598	32.0
109.06547	4.6
109.10143	18.7
117.07029	15.2
119.08565	28.6
121.10135	36.5
125.09676	4.6
129.06967	4.4
131.08537	21.2
133.10112	30.3
135.11653	20.0
139.11172	5.3
143.08559	4.6
145.10120	14.8
147.11691	9.3
149.09615	6.5
149.13242	10.8
159.11728	12.4
163.11217	5.7
173.13228	9.3
215.18016	6.1
225.59393	3.8
233.19046	8.5
255.16042	5.2
269.17490	16.4
275.20081	12.9
279.33038	4.1
307.22672	71.9
347.97366	3.9
349.23807	12.5
422.98029	4.4
472.27423	4.2
487.34088	7.5
501.35828	28.5
541.38770	6.2
581.41772	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	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76644	3.2
56.01089	3.5
57.03432	19.3
57.07062	3.9
58.06578	8.5
60.08133	4.0
65.03937	4.0
67.05493	87.6
69.03426	5.6
69.07063	23.4
78.02273	3.6
79.05482	55.4
81.03406	4.1
81.07047	100.0
83.04971	6.2
83.08159	4.3
83.08597	27.2
85.02846	4.4
91.05473	59.9
93.06485	6.9
93.07032	78.7
95.04954	18.4
95.08601	66.4
97.06521	7.6
97.10155	7.3
105.07021	41.7
107.04935	8.6
107.08588	31.4
109.06503	5.7
109.10176	24.0
111.71879	4.3
117.07011	19.3
119.08594	32.8
120.07582	4.9
121.06470	6.6
121.10139	33.3
123.11723	6.2
125.09646	6.1
128.44540	3.7
129.07053	4.2
131.08594	25.7
133.10130	27.5
135.11688	17.0
139.11192	5.1
145.10109	23.0
147.11661	12.7
149.09627	21.1
149.13242	9.0
151.11205	5.6
155.08591	4.4
159.11658	16.1
161.13205	6.2
163.11134	14.6
173.13237	5.9
184.07387	5.1
215.31699	4.7
233.19009	6.7
236.15033	8.3
257.18918	7.6
275.20035	47.6
293.21078	6.5
307.22653	95.5
307.26144	5.5
335.25925	13.7
349.23459	32.0
367.24802	17.2
517.18542	5.7
526.77643	4.8
581.41974	17.3
599.42859	33.4
796.55579	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	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89029	3.4
55.91833	4.1
57.03427	18.7
57.07070	4.7
58.06589	6.6
67.05496	90.6
69.03409	6.3
69.07066	24.6
77.88111	4.3
79.05487	53.2
80.04286	4.4
81.03425	8.4
81.07052	100.0
83.04962	7.3
83.08598	8.4
85.06516	5.3
91.05460	53.8
91.79664	4.3
93.07044	69.7
95.04971	12.9
95.08602	54.9
97.06544	7.9
102.41018	4.1
105.07026	33.7
107.04963	8.2
107.08612	38.0
109.06517	10.5
109.10156	24.6
111.08078	5.4
116.20966	4.8
117.07032	16.4
119.08587	30.5
121.10097	27.0
121.92870	4.7
123.11699	7.4
125.09570	4.8
128.61487	4.5
129.07025	7.1
131.08603	21.7
133.10089	22.3
133.30124	4.4
135.11711	13.8
145.10146	16.1
147.11720	17.1
149.09674	7.4
149.13271	7.4
157.10103	10.0
159.11700	13.5
161.13283	7.9
173.13257	8.5
189.12799	5.1
195.00252	5.1
201.11197	6.7
201.16281	7.0
211.14778	6.7
229.15819	7.6
236.15016	7.6
261.22113	6.0
275.20090	15.6
284.94308	6.1
307.22675	43.5
315.90350	5.9
335.25891	31.6
349.23807	12.5
367.24896	11.3
440.01120	6.2
541.38867	10.2
581.41504	13.7
599.42572	16.6
796.55896	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	796.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.3
62.07529	5.9
62.21468	5.7
64.83585	7.3
67.05495	85.7
68.37617	6.8
69.03408	6.0
69.07056	29.9
71.04964	12.3
71.39225	7.0
73.85390	6.7
77.94277	7.7
79.05481	46.7
81.07052	73.7
83.08625	18.3
85.06552	9.7
91.05470	100.0
93.07035	82.3
95.04964	23.9
95.08604	72.9
105.07029	76.7
107.08601	40.5
109.10146	27.3
117.07005	42.5
119.08569	49.0
121.10135	32.0
123.11675	9.5
125.53621	8.1
128.06306	11.2
129.06984	34.0
131.08572	51.2
133.10127	52.7
133.94089	7.6
134.76273	6.8
135.08112	9.6
135.11693	23.4
141.07014	12.5
143.08577	31.0
143.63190	8.1
145.10175	46.8
147.11699	29.3
155.08601	15.5
157.10152	30.1
159.11693	26.5
161.13235	11.8
162.36746	9.7
165.06995	8.1
167.08611	9.0
169.10155	21.6
171.11723	30.4
173.13242	15.6
181.10208	9.1
183.11752	17.3
185.13280	16.8
187.14772	10.2
195.11546	10.1
197.13315	19.5
209.13255	11.8
223.14674	10.0
246.84697	8.1
253.76042	10.4
364.20877	10.0
400.61118	11.1
448.30212	9.6
489.36987	10.3
581.41998	82.7
639.15070	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	796.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06799	6.1
57.07069	100.0
71.08641	4.5
75.47364	3.2
78.72084	3.3
87.04456	47.2
89.06023	95.8
89.06538	7.3
91.05479	12.2
93.07047	6.1
96.91904	3.2
111.54861	4.1
118.07793	4.9
119.04984	7.4
119.08568	5.7
119.38902	3.6
121.06503	25.4
125.08935	3.3
130.08635	30.8
131.07072	11.9
132.05812	4.6
133.08609	86.4
135.08078	5.5
141.80928	3.8
147.08064	15.9
149.09621	9.8
150.06760	7.0
165.09134	6.9
175.09720	10.2
177.11249	26.4
177.12642	5.5
182.56483	4.3
219.12250	4.9
221.13867	4.3
233.18933	20.7
259.20529	7.0
277.21643	25.0
293.31390	4.5
321.24225	11.1
325.33331	4.9
355.88068	4.4
399.33594	3.9
420.63818	4.6
779.51117	5.4
796.54370	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	796.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.9
56.06675	0.9
58.06591	1.0
60.08153	10.6
60.62988	1.0
67.03438	1.0
71.07372	5.8
71.07706	1.1
75.07712	1.0
86.09171	2.5
86.09696	43.7
87.48895	1.0
91.71686	2.2
98.98473	3.7
101.61085	1.0
104.10731	2.3
104.25932	1.0
108.84195	1.1
124.99983	20.0
126.17484	1.2
184.07333	100.0
229.19890	1.1
363.33377	1.2
543.35284	1.5
709.48059	1.8
778.53503	3.1
796.54669	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	796.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88171	1.2
60.08160	9.5
62.34910	1.2
67.15052	1.2
69.30055	1.1
69.87318	1.3
71.07357	4.4
71.25419	1.1
80.10741	1.3
86.09699	41.9
88.58265	1.1
97.93368	1.4
98.98429	3.2
104.10739	3.5
109.57100	1.1
110.71344	1.1
111.45412	1.1
114.22703	1.0
120.23100	1.1
120.66580	1.2
123.00188	1.0
125.00006	24.5
126.65328	1.3
140.28725	1.1
152.51620	1.5
154.23502	1.2
184.07327	100.0
236.14619	1.4
290.62164	1.6
353.24796	1.4
402.28741	1.4
778.53485	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	796.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	19.0
57.07064	13.4
58.06554	5.3
60.04716	5.5
60.08149	16.0
63.98164	5.9
65.71509	9.2
67.05496	100.0
69.07063	53.6
71.08571	6.5
79.05474	17.7
81.07047	96.2
83.08601	26.9
86.09689	39.6
91.05477	18.4
93.07027	33.3
95.08607	83.2
96.59489	6.3
97.10144	10.5
105.07035	16.5
107.08595	29.1
109.10137	35.6
111.08010	6.8
119.08570	17.1
121.10159	17.8
122.58907	7.4
123.11670	13.4
125.00031	18.1
133.10112	6.9
163.14818	8.4
184.07323	87.2
263.24011	10.2
276.81378	8.0
277.10223	7.1
326.34442	8.5
337.27380	91.6
339.28833	10.3
586.42773	8.8
597.97137	9.2
599.50232	21.7
617.51282	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	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.4
61.02919	6.3
67.05496	18.7
69.03430	4.1
69.07032	3.1
73.02905	8.6
73.65780	2.4
79.05479	6.8
81.07040	11.9
85.02895	12.8
91.03964	3.4
93.07019	7.3
95.08613	8.8
97.02892	13.3
107.08524	3.2
108.30499	2.9
109.10175	3.7
110.20572	2.7
123.65542	3.0
127.03901	3.6
168.49744	2.7
184.07349	7.2
194.06790	3.5
227.76346	3.0
302.92053	3.3
340.14020	3.3
519.29169	14.4
637.48315	4.3
797.36725	4.9
797.51630	100.0
798.50494	5.0
803.77924	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	798.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58569	4.1
64.92904	4.2
77.15807	3.9
77.95033	3.8
91.71495	17.2
93.07007	11.9
95.04853	4.5
103.05494	7.1
103.75164	4.7
119.06064	17.3
119.64365	5.0
120.05709	8.1
120.08082	7.1
121.06503	100.0
129.26085	4.8
130.80162	5.5
132.06815	8.6
133.07642	11.5
134.08412	24.5
135.09177	22.2
136.07637	5.4
142.45415	4.9
145.07642	6.4
146.08449	9.0
147.09154	54.8
159.09212	14.7
161.10713	15.6
164.07065	13.3
166.08673	5.4
171.88350	5.1
172.03864	6.3
195.53197	5.7
204.06566	9.2
206.00671	5.7
232.57695	5.5
235.12424	5.7
239.11903	5.7
252.12398	4.9
253.13354	28.1
254.14064	10.9
255.14815	11.7
263.11841	16.8
265.13260	8.9
266.14160	7.7
267.14917	87.1
279.11334	19.1
291.11023	6.8
293.12769	10.6
306.12390	6.7
309.12387	40.5
337.11734	13.4
339.13455	11.8
369.14496	58.7
381.69077	5.6
458.20728	8.2
691.70837	5.5
748.33459	12.0
766.33582	20.5
780.35138	28.6
798.36560	21.2
823.04529	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	798.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
60.08159	12.5
68.57967	1.8
71.07373	4.3
82.49995	1.8
86.09698	48.0
86.10189	3.2
91.71648	4.2
98.98503	1.8
102.84956	2.3
104.10785	3.0
104.35740	1.7
124.99990	21.2
131.57948	2.0
142.50896	2.2
146.21693	2.1
166.04178	2.1
184.07323	100.0
198.08694	1.9
210.73216	2.0
228.55441	2.4
236.15086	5.8
243.00839	2.2
245.07298	2.3
280.80487	2.5
314.51990	2.4
321.06546	2.4
345.54166	2.2
380.31143	2.5
467.37827	2.3
798.48083	3.0
810.43988	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	798.506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	31.8
59.07369	7.7
60.08148	17.7
61.13237	4.1
67.05498	33.2
68.81638	4.0
71.07372	21.8
76.23792	4.5
79.05489	17.0
81.07049	16.0
83.08633	4.9
86.09698	100.0
87.10005	6.2
91.05479	31.8
93.07045	21.3
95.08607	11.2
97.06588	4.5
104.10773	4.9
104.85636	5.3
105.07048	14.1
107.08532	6.1
115.92247	4.2
119.08613	6.7
121.10181	5.6
125.00002	17.2
133.83553	4.7
144.10216	12.5
144.75075	4.4
146.98160	52.9
165.25229	5.0
167.71768	4.8
184.07330	87.5
185.07686	13.8
188.00951	7.8
223.64122	5.5
236.14890	43.7
260.46304	4.6
331.25757	5.6
468.62701	5.4
587.80829	5.3
615.43829	52.0
739.42920	21.9
756.19019	6.6
798.47620	7.6
798.58264	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82834	53.2
60.25386	54.7
64.91937	59.0
82.21278	61.4
84.98693	60.8
106.46165	79.1
186.14430	69.8
264.98035	79.5
354.07855	77.5
368.26184	86.6
398.45898	74.2
425.99045	99.4
694.06238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51053	5.6
59.72047	5.5
63.97783	5.8
65.59658	5.7
70.58508	7.6
75.41944	7.0
80.66581	5.4
89.12388	6.3
117.39259	6.4
127.76584	6.2
139.55363	6.4
170.44550	7.0
199.50262	9.0
207.89357	6.8
323.19379	7.5
533.39502	8.7
799.43707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	19.2
68.09151	9.2
70.23681	8.2
70.63142	9.6
84.62917	7.9
86.09690	10.5
109.43372	9.3
195.23070	9.8
196.84169	11.4
236.14938	33.0
265.04947	10.1
267.01407	12.5
297.46991	11.0
367.35501	30.4
368.36096	20.3
481.68195	12.7
749.58179	13.5
799.43677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	9.1
58.06582	22.5
60.08146	7.9
61.02891	8.5
67.05473	21.2
74.12556	7.2
76.34818	8.7
81.07048	13.9
81.91317	7.5
84.56496	7.7
85.02927	17.7
86.09677	6.7
91.05460	11.2
93.07005	12.5
95.08630	6.8
95.15395	6.8
95.16314	7.0
109.10220	7.0
131.77745	7.7
160.01260	7.4
161.28661	7.9
173.19946	7.7
186.30887	10.3
236.14899	29.8
240.00174	8.7
268.91547	9.0
277.53500	8.7
300.87009	8.4
445.94360	9.5
597.77399	9.8
718.57678	9.6
756.35718	10.1
780.92883	12.5
799.45844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11773	3.3
57.03412	5.0
58.06583	5.2
60.08140	6.1
61.02915	8.5
65.51116	3.8
67.05486	17.4
69.03423	11.0
70.29551	4.6
75.95942	4.1
77.34756	4.3
77.86662	5.0
78.23312	5.2
79.05462	8.9
81.07036	12.4
83.72765	4.6
85.02885	13.5
87.57034	4.2
91.03957	7.2
91.05492	8.3
91.70942	7.6
93.07037	6.0
95.04926	4.4
95.08598	7.9
97.02884	8.6
101.02381	4.8
105.06994	5.9
109.10143	5.1
121.10136	6.7
144.55284	4.8
159.33507	4.5
159.65002	4.4
236.14897	8.6
491.26120	12.5
597.92578	5.3
799.45697	100.0
800.46594	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	800.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.7
58.06579	1.0
60.07861	0.6
60.08153	10.1
61.77290	0.4
71.07358	5.2
86.09696	45.2
98.98449	3.0
104.10725	3.1
109.08491	0.5
124.99993	25.8
149.77710	0.5
166.02635	1.3
184.07329	100.0
188.83601	0.6
190.61324	0.6
355.73721	0.5
581.97308	0.6
800.52661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39490	1.4
60.37460	1.4
64.01881	1.7
78.20744	1.6
81.53585	1.5
83.29668	1.6
85.02893	2.1
85.26559	1.5
86.64659	1.6
89.00114	1.5
96.69569	1.5
103.92089	1.4
121.06593	1.6
153.01874	3.6
216.54008	1.8
287.05481	100.0
463.08600	21.5
516.92883	2.3
607.15790	2.1
634.51703	2.2
756.24127	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	801.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39490	1.4
60.37460	1.4
64.01881	1.7
78.20744	1.6
81.53585	1.5
83.29668	1.6
85.02893	2.1
85.26559	1.5
86.64659	1.6
89.00114	1.5
96.69569	1.5
103.92089	1.4
121.06593	1.6
153.01874	3.6
216.54008	1.8
287.05481	100.0
463.08600	21.5
516.92883	2.3
607.15790	2.1
634.51703	2.2
756.24127	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	801.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06561	5.0
67.05498	7.0
70.30357	6.1
88.26817	6.6
126.15642	5.4
139.68210	6.3
184.07277	7.9
345.82031	8.4
388.66254	7.6
480.47379	8.8
528.20258	8.3
801.45636	100.0
802.44965	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	801.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07671	5.9
82.71406	5.9
83.27928	6.0
125.47495	7.1
155.44736	8.1
159.53815	8.2
184.07413	16.4
258.62680	7.8
334.11105	7.5
343.75250	8.3
442.27750	8.2
801.46350	100.0
802.45972	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	801.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
89.20524	3.4
129.92303	4.0
185.61250	4.4
335.64505	4.7
801.45410	100.0
802.46082	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	801.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57533	17.5
71.67153	14.6
73.09200	14.0
113.30686	19.6
149.70442	17.7
168.96281	22.2
224.91573	18.2
239.87976	23.0
352.17178	21.4
801.45752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44362	10.3
77.12694	13.0
91.70947	18.3
94.62698	12.7
96.12301	11.3
166.29681	13.3
171.46558	12.7
177.14415	13.0
184.07309	18.0
254.58124	13.5
397.45813	15.9
480.16098	14.3
647.00616	14.3
756.39362	16.9
801.44891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	11.7
61.73306	10.8
66.58842	11.3
67.05495	10.3
71.08625	14.1
73.43380	11.9
75.14125	10.8
85.02896	14.4
95.08627	14.4
97.02900	11.8
121.10094	14.2
144.10109	17.3
146.35104	10.9
158.83272	10.7
169.75342	12.2
184.07365	12.2
236.14952	42.9
276.68814	12.1
801.47498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.8
59.08137	1.5
61.02909	8.8
63.26585	1.7
67.05497	11.7
69.03422	6.5
69.07059	2.5
73.02915	10.0
79.05485	8.4
80.37724	1.7
81.03400	2.7
81.07050	9.2
82.37821	1.9
85.02901	10.9
86.09747	2.7
87.04483	2.4
91.03957	5.2
91.05475	5.5
93.07050	9.6
95.08626	5.0
97.02885	8.2
99.08147	1.7
101.02393	3.5
105.07040	2.5
107.08605	5.0
109.02873	2.5
109.10161	2.1
121.10192	2.6
127.03903	2.6
130.16562	2.1
144.18573	2.2
172.33595	2.0
184.07271	3.5
196.79861	2.2
243.08495	3.8
257.26462	2.3
333.20450	4.4
491.25693	11.8
580.88141	2.3
691.67365	2.5
801.47479	100.0
802.47650	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	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13378	1.6
57.03429	3.0
57.98170	1.5
61.02925	8.4
67.05492	11.9
69.03421	6.0
69.07056	3.7
73.02923	7.5
79.05495	8.0
81.03410	4.2
81.07033	9.9
81.57076	1.7
83.08624	2.1
85.02907	11.3
86.09731	2.0
91.03967	5.6
91.05482	8.3
93.07040	9.6
93.53754	1.8
95.04942	3.7
95.08617	7.2
97.02882	10.7
99.04469	2.7
101.02394	2.8
105.07053	3.7
107.08617	5.1
109.10146	2.8
109.29380	1.9
119.08575	3.9
121.10172	4.8
154.84068	2.1
243.08456	3.7
333.20529	5.6
441.64395	2.2
455.24475	2.1
491.26108	9.8
551.28223	3.4
795.87457	3.0
801.47382	100.0
802.47711	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	801.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	4.9
61.02917	12.8
67.05493	14.7
69.03426	9.8
71.27608	4.0
73.02901	6.1
79.05482	8.9
81.03420	6.0
81.07043	13.8
85.02905	14.4
91.03914	6.9
91.05453	6.3
93.07028	12.3
97.02858	9.5
101.02426	5.0
106.15923	4.6
116.63029	5.5
121.10154	5.9
184.07291	8.2
204.77084	4.9
756.28589	9.3
801.47552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54570	7.8
59.30851	7.6
67.05523	14.9
68.12645	8.2
69.03418	12.0
93.07060	10.9
111.89319	9.9
139.99391	9.9
145.96150	10.0
168.26709	10.2
241.48495	10.5
402.20541	11.0
430.35049	11.3
444.87604	10.4
509.59467	12.2
511.76715	11.6
801.47675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68092	5.2
57.07079	16.3
66.67876	5.3
67.05504	16.7
69.63545	5.4
71.07378	22.5
71.08627	12.6
74.62730	5.7
79.05482	7.1
81.07056	12.1
86.09705	100.0
86.10197	7.5
91.05487	8.9
93.07027	8.9
93.13477	6.2
95.08633	10.9
121.41514	6.1
125.00032	6.9
126.47169	7.2
136.79111	7.6
146.98166	46.2
159.62288	6.9
184.05862	7.7
184.07440	20.4
201.83366	7.2
247.96182	7.2
335.44077	7.2
526.51807	8.7
619.47040	53.8
722.11731	9.1
743.46368	34.5
802.54138	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	802.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86580	0.5
56.05005	0.4
60.08158	9.2
67.38096	0.4
71.07362	5.3
77.52700	0.5
86.09700	45.5
98.98453	2.6
104.10727	2.0
124.99995	24.0
126.09483	0.6
184.07338	100.0
192.29416	0.5
231.83649	0.6
727.33618	0.7
775.83307	0.7
802.53534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.9
60.08153	9.2
71.07357	6.1
86.09692	48.2
87.10052	0.4
91.05414	0.5
91.71647	0.9
95.58782	0.4
98.98448	3.7
104.10735	3.2
109.07668	0.5
124.99992	24.1
164.44922	0.4
165.19980	0.5
166.02600	1.2
170.46217	0.5
172.21523	0.5
184.07323	100.0
243.86371	0.5
260.50824	0.5
271.36823	0.5
689.05676	0.5
802.53973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10083	1.4
60.08149	7.4
65.91701	1.6
71.07362	6.1
73.76130	1.5
86.09696	44.4
93.95420	1.6
98.98461	3.7
104.10744	3.8
106.13734	1.5
114.05560	1.7
124.99982	22.0
184.07332	100.0
197.96591	1.8
214.66180	1.8
223.54233	2.0
284.49283	1.7
303.50305	2.0
318.61786	2.1
389.32596	2.0
420.76547	1.9
731.57526	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	804.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	10.4
69.87754	1.1
71.07371	6.2
72.02866	1.3
80.23386	1.0
81.31079	1.0
82.76203	1.1
86.09693	46.1
98.98458	2.0
102.94013	1.2
104.10747	2.3
105.27057	1.2
120.64568	1.5
124.99993	22.8
157.83795	1.4
166.02605	1.7
179.73308	1.1
184.07327	100.0
260.88330	1.5
524.20490	1.3
554.74384	1.4
611.06451	1.5
786.52338	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	804.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.1
58.06590	0.4
60.08155	10.5
71.07069	0.4
71.07363	5.4
80.87018	0.4
86.09695	44.3
98.98457	3.2
104.10761	3.1
118.76368	0.5
123.02880	0.5
124.99996	24.8
137.05956	0.7
166.02615	1.3
184.07329	100.0
185.07710	0.5
213.19655	0.5
279.97809	0.5
290.35266	0.5
440.97424	0.6
525.39343	0.6
784.73767	0.5
804.53833	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	804.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	6.9
86.09692	28.3
89.06059	10.4
91.71009	14.8
98.33474	7.5
125.00015	9.9
136.50639	9.6
146.44550	7.4
184.07352	42.4
255.74896	8.1
321.87115	8.3
356.64066	7.7
603.10706	9.1
717.47003	100.0
745.46185	24.4
804.53485	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	3.9
60.08157	9.9
86.09696	53.0
87.56037	3.4
92.20704	3.9
95.08566	3.7
97.37694	3.6
97.77833	3.9
100.69432	4.0
104.10715	3.9
117.76856	3.8
125.00015	23.4
146.98195	5.8
162.94978	4.2
184.07321	100.0
194.38655	4.5
212.13794	5.4
225.74593	4.9
293.61346	4.2
312.41949	4.4
392.50464	4.4
400.84601	4.5
470.26193	4.7
530.56781	4.5
621.48077	8.7
631.05438	5.2
804.54425	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	804.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13091	0.4
57.48760	0.5
58.06596	0.8
60.08154	9.0
65.92097	0.5
71.07365	4.2
86.09697	42.9
97.02392	0.5
98.98474	2.8
104.10727	2.2
112.22238	0.6
115.67770	0.5
123.22875	0.5
124.99999	22.9
138.78239	0.6
166.02608	1.4
184.07332	100.0
185.07640	1.0
199.73201	0.6
237.95795	0.7
417.92975	0.6
517.91241	0.7
528.65082	0.7
804.54932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	10.9
60.39511	9.4
67.00998	9.6
67.05469	14.3
70.89278	10.6
86.09692	28.6
89.06024	13.2
89.75281	9.1
93.12656	12.7
95.08631	13.1
101.63326	10.4
120.27111	10.4
133.93102	10.3
179.91641	10.4
184.07338	30.1
194.05801	12.1
251.33493	13.2
334.10239	15.8
349.19870	26.7
491.65579	12.9
717.49084	100.0
804.56372	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49199	1.6
56.80672	1.6
57.06803	2.7
57.07070	48.5
67.05481	2.5
69.07051	7.2
71.08252	3.0
71.08627	41.5
73.02909	2.6
73.06550	10.7
83.08588	7.2
85.10177	20.1
86.09705	3.6
87.04462	18.2
89.06023	100.0
97.10161	8.5
99.11723	3.7
111.11748	2.3
112.66690	2.2
114.09193	3.7
117.09136	11.6
125.90694	2.0
130.08632	32.2
131.07047	3.7
133.08606	60.3
161.11572	2.5
175.09601	3.3
177.11212	22.4
184.07332	8.1
192.43257	2.1
197.22578	2.5
213.05505	2.1
221.13901	3.9
221.21808	2.0
241.25301	4.1
261.15106	2.0
285.27887	5.9
329.30380	4.6
333.85059	2.3
337.80719	2.4
345.45749	2.5
426.91486	2.2
433.51501	2.7
476.15991	2.7
763.43976	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	805.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44593	8.1
66.44751	7.2
66.95661	9.2
66.98668	7.6
70.06571	9.4
86.06080	18.8
87.53024	9.3
94.06580	9.0
108.08112	14.6
114.87649	10.3
119.16140	10.5
120.04391	10.8
130.05023	11.9
133.07591	14.6
134.08420	36.5
135.09177	22.1
147.09161	100.0
149.10757	20.6
163.08543	10.9
171.09227	13.5
172.03972	46.0
173.10762	17.9
188.57220	10.2
202.90402	10.6
204.06587	67.5
212.11430	11.9
215.11794	17.8
243.11166	11.6
256.71167	11.5
262.11847	21.8
264.13330	18.7
276.13425	11.3
290.44193	11.5
303.13303	13.7
306.12604	19.7
338.14914	14.9
345.11044	11.5
384.13696	12.2
386.14923	15.3
415.15100	26.9
433.16397	12.1
438.14355	10.8
453.17865	15.7
467.19055	35.8
492.17258	14.9
560.90234	12.6
626.25818	11.2
755.29596	35.4
773.31097	12.1
787.32837	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	806.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82804	6.7
70.06577	44.4
75.97717	8.1
84.08121	10.6
85.02908	11.1
86.09702	9.6
86.37648	6.2
90.95015	7.2
108.08138	12.5
118.06587	7.3
119.44872	7.1
120.08138	7.4
122.09695	8.2
127.54938	6.8
133.07623	13.9
144.45509	6.9
147.09169	100.0
158.38695	7.2
159.09166	16.0
161.10783	15.0
172.03917	23.7
173.10744	18.0
173.76955	7.7
176.07135	9.0
187.12306	10.0
192.08974	14.3
201.10304	10.5
204.06560	32.4
215.11760	12.2
219.11320	31.1
233.12834	28.9
234.27672	7.6
263.10333	27.5
264.11041	17.2
265.11877	17.0
267.02945	9.2
277.12036	23.5
414.14682	9.5
436.14828	22.5
456.15314	12.1
468.17508	14.1
474.17191	9.7
486.20676	9.4
674.29156	10.9
694.28198	30.0
712.30103	17.9
738.27191	14.2
756.29163	36.5
774.29199	26.9
788.30829	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	806.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28579	21.7
70.06585	100.0
73.10895	24.2
75.95165	22.2
84.08115	27.3
91.71015	51.5
91.71597	51.2
114.02451	23.7
163.08687	56.3
172.03825	25.3
186.92386	30.4
188.66151	26.5
204.06522	50.8
228.24673	28.5
378.99646	30.8
395.26346	29.5
425.53040	28.1
468.21887	30.5
600.99414	30.4
690.36371	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	806.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28579	21.7
70.06585	100.0
73.10895	24.2
75.95165	22.2
84.08115	27.3
91.71015	51.5
91.71597	51.2
114.02451	23.7
163.08687	56.3
172.03825	25.3
186.92386	30.4
188.66151	26.5
204.06522	50.8
228.24673	28.5
378.99646	30.8
395.26346	29.5
425.53040	28.1
468.21887	30.5
600.99414	30.4
690.36371	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	806.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22820	3.9
58.76218	4.3
65.90639	6.6
67.66051	4.2
80.74129	5.1
81.07016	5.2
82.12521	5.1
86.09676	5.3
88.18320	5.0
143.64473	5.0
184.07306	9.1
270.85602	6.4
276.25308	6.6
320.06342	6.3
400.91486	6.4
422.66666	7.5
703.48785	8.4
719.48431	100.0
744.85016	8.1
747.47522	16.8
797.96204	7.3
806.55292	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	806.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61136	1.6
60.08159	10.6
71.07362	3.7
86.09700	53.4
98.98425	2.7
104.10703	2.4
124.99991	26.2
128.30545	2.0
184.07318	100.0
237.97098	2.2
319.20694	2.5
426.24493	2.7
437.25937	2.4
553.82501	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	807.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80875	4.9
61.20194	4.9
70.06586	7.3
72.04504	6.0
84.04468	6.9
91.52987	6.9
94.06551	15.5
106.06573	5.7
108.08114	13.2
118.06527	8.6
120.04469	8.7
120.08112	17.5
122.05962	7.2
122.09721	9.3
130.06511	6.2
132.08136	6.6
133.07634	17.7
136.07596	17.0
144.04443	6.0
145.07542	38.9
146.06004	24.2
146.08423	6.7
147.09171	25.1
148.07591	13.1
149.07133	9.2
150.05550	6.2
151.08687	6.3
157.07629	15.8
159.09187	20.0
160.07584	9.6
161.07147	17.7
161.10809	9.5
162.05603	13.0
163.08675	23.4
167.11650	6.7
172.03923	76.3
175.08629	31.9
176.07057	11.8
177.10222	11.4
185.07027	8.2
187.08659	21.0
189.10243	15.8
190.04974	13.9
190.09802	18.4
193.80226	6.3
199.08673	10.6
203.08205	21.8
204.06551	100.0
204.11102	6.7
213.10146	8.8
215.08124	6.7
217.05931	12.5
217.09761	20.5
220.10825	15.2
222.12315	10.5
225.10248	6.3
234.08711	16.7
234.12422	22.6
239.11662	6.7
243.11371	9.3
248.10025	11.0
249.10307	6.8
251.11810	7.9
264.09705	9.8
265.10223	14.3
266.11267	24.4
277.09689	10.3
278.11438	19.3
285.12494	9.6
287.10349	8.6
289.25311	7.0
289.39899	7.3
295.10828	9.5
303.13342	12.6
306.12299	9.0
307.10794	10.6
309.12482	9.7
316.10764	7.1
318.16025	8.4
339.13791	7.5
348.13565	9.9
358.15598	8.6
386.14993	14.1
393.15686	19.4
415.15445	12.4
437.14420	61.1
455.15762	8.8
456.15613	11.0
469.17310	38.2
474.15976	9.5
506.19070	7.4
524.20209	8.4
609.23303	14.8
625.22662	14.3
691.58759	7.5
695.28015	13.1
713.28381	10.2
739.27002	25.7
756.32672	8.1
757.28302	47.3
771.29993	12.7
789.30463	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	807.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06582	100.0
74.06074	18.6
94.06566	26.8
103.31478	19.8
109.21053	20.1
122.06038	22.9
129.96736	22.6
133.07584	24.4
134.06029	20.9
137.49966	22.8
141.10271	25.1
146.06073	30.7
157.10669	21.9
162.82893	24.7
163.08875	22.2
172.03958	75.6
173.10687	21.5
175.08699	23.6
175.37386	21.3
191.11813	24.8
204.06577	96.8
211.59863	25.3
441.10129	29.1
574.81110	25.6
702.33350	25.8
739.28015	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	807.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22635	3.1
84.04483	5.9
86.06063	26.0
88.12186	3.5
106.06548	8.2
108.08090	6.5
114.07533	3.7
120.08103	12.2
122.09673	5.2
130.05028	19.5
132.06868	8.4
132.08084	6.0
133.07625	12.6
134.08389	15.7
135.09195	9.9
136.07613	12.0
145.07652	7.1
146.06004	9.4
147.09158	100.0
149.10747	17.7
152.07095	4.8
159.09193	18.1
160.10011	6.8
161.10721	17.8
164.07079	13.6
166.08690	10.9
170.09677	4.5
172.03886	21.4
173.10786	17.5
174.11627	4.7
175.12410	7.7
176.07011	7.3
185.10753	4.6
187.08672	4.9
187.12334	9.7
192.09003	6.3
201.10219	11.1
204.06511	38.1
215.11859	12.3
218.12944	15.9
232.14413	8.9
237.10120	6.0
239.11700	5.7
240.64404	4.9
249.10492	6.3
251.11995	6.5
259.10858	6.8
262.11810	15.0
263.11850	23.0
264.13412	8.7
265.09491	4.2
276.13434	38.7
279.11191	21.5
281.12842	8.4
291.11261	8.0
293.12762	10.0
297.12238	11.7
309.12231	45.4
311.13959	11.2
321.12213	6.2
337.11661	22.1
339.13300	17.1
369.14432	65.8
371.15924	9.7
435.16623	6.3
453.17389	7.3
467.19016	6.6
494.19299	6.6
572.43781	5.1
599.34528	4.8
618.11444	5.0
632.26807	8.7
660.29980	7.0
757.31317	17.0
775.32422	12.3
789.34167	42.0
807.35248	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	808.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44888	5.4
70.06574	10.7
70.65479	5.6
72.08153	5.9
84.08147	6.8
85.02899	14.3
98.17985	7.0
102.97881	5.1
108.08120	7.2
112.76882	7.9
120.08080	12.4
132.39409	7.1
134.09654	8.4
135.09178	8.1
136.07518	10.6
145.07588	10.9
146.05984	9.2
146.08304	5.9
147.09171	84.9
148.07571	15.7
152.07069	8.5
159.09178	18.9
160.10005	10.7
161.10750	11.5
164.07086	13.4
166.08632	29.3
172.03857	31.0
173.10747	13.4
190.04907	7.6
192.08897	7.9
204.06534	19.1
206.65675	7.6
215.11761	17.6
219.11313	19.8
230.15234	6.3
233.12799	29.7
245.46201	6.9
246.66991	6.7
248.09460	7.2
263.10254	24.7
263.12164	12.0
267.11505	8.1
269.12646	7.8
271.14267	8.2
277.11847	100.0
279.11395	18.8
280.12042	7.6
281.13110	7.2
291.11261	9.4
293.12973	16.8
297.12341	12.1
309.12415	31.0
311.13864	17.1
330.51587	7.7
337.11844	27.1
339.13467	12.3
369.14301	50.2
454.16046	12.5
494.19119	14.7
495.47748	8.6
758.30438	45.2
776.31354	34.6
783.47076	9.5
790.32166	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	808.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69836	9.4
70.06576	36.1
72.08137	9.4
73.83993	10.4
76.62733	9.7
84.08105	15.8
84.23307	10.5
86.09682	20.9
88.79126	11.6
91.94723	12.7
108.08128	13.6
118.06522	18.1
120.08129	22.2
132.06834	14.6
133.07652	13.9
136.07596	16.1
145.07596	32.6
146.06003	14.5
147.09140	15.5
148.07518	16.8
163.08675	57.9
164.07109	24.6
166.08641	19.2
172.03981	28.9
174.05641	14.4
203.15375	15.4
204.06544	52.5
208.08347	24.7
219.14882	17.1
221.09172	13.5
233.16441	28.0
247.14354	16.3
259.14404	16.0
263.11725	26.7
264.12540	13.2
277.15500	100.0
279.11353	25.1
302.63153	13.6
309.12241	48.5
337.11761	34.1
369.14554	60.5
369.84952	15.9
371.62619	13.0
468.21393	14.7
684.60571	15.9
758.33582	59.7
790.36237	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69836	9.4
70.06576	36.1
72.08137	9.4
73.83993	10.4
76.62733	9.7
84.08105	15.8
84.23307	10.5
86.09682	20.9
88.79126	11.6
91.94723	12.7
108.08128	13.6
118.06522	18.1
120.08129	22.2
132.06834	14.6
133.07652	13.9
136.07596	16.1
145.07596	32.6
146.06003	14.5
147.09140	15.5
148.07518	16.8
163.08675	57.9
164.07109	24.6
166.08641	19.2
172.03981	28.9
174.05641	14.4
203.15375	15.4
204.06544	52.5
208.08347	24.7
219.14882	17.1
221.09172	13.5
233.16441	28.0
247.14354	16.3
259.14404	16.0
263.11725	26.7
264.12540	13.2
277.15500	100.0
279.11353	25.1
302.63153	13.6
309.12241	48.5
337.11761	34.1
369.14554	60.5
369.84952	15.9
371.62619	13.0
468.21393	14.7
684.60571	15.9
758.33582	59.7
790.36237	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60297	3.0
60.08154	7.4
84.95173	3.4
86.09701	41.5
89.84390	2.5
96.31100	2.6
125.00001	20.8
165.46803	3.1
184.07332	100.0
184.08865	5.3
213.75331	3.3
220.75259	3.0
296.29556	3.1
298.88443	3.4
333.37161	3.4
676.93652	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	808.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90310	3.6
64.33677	3.1
66.16278	3.8
67.05498	20.8
67.91330	3.7
69.07050	8.8
79.05484	16.1
81.07054	35.2
86.09702	11.2
91.05470	30.7
93.07047	16.8
95.04963	4.5
95.08591	12.6
97.06516	4.0
105.07021	13.4
107.08617	7.2
109.06498	10.9
111.04419	20.7
117.07047	7.8
119.08536	9.3
121.10139	5.0
125.00013	4.3
125.06055	6.3
131.08571	12.3
133.10136	4.5
135.11688	4.9
137.05965	100.0
137.06940	6.5
145.10107	4.4
147.11696	11.0
157.10283	4.2
161.09601	5.9
184.07329	30.3
201.89671	3.7
203.18063	4.6
213.16336	5.6
231.17404	6.6
277.18045	27.5
291.46405	4.0
295.19043	12.0
351.21588	5.1
381.43033	4.6
625.77106	5.2
635.42657	32.8
667.45557	25.1
728.20880	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	809.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70914	7.1
59.82437	6.4
68.02506	6.8
72.04509	9.5
78.18451	8.5
84.51041	7.8
92.12444	8.5
94.06557	8.9
106.06574	19.2
116.09380	9.6
118.06560	13.9
120.08041	11.9
122.06142	9.9
133.07616	24.5
135.09203	11.6
136.07588	21.5
144.04488	10.4
145.07596	61.7
146.06032	13.3
146.08417	15.9
147.09157	29.5
148.07578	21.4
150.09061	13.4
151.16379	8.7
152.07074	15.8
157.07674	17.8
159.09186	28.1
160.07628	9.5
163.08716	36.7
164.07082	22.5
166.08655	36.6
172.03926	69.2
173.07158	13.7
175.08575	45.6
176.07013	11.3
177.10191	17.2
185.07126	10.5
187.08638	53.3
189.10242	26.4
190.09653	13.1
194.24559	8.9
203.08263	14.7
204.06590	94.3
204.11383	18.9
215.06064	8.4
215.08189	23.9
217.06006	9.2
217.09659	50.4
219.28207	8.5
220.10953	13.8
221.09085	14.9
221.11411	8.3
232.10991	11.0
234.08784	20.8
234.12358	41.9
237.10268	16.5
248.10249	29.1
249.10196	24.9
251.11858	14.6
263.11853	39.4
264.09634	16.9
265.10233	11.5
265.13220	11.1
266.10730	17.3
278.11240	78.1
279.11203	44.0
281.12717	19.0
291.11349	18.5
293.12811	21.1
297.12387	17.6
307.10550	11.0
309.12314	62.4
319.11002	15.4
325.11707	15.1
337.11954	45.7
339.13559	21.2
369.14468	100.0
437.14536	30.1
469.17145	13.6
504.21353	10.3
548.36804	10.3
590.26044	10.8
602.22058	19.4
634.25177	18.6
659.26105	10.2
715.31055	25.6
759.29956	82.0
773.31274	10.7
791.32422	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	809.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43806	6.6
58.76675	5.7
59.26469	6.6
71.43394	6.7
87.52061	6.9
91.70961	14.6
95.93154	8.9
147.71248	7.8
178.84900	8.4
184.07330	8.9
214.12566	9.3
472.45120	8.8
603.17371	9.7
722.50433	14.2
809.45471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76810	3.1
67.05492	17.6
69.07058	9.6
77.82762	3.8
79.05489	14.3
81.07049	45.7
83.05007	3.7
84.93638	3.7
86.09703	7.4
91.05476	32.6
93.07042	15.0
93.10126	3.8
95.08618	14.2
95.70023	3.9
105.07046	9.7
107.08609	4.1
107.56452	3.7
109.06529	12.1
111.04443	16.0
113.61202	3.8
115.14304	3.9
117.07010	5.5
119.08588	14.2
121.10210	4.4
121.42490	4.3
125.05985	8.3
133.10144	8.6
135.11658	3.7
137.05978	100.0
147.11603	6.6
149.09584	4.8
151.07574	6.4
161.09624	5.5
179.51125	4.1
184.07526	4.5
197.17050	4.0
203.17943	6.3
206.93880	4.0
231.17462	5.9
277.17932	23.5
295.19034	15.0
319.90164	4.7
351.21564	7.3
492.24667	5.0
637.44513	43.2
663.93896	6.0
669.47369	20.4
844.71680	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	810.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	31.5
63.82802	15.6
64.43068	13.9
67.05489	64.6
69.07064	44.6
79.05486	62.4
81.03397	26.2
81.07045	100.0
83.08591	18.5
88.33361	16.5
91.05467	57.5
92.20640	18.4
93.07037	59.8
95.08614	49.6
97.06510	44.1
105.07001	18.1
107.08611	45.6
109.06479	23.6
117.06985	16.6
119.08601	18.5
121.06461	21.1
121.10132	21.0
122.41509	17.4
122.94522	19.3
125.05959	23.6
127.72468	17.0
135.08040	19.2
147.08061	17.4
148.99123	17.1
177.09062	25.7
184.07318	26.9
205.12184	26.9
232.00475	18.4
248.45825	22.0
255.29083	18.8
261.14624	33.7
279.16086	28.6
286.17365	24.0
335.25821	57.5
532.48462	20.8
682.75049	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	810.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	36.9
61.49663	11.2
61.95552	11.2
67.05502	91.4
67.25141	11.0
69.03396	12.0
69.07051	18.7
71.04972	13.3
79.05477	65.5
79.34219	10.7
80.55751	11.1
81.03400	12.7
81.07041	86.2
82.71852	13.5
83.08630	15.0
91.05475	48.1
91.71037	31.1
93.07033	100.0
95.04959	29.9
95.08591	38.0
97.06535	33.8
105.07036	31.3
107.04955	20.0
107.08575	37.0
109.06520	28.5
109.10180	20.1
117.07043	18.6
119.08569	22.9
121.06527	36.8
121.10133	22.8
123.08097	15.3
125.63410	12.5
129.07037	14.9
131.08630	15.0
133.10167	18.2
135.11725	18.0
138.11691	12.5
145.10080	20.0
147.11700	17.9
149.09572	19.4
159.08035	19.0
162.57954	13.7
184.07339	24.0
186.70241	13.7
188.33975	15.3
211.99387	14.5
214.34007	13.5
233.15327	23.7
289.18088	31.4
307.22552	98.2
322.74722	14.9
363.22018	17.2
740.33679	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	810.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	16.4
58.34341	8.8
67.05495	75.2
69.07060	20.7
79.05483	48.1
81.07054	77.2
83.08617	15.7
91.05478	36.4
91.30108	10.1
93.07031	66.3
95.04950	15.0
95.08595	30.3
95.50578	12.0
105.07048	33.9
109.06547	26.3
110.57764	11.8
113.24306	10.6
115.39829	10.2
117.07019	15.8
119.08602	28.5
121.10152	14.7
133.10164	19.7
145.44846	12.3
275.20166	14.4
285.04010	12.6
307.22604	100.0
312.40985	11.6
380.12225	14.2
381.26175	19.9
581.41974	45.8
824.71851	18.3
827.62769	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	811.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93902	26.0
73.98646	27.8
101.27457	29.2
126.56181	29.6
130.84071	26.1
148.59042	30.3
179.59161	25.1
181.14232	32.3
233.27420	31.0
241.68030	28.1
253.67220	29.4
261.87653	29.8
356.34613	31.8
366.12732	33.8
811.47186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18426	21.5
71.15730	24.2
78.11062	25.4
79.21831	21.6
80.27551	26.8
90.74637	25.1
96.08109	25.0
103.88803	29.2
105.27041	26.8
184.07504	40.1
194.61107	27.3
811.47595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05484	64.9
91.71689	100.0
111.31219	49.0
118.22329	61.1
126.21169	53.5
160.26421	49.6
164.83594	50.3
198.15051	50.3
295.74368	63.8
473.09024	61.5
794.33539	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	9.8
91.05448	12.7
93.07041	14.9
94.06567	8.2
107.04966	14.4
119.06065	34.3
120.05707	9.7
121.06488	100.0
127.25941	8.5
133.07623	16.5
145.07558	12.5
146.06024	11.0
150.07898	17.5
151.08667	22.8
163.08693	9.5
163.17432	7.7
172.03940	30.4
176.07056	15.0
177.10226	10.3
204.06612	29.2
205.27414	7.9
239.11850	31.6
270.13589	34.4
271.14233	18.9
283.14471	35.0
323.10376	9.8
362.15216	10.2
415.15289	17.6
442.17563	27.2
474.20526	14.4
762.30975	25.8
794.33899	58.0
812.34595	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	812.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	14.4
57.07059	3.7
65.03938	6.0
67.05492	70.6
69.07050	25.2
71.04953	3.4
77.46225	3.5
79.05482	55.1
81.03416	8.7
81.07044	100.0
83.04963	11.2
83.08613	21.7
85.02889	5.5
85.64129	4.1
91.05466	40.1
93.07036	73.2
95.04952	20.5
95.08600	46.0
97.06511	7.5
97.10149	19.4
105.06997	30.5
107.04966	6.5
107.08585	33.8
109.06476	8.5
109.10149	24.9
111.04430	8.8
111.08080	7.3
117.07028	15.3
119.08578	34.9
121.10128	35.0
123.08059	10.5
123.11723	5.2
125.09646	18.0
129.07002	6.5
131.08513	18.6
133.06482	4.5
133.10124	17.4
135.08081	6.2
135.11736	11.7
137.09579	8.3
143.08565	9.1
145.10114	17.2
147.08038	10.3
147.11687	9.0
153.12708	4.7
157.10106	5.5
159.11670	5.9
163.11154	10.9
165.09131	4.7
172.79578	3.8
181.12166	4.2
189.11172	8.8
191.10760	4.7
193.22305	4.0
227.12898	10.4
273.18512	16.9
291.19492	36.4
307.22595	70.8
347.22272	5.3
365.23123	15.2
382.91074	4.5
383.24173	10.8
597.41571	21.8
615.42657	20.3
736.68268	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	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	9.4
70.03328	2.9
71.07367	6.5
80.95633	3.2
82.48986	2.9
86.09698	41.0
89.54395	2.9
91.40728	3.5
98.98486	3.4
104.10743	3.7
112.15496	2.7
125.00007	20.6
138.99158	3.4
184.07336	100.0
184.08936	6.1
236.15001	4.0
245.09789	3.1
302.97458	3.8
401.06873	3.7
425.32108	3.8
816.14441	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	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08143	8.4
71.07362	3.0
86.09696	40.3
98.98428	3.0
103.75818	1.8
104.10738	4.1
125.00006	25.6
125.79465	1.9
184.07333	100.0
188.72891	2.0
217.90109	2.6
296.48831	2.1
310.86450	2.1
316.78262	1.9
321.67868	2.0
375.85773	2.3
392.26212	2.1
630.05420	2.7
691.15070	2.5
793.72064	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	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41228	2.8
60.08148	9.0
61.54794	2.9
71.07359	3.8
86.09694	44.8
102.36607	3.0
104.10752	4.2
124.99975	20.3
125.76534	3.4
184.07336	100.0
317.19012	3.7
602.98224	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	813.4909
Annotation	Glabrin C
Peak:m/z	Relative Intensity
90.58331	9.7
93.51688	9.6
97.16842	8.0
102.73820	8.8
162.71591	12.2
223.09647	10.4
226.98923	9.8
256.09570	12.1
322.27063	10.4
587.94250	11.1
732.83936	12.4
735.13257	12.0
813.49005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	39.9
70.63579	5.6
94.06555	13.0
102.14024	5.6
106.06537	8.4
110.91351	6.0
117.43013	5.7
122.06032	13.4
127.49873	5.7
134.06035	21.8
136.07602	17.2
138.03673	6.0
146.05991	19.8
164.07085	20.6
169.09682	8.9
170.67242	6.8
172.03955	15.7
190.05016	11.2
204.06551	21.8
233.37903	6.6
251.11746	7.7
285.12347	13.7
297.12329	7.7
303.13309	24.0
323.10297	18.2
337.11801	8.0
355.12689	8.4
415.14771	7.7
607.17938	12.8
625.20020	100.0
626.19604	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	814.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05476	5.3
93.07049	10.8
95.04993	4.1
103.05452	7.5
106.06484	3.7
107.04948	15.2
108.08167	6.9
110.17693	3.2
118.06512	4.4
119.06087	19.2
120.05705	6.2
120.06872	3.7
121.06496	100.0
121.07410	5.4
133.07646	12.2
135.09142	4.2
136.07541	12.8
145.07642	17.9
146.05991	7.9
147.09190	7.9
148.07581	10.0
149.07127	5.3
150.07892	7.6
151.08629	15.0
152.07039	6.1
162.05507	12.0
163.08641	24.6
164.07057	9.7
166.08633	9.9
172.03963	11.2
177.10214	21.5
204.06593	17.2
223.12405	3.7
225.10081	3.6
235.12224	5.6
239.11836	25.8
241.09679	4.7
249.10324	4.7
250.10997	6.0
251.11783	6.7
253.13344	18.9
263.11780	15.4
265.13306	9.8
269.12839	12.1
270.13593	21.6
271.14407	13.8
279.11252	16.4
281.12878	8.3
283.14389	97.3
284.14719	4.7
291.11127	5.8
293.12997	7.5
297.12146	5.5
301.15427	7.0
309.12415	32.8
311.13919	6.4
337.11841	17.1
337.24097	4.7
339.13531	9.7
369.14465	62.3
371.15903	6.2
404.77307	4.2
442.17593	8.9
474.20322	8.5
607.25140	5.1
639.28149	6.1
692.32733	3.8
764.32874	18.1
765.31873	5.6
782.33514	15.1
796.35773	32.1
814.35754	13.6
825.21393	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	814.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29030	3.3
70.06557	4.7
77.48379	4.6
86.09681	3.7
91.05453	26.0
96.30137	3.7
104.41006	3.6
108.08094	6.2
119.04949	11.8
119.06043	11.4
120.08085	6.1
123.04391	6.0
132.06804	22.2
133.07593	16.6
134.08383	18.4
134.09621	4.0
135.09169	57.8
136.05214	21.5
136.07579	13.0
137.05966	58.7
145.07661	6.5
146.08405	11.5
147.09169	59.8
148.07567	4.6
148.92783	4.4
149.52580	4.6
159.09160	26.3
160.09932	18.8
161.10719	97.1
164.07030	27.3
166.08653	12.2
172.03926	11.8
195.24083	4.3
204.06609	14.3
223.77592	4.4
248.09274	5.7
250.11192	4.6
251.11699	5.6
263.11746	26.6
265.09589	6.0
265.13260	9.8
269.12747	29.9
270.13580	38.9
271.14288	19.7
279.11246	25.7
280.12100	4.7
281.12723	8.5
282.13675	7.7
283.11234	4.1
283.14343	100.0
284.15128	5.1
291.11261	8.9
293.12900	9.2
296.11594	5.6
297.12488	8.7
301.15555	7.7
309.12265	47.9
311.14005	14.0
321.12222	8.0
337.11795	24.7
339.13339	18.2
339.17087	5.4
349.82147	5.7
355.12854	5.6
369.14441	76.9
370.15128	6.0
371.15897	7.9
442.17868	5.2
474.20667	9.8
494.19565	6.7
764.32117	16.9
782.33740	30.6
783.33899	5.8
796.35693	33.0
814.36139	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	23.8
60.03443	13.1
67.05494	97.1
69.07053	12.3
73.42744	12.8
74.32326	12.9
79.05482	57.5
81.07045	100.0
83.08601	17.6
89.24708	14.3
90.13211	14.0
91.05478	51.8
93.07040	98.2
93.54358	12.9
94.40387	14.5
95.08587	38.1
105.07032	30.3
106.47578	16.5
107.08610	29.1
108.35500	13.3
109.10145	30.8
119.08558	30.3
121.10181	38.7
131.08594	19.9
133.10165	30.2
135.11702	17.8
184.18381	17.5
199.40446	18.6
307.22665	85.5
348.63583	18.5
501.35727	30.1
541.38873	29.6
596.58411	18.2
847.32355	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	815.1511
Annotation	Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide
Peak:m/z	Relative Intensity
56.92619	1.3
68.26691	1.7
74.98872	2.3
108.41460	2.0
118.06850	1.7
119.03493	1.8
166.98448	2.0
287.05460	100.0
373.79614	2.0
384.69507	2.1
463.08698	17.3
535.65924	2.3
639.11359	7.8
701.36261	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	815.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17972	9.2
65.07913	10.5
69.03362	12.0
74.40775	11.3
79.05489	13.7
80.06804	10.5
81.07051	14.5
81.36456	10.7
97.02885	16.6
192.62006	13.2
289.09418	14.5
390.05478	14.3
556.17181	17.4
639.07477	15.8
764.07312	16.4
815.45154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.4
61.02907	10.9
66.06171	5.5
67.05492	17.9
69.03423	15.0
71.30076	6.6
73.02901	7.8
79.05467	9.6
80.21294	5.6
81.07042	21.3
85.02908	21.7
91.03960	12.8
91.05494	7.3
93.07039	16.4
97.02898	7.4
119.36697	6.9
125.49374	6.2
128.40929	7.6
152.05673	7.7
184.07315	9.3
210.51039	9.3
597.18976	9.7
815.45410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	10.9
67.05496	14.1
69.03419	7.9
71.04993	4.7
79.05465	9.6
81.07043	14.5
85.02892	11.4
91.03974	7.7
91.05499	6.3
93.07037	9.8
95.08633	5.9
95.48634	4.0
97.02910	9.0
170.87996	4.6
347.21915	7.5
484.22324	6.3
491.26117	10.3
658.66846	5.9
815.49121	100.0
816.48785	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	816.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07355	13.2
76.01688	10.6
78.94100	10.4
82.57958	11.4
83.57431	10.1
86.09705	100.0
91.71653	26.9
110.25398	11.4
125.54961	11.9
162.95638	38.1
184.07314	13.0
186.23640	13.9
202.05779	15.1
231.15826	14.4
235.91209	13.6
620.32147	15.5
673.87317	21.9
756.23505	22.2
757.41248	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	816.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	13.3
60.21139	4.3
67.05495	100.0
69.07056	25.0
73.39506	4.5
76.25583	5.1
79.05489	46.0
81.07049	95.8
83.04956	5.9
83.08612	7.4
85.06524	5.5
86.09695	15.6
91.05463	62.6
93.07050	62.6
95.04967	10.0
95.08602	69.3
97.06452	6.6
105.07028	47.0
107.08583	26.7
109.10161	23.5
117.07001	39.2
119.08558	29.6
121.10137	27.1
123.11717	8.5
128.31667	6.4
129.07010	12.4
131.08572	47.8
133.10146	20.3
135.11644	13.7
138.00632	5.1
141.07085	6.5
143.08571	12.5
145.10141	22.0
147.11667	9.1
157.10194	9.6
159.11700	15.9
171.11725	11.2
173.13248	22.7
183.11649	7.7
184.07393	10.5
185.13307	10.8
187.14812	10.6
197.13248	6.7
201.16476	27.3
211.14810	9.1
226.01674	8.5
267.21088	20.9
285.22189	22.8
335.25757	98.6
359.25809	19.2
443.04791	6.4
471.34012	6.5
509.59937	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	816.6401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	35.6
67.05482	4.8
70.69237	5.1
71.08627	28.7
73.06537	6.6
83.08621	7.7
85.10162	12.8
86.09686	19.9
87.04456	16.8
89.06023	100.0
91.05492	7.2
97.10181	7.1
125.00056	4.7
130.08649	24.9
133.08591	54.0
147.67238	6.3
162.95584	6.2
177.11261	18.8
184.07335	32.5
341.34497	7.1
353.39667	7.2
399.53757	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68766	10.6
64.45581	10.3
64.61040	10.2
74.66924	13.7
76.88038	11.0
102.45345	10.8
104.05180	11.4
126.74073	13.0
128.74689	12.5
132.79721	12.1
184.07361	20.9
194.92752	13.7
234.58279	14.2
236.15009	14.4
240.08365	14.0
265.44189	17.2
418.40936	19.4
817.45001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75027	14.4
83.73154	14.1
103.06526	13.6
105.94597	16.0
123.91190	19.0
132.35034	14.6
139.59872	15.5
148.13263	17.0
174.97752	13.7
176.49754	15.5
223.16769	15.7
261.45532	16.4
333.79944	18.3
479.31198	18.3
522.45673	16.9
599.76007	17.6
613.88635	21.1
788.85876	20.4
817.44690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09045	4.4
61.32186	4.3
67.45037	4.8
87.99430	5.0
91.71600	6.6
184.07304	5.0
189.12817	5.7
593.56091	8.1
607.38367	7.1
650.27478	7.5
817.45129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66347	4.5
68.08425	4.6
69.61942	4.9
73.82417	5.0
78.78538	4.9
85.81361	5.6
98.02038	6.5
137.47267	5.7
817.44855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.1
58.75869	5.2
61.02909	10.5
67.05497	15.0
69.03416	8.6
72.21500	7.6
75.92884	6.6
76.74242	6.0
77.33842	7.1
79.05484	13.7
81.03403	7.5
81.07039	13.1
85.02890	16.3
91.71718	16.8
93.07053	11.3
95.08582	13.0
97.02911	10.4
144.10335	8.5
149.59683	7.1
151.37611	7.8
173.55711	7.2
199.21414	8.2
491.25830	9.5
636.94928	9.0
720.00452	9.1
817.47125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83375	15.6
65.75839	16.6
91.71052	26.4
92.40814	19.9
93.06985	20.2
148.82202	17.2
255.68546	22.0
342.77505	23.1
630.70013	22.0
817.46692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.1
61.02923	9.5
62.59538	2.4
67.05492	12.5
68.26459	2.4
69.03430	4.7
69.07059	4.2
73.02913	2.7
77.18436	2.5
79.05491	4.8
81.03426	4.3
81.07056	12.4
85.02914	9.2
91.03946	4.7
91.05470	6.3
93.07047	9.5
95.08615	6.6
97.02907	9.9
97.10188	2.6
99.04466	2.9
100.61054	2.6
105.07046	3.7
107.08627	3.3
109.02866	2.8
119.08555	3.4
121.10151	3.7
131.08643	3.3
133.10168	2.9
135.11728	4.7
147.11800	3.5
166.07561	2.6
186.00005	3.0
268.43015	3.3
343.82416	3.0
349.19983	5.5
461.08673	3.2
462.15842	3.1
491.26358	8.5
493.21378	4.1
499.20792	3.5
817.47125	100.0
818.47644	4.7
822.40570	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	818.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57962	7.9
66.70667	7.3
71.07355	16.8
86.09700	100.0
88.22076	6.7
110.96727	8.9
124.32569	8.0
124.99908	8.7
144.90750	8.0
146.98132	19.2
148.95148	8.5
155.11308	8.2
184.07349	31.8
211.55028	10.0
265.23776	8.4
469.34512	10.0
606.45374	11.2
635.46552	35.8
636.89984	10.8
759.45563	45.0
775.23828	11.3
793.67749	10.1
818.52826	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	819.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02877	15.0
79.02209	12.0
79.05512	15.0
91.05489	13.7
148.09460	12.2
194.27002	16.7
491.26160	22.1
671.15491	16.8
785.45227	15.8
819.48407	100.0
838.55334	16.9
845.83612	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	820.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	6.8
67.24130	1.8
71.07352	5.5
86.09692	43.4
97.64749	2.2
104.10738	2.2
125.00002	25.3
169.19693	2.0
175.30473	2.2
184.07339	100.0
216.79964	2.1
549.67139	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	820.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	2.8
65.11803	2.0
67.05468	2.7
69.17479	2.4
72.08150	4.4
74.06078	13.3
74.09708	100.0
83.22899	2.1
86.09696	10.5
86.94718	2.1
91.71679	5.5
97.87840	2.3
103.89680	2.2
124.99995	3.3
150.09955	2.8
153.29245	2.6
184.07339	20.6
252.90672	2.9
448.96979	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	820.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	42.8
57.07322	4.5
57.70879	3.7
58.06604	4.8
69.07058	6.1
71.08623	32.5
73.02918	4.2
73.06557	7.2
74.80309	4.1
85.10207	16.8
86.09722	17.8
87.04481	12.8
89.06026	100.0
104.10778	3.8
112.50035	3.9
117.09187	12.5
125.00027	5.7
130.08620	24.3
133.08591	52.8
177.11224	20.4
184.07315	35.9
189.00937	4.6
257.24658	5.6
326.02747	5.1
528.17725	5.0
642.39532	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	821.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
78.08298	51.9
84.77565	59.4
88.69359	56.9
153.61948	60.1
159.63925	65.5
204.06435	100.0
219.51221	75.7
228.14221	62.8
252.77380	70.7
275.47745	67.2
535.82623	71.8
603.17377	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90047	7.0
61.02922	10.4
63.79611	6.4
67.05497	12.6
69.03452	10.7
73.02921	9.7
81.07088	12.9
85.02888	15.7
86.09715	15.0
91.05475	16.0
93.07045	10.7
95.08633	11.2
97.02940	14.5
186.50627	8.7
217.99071	8.8
350.20685	11.5
821.51453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38225	24.9
63.01315	26.9
70.06593	69.2
108.08146	44.6
126.47298	32.6
135.09256	46.9
149.07089	43.3
163.08585	82.6
164.07224	37.5
172.03918	100.0
204.06566	93.2
231.11314	35.0
307.03336	43.7
511.05865	37.8
772.27881	66.8
822.09210	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50547	18.6
70.06586	27.2
73.53941	16.6
90.41692	19.1
91.71122	60.5
136.07562	23.5
147.09138	100.0
157.88593	21.6
172.03992	20.5
187.85234	22.3
189.52542	27.2
205.13768	24.1
214.98122	24.1
233.12781	22.9
277.11896	35.8
455.16763	27.6
468.17313	52.3
548.19946	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	822.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	7.8
60.70446	2.1
60.96734	1.8
70.28474	1.9
71.07355	6.1
74.90349	2.2
78.32052	2.0
86.09704	41.0
98.44392	2.0
104.10744	4.2
120.18326	2.4
124.99978	21.2
133.57138	2.2
148.53824	2.2
166.02762	3.4
184.07339	100.0
219.35838	2.8
504.50781	3.0
518.68079	3.2
675.38391	2.7
822.49713	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	823.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
74.45571	5.7
84.04501	11.1
84.25229	7.6
85.02864	10.0
86.06052	29.7
91.70971	8.5
94.06520	8.4
106.06538	17.7
108.08085	16.2
118.06546	8.8
118.42147	7.3
118.89301	6.8
119.06039	16.5
120.04507	8.2
120.06738	7.7
120.08115	33.3
122.93298	7.5
123.09171	9.3
124.94328	7.2
130.04997	26.5
132.06862	9.0
133.07599	28.0
135.09149	39.9
136.07573	31.2
145.07556	11.0
146.05989	23.6
147.06682	8.1
147.09102	8.3
148.07559	16.2
149.07100	16.8
151.08623	19.6
152.07050	11.3
159.09219	13.8
161.07100	10.3
162.05533	9.5
163.08649	100.0
164.07080	23.2
165.10239	52.8
166.08585	16.9
172.03949	43.2
175.08693	9.7
189.10287	10.3
190.05031	13.2
190.08730	9.9
199.08675	20.3
204.06589	69.8
217.09721	19.2
229.09738	11.8
231.11253	19.9
239.11783	10.8
245.09238	15.0
248.13866	12.5
249.10306	9.9
251.11707	24.4
262.11728	29.0
263.12021	35.9
264.12387	10.0
265.09607	9.7
278.10770	10.3
279.11389	38.3
285.12500	13.3
292.12994	46.4
293.12714	19.8
295.10712	10.9
296.11401	10.3
297.12335	18.4
303.54678	9.8
305.09280	12.4
309.12262	58.9
311.13748	14.1
321.12363	14.6
328.04193	8.5
337.11725	30.1
339.13412	17.2
369.14365	93.2
403.95547	8.3
472.18701	11.5
483.18811	13.7
581.05139	9.4
629.26056	10.9
644.27197	12.6
676.29584	12.5
756.28473	8.8
773.31567	50.1
791.31995	10.7
805.33392	59.0
809.65405	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	824.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08237	2.6
92.43273	3.0
139.91467	100.0
186.82306	3.1
198.64717	3.2
347.61526	3.8
381.07941	33.4
562.14655	5.0
653.78760	4.0
756.34436	4.2
842.74158	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	824.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22540	5.1
66.11835	5.0
70.06576	7.4
85.02898	16.1
91.71670	7.2
94.06586	7.6
96.08096	6.5
97.58672	5.1
106.06554	17.7
108.08102	9.1
116.05629	7.3
118.06560	12.1
119.06094	8.6
120.08096	35.1
122.06041	8.5
132.06833	18.2
132.08102	8.1
133.07642	18.5
134.06020	8.0
136.07588	28.6
138.09125	10.0
143.21817	6.1
144.04413	10.2
144.08038	7.6
145.07620	18.3
146.06035	24.2
146.08394	7.8
147.09158	10.2
148.07497	35.1
149.07057	7.2
151.08664	6.4
152.07095	12.5
159.09193	16.8
160.07530	8.2
162.05498	9.3
163.08662	55.1
164.07068	26.1
166.08611	40.8
167.08179	7.0
171.09192	8.2
172.03911	41.1
172.07701	7.9
173.10750	10.5
175.08638	8.1
176.07037	11.4
177.10254	9.7
181.66704	7.0
189.10220	13.3
190.04930	11.4
197.10855	7.2
199.08777	9.9
201.10188	31.4
203.11864	14.3
204.06560	41.6
205.09772	16.3
213.10124	8.9
215.08023	7.8
217.09741	24.0
219.11278	21.3
231.11382	20.5
235.10757	23.1
236.11499	9.9
239.11755	17.2
247.10754	10.9
249.08615	17.5
249.12364	67.9
251.06816	10.9
251.11787	22.5
252.12785	6.8
253.13364	13.4
263.09851	10.4
263.11847	27.4
265.09674	10.3
267.11240	9.9
269.12805	7.1
277.09732	11.9
278.10434	9.1
279.09201	6.9
279.11221	33.7
280.10440	14.5
281.12918	22.8
291.11252	10.4
293.11047	100.0
297.12357	24.0
299.13617	9.3
307.10916	8.0
309.12311	63.9
311.13818	24.5
319.10880	8.1
321.12161	8.5
323.10483	9.6
325.11938	7.6
337.11780	49.7
339.13464	18.2
369.14359	50.7
400.14838	8.9
408.16049	7.6
444.19009	8.1
452.14526	26.4
484.16937	8.4
526.21405	7.4
591.23309	12.6
620.17694	9.0
702.80725	8.0
730.29950	15.7
774.29871	91.3
792.30481	37.9
806.31683	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	824.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16769	40.6
90.90361	44.6
136.07582	64.5
140.09001	45.8
157.30313	59.9
163.08595	54.2
164.07036	58.5
164.79204	50.7
166.08676	82.4
172.03909	62.2
191.21867	49.4
204.06677	52.1
249.12311	87.5
279.11298	66.1
293.11356	81.1
337.12012	47.2
369.14529	62.1
542.70056	55.2
774.30206	100.0
840.50427	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88359	4.2
60.08142	5.4
62.79541	4.4
67.05488	19.1
67.84945	4.7
69.99159	4.6
71.07349	14.8
74.04422	4.5
75.19682	4.3
77.20570	4.2
79.05465	15.4
81.07056	12.7
84.15932	5.5
86.09694	100.0
88.32561	5.4
90.82449	4.7
91.05467	22.3
91.71111	6.8
93.07048	15.7
93.55178	6.6
95.08618	11.8
105.06986	6.0
107.08605	6.2
109.76144	5.0
116.62782	4.7
116.77564	4.8
119.08575	7.6
125.00022	9.7
133.10176	5.2
146.98189	39.4
155.87456	5.2
184.07306	59.2
188.00832	6.4
244.42670	6.1
253.11067	5.5
265.11832	5.4
270.09375	5.7
407.22458	5.9
641.45428	55.7
755.23370	7.6
765.43628	17.6
824.51843	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	825.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74471	0.5
65.11820	0.5
66.81162	0.6
66.81510	0.6
68.93125	0.6
70.11417	0.6
77.49740	0.5
96.10212	2.2
116.00214	0.8
140.00163	1.2
142.01736	2.1
160.02792	4.1
165.03297	1.2
171.03230	1.4
178.03831	0.6
181.02800	1.5
182.01253	0.9
183.04408	4.8
189.04250	0.7
201.05576	1.0
206.06004	1.4
224.03497	1.8
239.09499	0.8
247.04980	1.4
248.03488	0.8
252.06670	4.0
252.08931	0.7
266.04614	1.0
270.07666	1.4
275.08191	6.1
275.10458	0.7
285.11798	0.8
289.06427	0.9
291.07898	1.0
301.09705	1.0
302.14203	3.5
303.12549	15.5
303.15958	0.8
316.10880	0.7
319.15942	0.8
320.15353	7.3
321.13705	40.5
322.14154	1.0
326.14258	4.4
328.15778	1.4
338.16251	0.8
339.14761	2.8
342.12585	0.8
342.17746	0.8
343.16910	8.9
344.15302	98.2
345.15506	4.7
346.16782	1.6
362.16196	0.8
367.17026	1.4
368.15186	0.7
369.18613	3.6
370.16852	19.4
385.17850	1.4
386.16342	6.5
388.17926	15.1
409.17938	2.2
411.19510	25.8
412.19791	1.7
414.15833	11.9
429.20465	1.0
432.16931	100.0
433.17291	4.1
450.18069	2.7
455.18500	16.8
473.19565	7.2
713.84924	0.8
807.37152	0.9
825.38416	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	825.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18105	9.8
70.06578	13.1
83.08608	13.8
83.83124	10.5
91.85281	11.0
98.32786	11.3
100.07601	13.0
100.11252	70.8
111.04414	14.4
128.07104	16.2
167.76337	11.0
171.98601	12.4
182.15413	72.4
210.14899	100.0
442.43604	15.2
449.84839	14.6
676.43127	14.5
802.81561	15.8
825.56476	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	826.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	15.7
67.05493	100.0
69.03428	7.6
69.86633	6.7
71.08616	29.1
81.07046	20.0
83.08611	11.0
84.54277	6.9
85.02867	12.1
85.10179	10.9
86.09708	7.8
91.03945	10.7
95.08603	19.4
97.02904	15.4
109.10156	99.5
119.08617	13.5
127.03886	8.2
141.19080	7.4
169.99933	8.2
173.09975	7.9
173.11667	12.6
184.07405	22.5
204.66429	9.6
229.14357	66.5
249.92706	9.4
257.60809	8.1
313.27353	82.4
316.13077	8.3
363.00494	8.5
467.37265	85.8
633.00171	8.7
773.94104	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	826.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	8.8
65.74827	2.4
71.07361	3.1
85.05269	2.4
86.09702	47.7
95.20023	2.6
98.98463	5.3
104.10735	4.6
107.13929	2.4
124.99980	24.4
184.07335	100.0
184.08937	5.8
191.86848	2.8
236.85464	3.3
255.28023	2.7
417.16171	3.2
826.52228	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	826.5379
Annotation	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Peak:m/z	Relative Intensity
60.08161	10.3
71.07360	5.3
74.39183	0.5
79.42730	0.5
86.09702	49.0
87.84660	0.6
98.98459	3.5
103.58016	0.5
104.10741	2.5
121.80862	0.6
125.00000	26.3
132.34860	0.6
166.02625	1.0
184.07339	100.0
185.07623	1.2
271.24060	0.7
486.75357	0.7
669.47168	0.8
826.52960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80676	2.0
60.08167	9.1
64.62589	1.9
66.49590	2.3
70.79780	1.9
71.07388	5.7
78.12035	2.1
82.31325	2.1
86.09699	50.8
86.10188	3.1
98.98490	3.4
125.00002	22.0
129.02028	2.2
132.15405	2.4
142.40680	2.5
167.14935	2.4
184.07347	100.0
191.86642	2.7
394.96692	2.9
463.81235	2.8
500.99493	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	826.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	12.6
65.49648	2.2
71.07364	5.3
86.09698	49.5
86.59309	2.1
98.98459	3.2
104.10744	2.5
124.99995	25.6
165.20763	2.4
184.07327	100.0
209.62816	2.7
298.30273	2.6
596.60913	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	826.595
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08139	8.4
60.90952	2.0
70.83450	1.9
71.07368	4.7
86.09703	47.2
97.16639	2.5
103.06824	2.4
104.10745	4.0
124.99995	23.2
184.07336	100.0
202.16669	2.9
215.79021	3.2
221.60449	2.6
287.01608	3.4
340.49158	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	828.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58445	9.1
67.54301	8.8
68.94584	8.8
70.06616	8.3
71.58521	9.1
91.05466	44.9
94.06567	11.5
96.28141	9.8
102.28532	10.3
103.30486	9.3
108.08086	12.4
111.44730	9.1
117.53297	11.3
119.04928	27.3
119.06069	40.8
120.08044	11.4
123.04461	26.7
133.07605	39.0
136.05159	25.5
136.07634	12.4
137.05965	77.3
137.88632	10.6
144.04395	16.6
145.07639	21.3
146.06017	24.4
148.07553	11.3
150.07877	14.9
151.08655	85.9
159.36981	11.2
162.05437	14.2
163.08711	35.0
172.03899	52.1
176.07124	17.1
177.10204	49.9
190.05002	12.5
204.06570	100.0
221.68959	10.2
255.11246	79.9
257.09140	11.7
269.12875	18.4
285.12344	40.7
286.10129	11.4
286.12997	64.5
287.13812	49.5
299.13968	43.3
303.13528	16.1
346.15637	16.8
415.15201	26.7
433.16098	18.7
456.15170	13.7
458.17029	48.9
490.19354	45.9
492.17493	13.5
778.31641	60.7
793.40784	16.0
810.33240	94.0
828.34229	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26560	24.8
61.11117	25.9
63.76389	23.9
64.89571	31.6
68.72462	28.7
72.12895	31.0
87.04450	63.5
88.77934	28.1
89.06016	90.1
91.71105	81.1
91.71699	68.4
130.08649	41.5
133.08609	100.0
133.96559	36.8
164.07091	48.2
172.03856	54.6
204.06638	46.1
217.66273	34.8
276.63010	39.6
385.68582	39.5
691.28552	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	828.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07905	0.7
60.08158	9.5
71.07365	6.8
78.76348	0.6
86.09699	43.3
86.44117	0.6
91.05434	0.7
94.38754	0.7
98.98454	3.1
104.10706	2.0
124.99999	24.7
141.75282	0.6
150.22195	0.7
181.33061	0.6
184.07335	100.0
185.07573	0.8
249.25983	0.7
334.93753	0.8
363.04349	0.8
679.67853	0.9
828.55414	1.6
861.77191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	18.7
84.08017	15.4
86.09660	21.1
93.07076	18.0
118.48209	16.3
124.99968	26.9
148.99072	16.7
184.07352	40.9
346.21292	18.7
829.50854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92388	37.4
63.03143	42.0
70.06605	47.3
84.08178	54.4
109.98766	39.4
114.84206	44.4
117.07346	37.5
134.45758	37.8
136.07703	60.3
137.06001	75.1
141.68123	41.2
153.91736	48.8
163.05919	55.3
177.10321	70.5
299.13943	100.0
309.12381	89.6
369.14380	89.4
392.28247	49.8
830.35382	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.36
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05502	20.8
106.06553	6.6
119.05003	20.4
119.06112	11.5
120.06863	5.9
120.08155	6.7
123.04461	8.4
128.05602	5.9
132.06892	11.6
133.07649	20.7
136.05208	8.2
136.07639	17.4
137.05980	52.8
145.07695	21.7
146.06061	11.1
146.08463	10.6
146.17287	6.2
148.07652	10.0
151.08690	26.1
152.07085	7.3
159.09274	6.0
162.05525	7.5
163.08745	16.1
164.07059	31.9
166.08722	8.6
172.04001	14.1
177.10228	57.5
177.50316	5.1
204.06657	20.1
237.10251	6.3
255.08980	5.6
255.11224	30.5
263.11850	15.4
265.13431	6.5
269.12952	22.8
279.11371	21.9
281.12943	9.8
285.12491	24.7
286.13223	19.6
287.13791	13.0
293.12900	12.3
297.12167	11.0
299.13901	100.0
309.12302	42.1
311.13861	9.0
337.11908	21.7
339.13406	16.7
369.14432	66.5
371.15991	10.3
458.17291	10.9
490.19406	7.5
780.32233	37.6
798.33191	20.1
812.35327	37.5
830.35968	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	830.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92388	37.4
63.03143	42.0
70.06605	47.3
84.08178	54.4
109.98766	39.4
114.84206	44.4
117.07346	37.5
134.45758	37.8
136.07703	60.3
137.06001	75.1
141.68123	41.2
153.91736	48.8
163.05919	55.3
177.10321	70.5
299.13943	100.0
309.12381	89.6
369.14380	89.4
392.28247	49.8
830.35382	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	41.6
69.07051	33.2
79.05470	30.1
81.07031	57.4
91.05444	38.4
93.07040	34.1
95.04952	16.8
95.08542	18.0
105.07027	23.8
105.32457	17.4
119.08559	34.4
119.36543	19.7
124.62859	18.9
131.08492	24.5
133.10109	27.1
135.08075	18.3
147.11664	23.0
179.14386	28.9
184.07347	29.8
197.27434	20.6
250.58665	19.5
331.26379	27.7
387.28967	65.5
538.67865	23.2
689.51135	100.0
830.54718	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	830.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	7.4
71.07360	7.0
75.26968	2.0
86.09705	45.8
87.48671	2.0
91.71365	10.7
94.63134	2.1
95.14444	2.4
115.07503	2.5
125.00003	22.4
184.07333	100.0
185.51027	2.2
331.57611	2.4
349.04221	2.5
692.87567	2.5
851.24762	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	833.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
90.33499	14.8
110.56231	11.6
140.58035	13.2
172.64958	13.3
174.04836	11.6
175.94560	14.1
184.07361	13.4
246.68542	14.1
248.83842	13.8
339.88535	14.4
350.19534	15.7
382.34265	16.1
444.32510	14.5
455.72668	16.1
496.27472	14.6
603.17273	15.7
611.58209	16.2
686.47772	21.2
764.55609	16.3
833.44775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57042	21.0
61.79195	20.7
68.59264	25.9
70.06546	28.9
91.71231	100.0
91.93801	22.7
99.63100	21.2
122.06068	28.1
126.03057	27.7
147.09290	34.6
159.09210	55.1
204.06665	48.3
231.07698	74.0
251.11818	30.8
291.09634	28.0
305.11411	56.2
363.18365	33.8
369.14523	60.7
477.39087	35.7
756.21613	36.2
818.32147	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	836.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	9.2
60.50705	1.4
63.65358	1.6
64.34713	1.8
65.39012	1.3
66.88393	1.6
69.55338	1.4
71.07366	5.9
86.09699	41.5
91.15984	2.2
98.98479	2.8
104.10711	4.3
125.00008	20.7
177.50343	1.9
184.07338	100.0
241.27068	1.8
354.20142	1.9
548.46747	1.8
683.86835	2.0
836.50488	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	837.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	12.7
68.75746	7.7
104.10735	98.0
131.75827	9.5
205.88626	10.8
214.51802	11.7
281.27966	10.2
758.67505	11.4
837.48926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67233	20.4
63.48282	20.2
65.03382	19.8
71.15720	21.1
297.20535	26.1
309.30054	23.5
412.88867	26.3
600.00116	25.3
684.12592	32.3
837.56494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68515	14.5
60.90449	15.1
70.06567	16.9
79.21100	15.3
79.67911	15.6
90.63029	18.0
94.77565	16.2
108.08105	25.3
120.08073	36.4
133.07645	26.2
135.09149	19.5
136.37550	19.2
143.74777	18.5
144.88800	17.2
145.07539	27.1
149.07117	20.0
161.10832	18.5
162.05510	40.4
163.08653	98.4
164.07043	20.8
172.03937	55.0
175.08672	20.0
175.40462	19.6
201.10220	25.1
204.06575	92.8
235.10710	38.6
249.08536	35.2
249.12393	36.3
279.09860	30.3
280.10654	33.9
293.11255	40.6
294.12222	46.6
441.47897	20.3
452.14319	29.6
471.16321	40.7
484.16992	100.0
667.41217	19.8
788.27472	34.0
807.80762	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	840.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53237	15.4
67.37323	17.6
71.07347	30.5
73.48365	15.6
81.73054	20.2
83.96760	16.3
84.40077	17.5
86.08294	20.5
86.09679	100.0
122.24558	20.4
143.40033	19.8
162.95610	40.6
163.68533	22.8
184.07297	19.9
256.39624	21.4
519.43384	24.9
606.46539	22.1
622.54333	21.7
650.55597	24.0
756.45453	25.7
765.30139	21.8
781.42566	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	840.561
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16852	8.9
67.05494	84.2
69.07077	12.6
79.05483	58.9
81.07058	57.7
83.08650	9.9
83.79940	9.1
86.09708	14.1
91.05479	100.0
93.07049	54.2
95.04934	17.9
95.08617	36.5
103.96599	9.9
105.07034	35.5
107.08582	35.3
113.88680	10.2
115.05481	12.3
117.07008	41.8
119.08586	37.0
121.10117	27.8
127.83652	10.2
129.05492	24.1
129.07051	15.1
131.08569	63.7
131.15366	9.1
133.10118	29.0
135.11774	11.2
145.10138	34.9
159.11713	28.9
171.11838	11.1
173.13333	17.0
185.13248	11.4
187.14798	11.5
201.16420	30.0
227.31102	12.0
267.21060	30.6
345.90906	12.1
359.25763	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	840.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92947	3.7
72.08434	3.9
81.62601	4.2
87.03974	5.4
87.04460	42.7
89.06020	100.0
91.05465	11.3
91.70937	4.0
93.07036	9.0
106.48272	4.8
112.70235	3.9
119.08566	11.6
121.06470	23.1
130.08621	28.6
131.07039	9.0
133.08612	75.0
135.08098	5.1
146.44525	4.0
147.08058	10.8
173.95238	4.4
175.09645	10.4
177.11223	17.7
177.12672	4.5
191.10782	6.5
192.00471	5.0
221.13766	8.0
233.19052	18.9
277.21744	25.1
321.24222	6.0
396.28613	5.0
535.78284	5.4
840.55939	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	841.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07038	2.4
70.06584	100.0
72.08140	5.4
82.83564	2.2
86.09702	9.1
88.03963	6.0
89.55569	2.2
108.47952	2.2
110.73780	2.1
116.07110	4.2
120.78210	2.2
127.08643	2.4
141.10216	3.2
155.08191	7.4
169.13341	11.8
196.06061	4.2
197.12808	3.8
201.12332	11.1
259.60437	2.5
302.13501	26.7
391.58664	3.0
441.19815	6.2
512.27051	3.7
540.26813	5.3
643.71362	2.6
711.11847	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	842.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36907	28.1
78.77352	28.9
91.05491	38.4
110.64790	40.9
118.09048	33.0
132.06873	49.6
145.07672	36.2
172.04036	36.4
195.90746	33.2
204.06499	56.1
267.11298	48.6
279.11438	47.2
281.12646	37.9
309.12344	51.0
311.13962	100.0
325.83246	43.5
369.14481	53.0
450.77304	39.0
571.84949	38.9
587.29230	45.9
647.15826	44.1
792.31708	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17963	10.1
73.03090	13.9
73.03496	12.5
91.05451	48.0
95.10961	12.5
113.15662	13.4
114.88287	12.0
119.06084	18.8
120.08121	22.4
130.06544	16.9
132.06924	14.6
133.07596	24.5
136.07561	22.8
145.07605	27.1
148.07617	16.8
163.08578	16.3
164.06989	19.4
172.03961	31.5
175.08565	14.6
204.06581	48.9
263.11777	30.8
265.13400	14.6
267.11438	22.6
267.14935	33.4
279.11313	22.5
281.12796	21.9
291.11096	16.8
293.12891	24.0
297.12268	23.5
298.13129	22.4
309.12344	51.7
311.13901	100.0
337.11978	20.2
356.41660	15.1
369.14474	64.5
371.16083	19.2
653.26343	14.7
660.96704	14.0
792.32147	32.3
824.33313	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	842.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	11.9
71.07376	6.3
85.83136	1.5
86.09700	58.4
86.10200	3.3
98.98474	4.2
104.10760	4.4
105.33794	1.5
124.99991	29.5
125.00807	2.4
137.14514	2.0
184.07335	100.0
194.60139	1.6
212.81270	1.6
347.25891	5.6
453.21542	2.0
605.11871	1.9
659.52338	2.5
783.51392	5.5
842.58685	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	842.5917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95628	2.1
60.08150	11.4
67.05494	3.0
71.07379	6.5
81.91903	2.9
86.09698	66.3
91.05463	3.1
93.07029	5.4
98.98491	4.9
104.10767	4.8
125.00012	31.6
127.94865	3.1
184.07341	100.0
197.50461	3.2
270.76965	3.9
321.01199	3.2
342.26086	3.4
347.25729	4.6
437.69302	3.3
659.51935	8.0
783.50995	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	844.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29473	13.2
70.06604	15.1
80.66594	15.0
89.16304	15.6
91.71521	85.9
97.09998	19.2
106.06531	28.5
108.08119	34.8
134.06030	54.9
148.15730	18.6
162.05498	44.6
164.07100	30.1
166.08600	24.7
181.10350	18.6
221.81580	20.8
293.09338	24.9
293.23788	21.3
321.08832	30.7
371.13464	21.7
442.14429	20.2
502.15854	57.7
504.17343	38.4
637.23065	100.0
669.25104	21.1
794.29236	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	844.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	7.6
60.73814	1.4
69.87631	1.3
71.07377	5.6
77.26828	1.8
83.60253	1.6
85.73683	1.8
86.09697	48.3
86.10194	2.9
98.98460	2.2
104.10783	3.0
119.79110	1.7
124.99997	23.6
184.07330	100.0
216.08534	2.2
244.55176	2.0
246.59618	2.3
275.22192	1.9
285.18668	1.9
332.74246	2.1
346.93716	2.1
381.15430	2.1
543.76154	2.3
633.88251	2.3
696.92664	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	7.6
70.76360	0.9
71.07359	4.4
78.31308	0.9
86.09698	42.6
98.98466	3.7
104.10721	2.4
124.99995	24.9
166.02586	1.3
184.07335	100.0
188.05925	1.1
248.67781	1.0
262.31558	1.0
355.84622	1.2
564.53699	1.3
844.54492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61446	11.9
62.81818	12.0
68.61147	14.4
79.07361	14.1
80.61564	13.1
83.98081	12.0
86.09686	19.3
89.40866	13.4
91.71611	31.3
122.11105	14.5
124.99986	22.7
125.44044	15.5
130.83922	14.2
184.07292	25.7
217.19159	15.3
225.71649	14.5
328.04630	20.2
515.61487	19.6
539.93311	18.6
665.36469	20.3
696.79364	18.6
845.51465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78063	11.4
64.57519	11.2
70.06575	14.7
73.44207	13.1
81.67944	13.4
83.58729	14.4
83.62276	12.8
84.44044	14.6
111.13348	14.3
111.14330	13.8
134.06056	37.7
136.07608	29.1
148.07628	15.1
164.07086	36.5
218.97440	13.6
224.09219	28.5
225.10173	21.2
226.10986	15.9
238.10983	22.2
241.09569	21.0
283.10519	15.1
284.11484	34.9
285.12268	88.2
297.12433	58.6
448.18738	82.4
466.19452	100.0
621.24585	18.0
814.33252	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	847.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95246	4.6
68.04807	4.9
75.10115	5.1
111.36949	5.7
141.72270	5.7
233.56490	6.6
523.54224	6.7
719.50330	7.9
847.54938	100.0
871.23578	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	848.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88092	3.5
67.05506	19.5
71.07365	15.0
79.05496	16.6
81.07053	6.3
86.09694	100.0
91.05460	36.0
93.07057	7.3
95.04951	5.3
95.08602	8.8
103.73913	3.1
105.07036	14.0
107.08598	5.2
117.07022	5.6
119.08602	4.3
121.05585	3.3
125.00006	3.9
129.06998	3.5
131.08551	9.8
146.98163	40.8
160.51407	3.5
180.28627	3.6
184.07355	4.7
188.00818	5.9
215.97470	3.5
220.51097	3.7
280.72641	3.9
665.45367	68.2
756.27905	5.4
789.44977	20.4
848.51917	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	848.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	24.8
67.89460	8.3
71.07355	23.3
77.24754	7.3
79.05458	16.8
81.07050	16.3
86.09699	100.0
86.92405	9.5
91.05471	41.4
91.71048	10.7
93.07052	13.7
94.23994	8.3
95.04945	10.5
110.08167	7.5
115.90475	9.2
117.07006	9.3
119.08605	9.6
122.67661	7.9
146.98196	58.6
153.64987	7.6
188.00867	9.9
234.65137	9.3
253.04181	9.1
438.31937	11.2
632.79669	10.4
665.45782	71.5
665.55914	14.9
789.44305	30.2
794.73492	10.8
848.51593	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	11.1
66.75983	4.0
67.05498	7.9
68.05010	7.0
69.03405	4.5
70.06580	100.0
71.04963	5.0
79.05492	5.4
81.07040	12.9
83.07345	5.3
83.08607	5.7
85.02885	8.0
91.05478	7.3
91.81667	5.0
93.07053	10.6
97.02885	6.3
101.95785	4.5
121.10158	4.5
134.82941	4.6
136.58968	4.8
236.16588	5.7
254.17470	15.5
297.44958	5.0
306.63950	5.4
467.71384	6.1
488.79953	5.3
560.39374	10.7
686.49377	9.2
848.55280	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	848.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	9.2
60.25422	1.3
71.07368	6.8
85.46075	2.0
86.09698	42.2
98.98459	4.2
107.21291	1.8
124.99989	23.8
184.07335	100.0
189.37534	1.7
258.33832	2.1
300.46466	1.9
351.42261	2.0
485.68445	1.9
611.44635	2.4
769.92279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09194	3.0
66.84941	3.1
71.08626	46.0
73.02893	4.2
73.06550	12.8
76.32070	3.5
76.84090	3.6
78.42847	3.4
83.08593	6.6
83.29671	3.6
85.10188	23.7
87.04478	23.6
89.06028	100.0
91.70979	7.9
97.10176	6.0
117.09107	13.6
125.13288	4.7
130.08617	26.0
133.08607	69.4
133.09540	6.6
136.06743	3.3
136.14429	3.7
138.75784	4.1
139.07784	4.0
161.28932	3.6
167.75694	3.7
177.11223	30.4
184.07303	8.7
190.66472	4.1
275.31232	4.3
285.27887	6.5
317.64059	4.6
363.43692	4.9
372.49045	4.4
387.10617	5.2
396.54837	4.3
724.56354	4.7
757.68793	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	850.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	6.9
65.40921	3.4
68.94611	3.8
70.06583	44.5
73.73759	3.9
80.81028	3.3
86.09666	4.1
88.07623	43.4
101.53201	3.8
102.09161	24.3
103.26976	4.1
111.44550	4.5
121.02867	5.6
136.95914	4.7
137.58115	3.8
139.03807	5.9
149.02345	100.0
149.03433	8.1
184.07428	5.3
193.04953	54.5
194.11028	4.5
210.21367	5.0
237.07634	8.8
256.26312	70.0
260.19531	5.0
347.64944	4.9
372.60422	5.2
374.13516	6.0
385.09177	7.0
537.02954	5.9
577.12726	6.8
638.42981	4.5
696.00897	5.4
850.40228	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	850.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	10.3
67.69957	1.3
70.99553	1.5
71.07353	6.7
75.34545	1.4
86.09694	49.8
90.07619	1.4
98.98459	4.7
104.10739	4.1
112.93673	1.6
125.00001	22.4
156.03101	1.5
176.54678	1.6
184.07329	100.0
201.88589	1.7
230.21127	1.7
234.34119	2.4
299.98569	1.7
310.29205	2.1
459.75388	2.0
561.02142	1.8
579.98218	2.0
594.31110	1.7
739.40857	2.1
850.51917	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	851.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72670	10.7
90.21236	12.0
99.34220	11.8
107.04987	14.8
109.06518	100.0
118.98175	12.4
121.34818	10.8
164.23175	11.1
185.06569	13.7
188.36314	13.3
255.08800	23.7
273.09717	28.3
296.11417	41.5
301.09424	19.5
314.48318	16.8
360.13184	16.1
404.11862	28.6
407.51462	15.9
425.14560	44.3
469.13562	26.1
502.23080	13.9
517.63025	14.8
804.36652	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	851.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99439	4.3
96.57863	5.3
107.05003	14.0
109.06503	100.0
109.07191	8.7
166.60284	5.4
168.69177	5.9
178.21869	5.3
185.06720	10.3
189.21046	5.4
190.07191	5.4
201.87657	5.6
208.08240	12.6
218.25514	5.2
233.96870	5.6
255.08734	10.0
269.84869	5.6
273.09732	15.2
296.11429	20.7
301.09326	13.7
319.10080	9.6
345.08380	12.9
353.61386	5.4
360.13052	7.1
386.10959	9.0
404.11926	16.6
405.11819	15.1
425.14395	32.9
469.13391	10.3
511.53833	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	852.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68198	13.7
95.77361	14.3
111.35357	17.6
115.00655	17.5
122.55038	15.7
133.07658	17.8
145.07614	56.5
146.06032	32.8
146.08391	16.7
152.07045	20.5
161.06993	17.3
166.08662	24.1
172.03964	45.6
190.04985	25.0
203.08171	17.4
204.06534	37.7
216.85611	21.1
219.07698	17.0
247.07161	36.5
251.11824	19.7
263.11844	33.5
279.11319	51.8
293.12976	19.5
297.12534	34.6
310.63544	17.9
321.10764	100.0
325.11441	18.1
337.11914	51.1
369.14493	36.2
415.89429	18.9
466.39197	20.8
478.23276	20.1
645.21497	47.7
677.24329	29.1
784.27264	20.9
802.28876	47.8
834.31348	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.6665
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58566	7.8
67.49625	9.2
71.08635	42.7
73.06571	15.0
85.10192	25.8
86.09721	11.3
87.04472	17.2
89.06026	100.0
91.71016	19.1
117.09167	8.7
130.08688	28.6
133.08623	46.4
138.94069	9.7
143.96475	10.7
177.11293	31.0
184.07440	22.4
237.74811	9.8
256.79419	10.6
329.84860	10.2
858.90369	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	861.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87991	11.3
69.95264	16.4
70.06580	30.3
74.50815	10.9
74.95431	10.4
84.04476	15.2
86.09727	14.8
88.84322	12.1
94.15906	12.0
95.24711	13.0
128.08803	11.6
130.06433	26.3
146.06004	60.7
167.08557	15.5
174.05475	81.6
196.09976	18.5
211.12367	38.0
211.85887	13.4
227.11771	34.2
239.11720	67.9
253.13327	16.3
266.53580	16.8
269.13007	16.2
281.12900	94.4
283.10727	50.4
284.11566	26.1
287.13861	78.9
299.13992	100.0
325.11810	77.7
567.25763	18.5
611.24683	38.6
817.65985	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	861.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80167	4.0
70.06598	8.2
76.38193	3.7
84.04490	4.6
84.55042	3.5
86.09687	6.7
91.71439	16.4
107.07341	8.6
118.53017	3.7
124.52853	3.6
134.25841	4.2
195.09216	5.3
196.09891	19.2
209.10774	11.9
210.09328	6.6
210.11478	7.9
211.12299	23.6
212.47794	4.3
223.08936	3.7
223.27339	4.9
227.11763	8.3
237.10239	13.2
239.11806	14.3
255.11282	14.0
269.12985	5.7
271.14566	4.5
281.12845	11.7
283.10754	100.0
287.13824	21.0
299.13934	23.8
325.11743	48.7
343.12805	6.4
395.97314	4.6
611.24701	29.4
749.09308	4.7
796.63617	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	861.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80817	10.0
67.21712	10.3
87.49293	11.0
101.94684	11.0
130.06566	24.6
134.45419	13.8
138.57233	12.5
146.06036	16.3
174.05516	48.8
196.09941	28.9
211.12250	29.0
225.10156	18.8
227.11693	29.0
237.10240	13.8
238.35045	12.9
239.11777	38.4
253.13223	14.6
281.12958	41.0
283.10794	61.5
284.11426	20.8
287.13913	57.9
299.13895	100.0
325.11841	46.3
590.05121	21.3
611.24933	52.6
724.41980	18.7
874.40894	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	864.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03402	7.3
67.05482	7.0
71.07357	18.2
75.70856	6.7
86.09695	100.0
115.54111	8.2
162.95605	51.6
179.90678	8.4
194.97127	9.4
239.49252	8.4
243.05652	9.0
256.95496	8.2
378.97659	9.3
623.11792	12.5
686.43683	8.9
713.50336	9.9
744.13947	10.0
805.41797	46.2
870.38373	10.5
870.99719	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	864.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05071	8.2
60.97221	8.0
71.08609	31.7
73.06530	14.3
75.52139	8.6
85.10176	19.2
86.09713	14.6
87.04451	18.5
89.06024	100.0
97.51161	10.1
117.09147	10.6
130.08656	30.8
133.07568	11.7
133.08562	47.6
177.11249	17.3
204.87337	9.6
299.48843	14.2
755.11530	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	867.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46674	4.4
63.95839	4.2
105.85298	5.9
107.04961	13.3
109.06511	51.1
165.02162	11.0
167.00259	7.6
183.03287	43.8
185.01274	6.9
201.04379	46.3
204.03369	6.6
206.04874	66.4
207.04552	6.1
208.02814	12.0
224.05937	49.8
227.02245	13.8
232.02824	7.6
245.03317	17.2
247.07483	42.9
250.03882	22.5
268.04782	26.2
271.06317	29.7
273.05542	12.2
289.07361	32.1
291.06668	26.3
298.35660	6.1
307.08490	7.1
312.09042	100.0
313.09354	7.7
314.07016	8.9
315.05377	20.3
333.06485	20.7
335.08188	15.7
335.50098	7.5
338.06909	15.2
340.08688	6.2
353.08359	8.7
356.08054	53.3
369.48801	6.5
376.10541	41.4
377.10641	29.3
409.82785	6.7
420.09595	19.8
421.09641	24.0
441.12201	74.2
485.11609	30.7
498.44095	5.8
521.32269	6.0
523.50909	5.9
547.16400	6.2
614.66553	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	867.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
74.11441	5.0
94.71120	5.2
109.06520	47.1
115.28079	5.7
117.26389	5.4
150.95776	5.7
150.96992	5.5
165.02303	7.0
167.00191	6.5
175.02855	7.5
182.04898	7.9
183.03264	48.2
185.01295	8.9
190.01744	6.2
201.04344	49.5
206.04875	46.3
208.02986	9.3
209.01234	10.0
224.05911	45.2
227.02299	10.9
232.02901	8.7
242.07146	8.3
245.03426	16.2
247.07559	35.6
250.03990	16.1
254.04980	7.2
268.05029	20.6
271.06448	18.6
273.05090	7.2
289.07498	37.7
291.06491	27.5
312.09042	100.0
315.05441	16.3
330.10178	7.6
333.06378	16.7
335.07916	15.0
356.08127	56.7
367.00037	6.1
376.10535	34.3
377.10614	20.2
420.09763	17.0
421.09509	24.9
423.10956	6.7
441.12198	67.3
482.15262	9.0
485.11081	32.1
509.81027	6.6
534.56250	6.7
547.16193	7.5
649.49469	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	872.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07380	7.6
86.09700	47.2
86.10197	3.2
86.73141	2.2
98.98460	4.0
104.10757	4.4
111.22678	2.0
112.39832	2.2
120.10541	2.3
121.40627	2.0
124.99987	26.4
144.27513	2.4
168.69469	2.0
184.07332	100.0
184.08867	5.2
230.92560	2.2
335.15628	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	881.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32852	21.4
69.81100	20.8
83.19690	27.3
86.10372	21.6
130.06558	100.0
132.78041	27.3
146.06084	24.3
163.08690	30.2
164.07220	26.3
180.86086	25.9
188.07086	37.3
204.06355	26.1
212.10966	31.7
221.09161	32.9
229.99660	25.0
276.69476	37.8
289.47772	26.5
304.56757	27.7
307.89700	29.6
309.12381	36.1
369.14520	36.6
386.60516	35.8
553.48492	32.1
701.34918	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	883.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
77.62097	5.2
83.52641	4.9
90.10673	6.5
102.47318	5.1
107.04955	32.8
109.06509	100.0
113.96420	6.7
157.06503	9.6
165.41415	6.2
181.98933	6.3
193.78021	7.3
199.00507	13.7
220.00502	13.6
222.02193	18.3
224.98512	9.6
227.46040	6.3
248.00032	10.0
287.03601	41.1
305.04620	16.0
312.03320	10.1
328.06305	51.1
331.02710	17.4
333.04196	18.4
354.04129	25.7
355.40137	7.8
372.05304	25.6
377.03122	28.9
395.04163	55.1
431.11725	9.6
436.06830	95.0
457.09421	10.6
471.55322	7.6
472.13745	7.9
483.07236	11.1
501.08270	60.7
687.89227	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	883.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84354	6.9
66.17845	6.7
68.24911	7.4
70.06605	9.8
87.14460	8.4
91.71574	14.9
107.05002	40.6
109.06504	92.1
136.70012	9.3
182.97456	9.2
197.82065	9.2
220.00688	12.0
222.02184	13.5
271.00571	13.2
287.03781	35.4
312.03171	15.3
313.01584	12.6
328.06400	24.3
331.02618	22.8
333.04163	21.2
354.04395	30.0
372.05597	19.2
377.03320	33.3
395.04379	40.5
436.06766	100.0
438.83154	10.8
501.08435	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	884.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04453	41.5
89.06027	100.0
91.05465	11.5
95.04916	9.7
95.93229	9.3
103.76259	8.2
121.06519	27.2
130.08615	34.5
131.07047	18.8
133.08583	77.3
146.67418	9.2
147.08121	15.1
170.60590	10.0
177.11230	28.7
195.97260	9.3
211.13307	10.0
233.19034	24.6
277.21634	22.5
319.11130	10.2
572.69904	13.2
902.31665	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	891.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.65781	33.6
81.54134	35.5
85.89495	34.4
91.71676	93.7
131.48637	37.8
168.93810	39.4
185.97775	40.5
191.97789	41.3
289.09485	47.6
303.86514	46.3
330.17529	100.0
670.08240	49.5
754.77069	49.7
805.58276	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	89.1
69.07069	15.1
73.83623	12.5
79.05487	56.6
81.07049	87.9
85.02896	41.1
91.03941	27.5
91.05459	68.1
91.70979	20.4
93.07020	89.6
93.97744	10.9
95.04991	17.3
95.08588	78.2
97.02869	23.7
98.66393	12.7
105.07028	25.8
107.08564	34.3
109.10149	20.7
117.89100	12.9
119.08578	32.9
121.10154	35.6
123.11748	16.2
133.10130	17.6
135.11699	37.4
145.10097	26.9
149.13304	22.0
215.17995	44.6
231.17477	22.0
233.19011	22.3
239.90027	14.0
273.81693	16.3
283.68796	14.5
307.22672	100.0
327.51337	15.1
398.27664	17.7
511.16583	16.2
666.11847	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	898.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24189	6.6
66.01186	5.8
67.05502	9.3
71.07348	25.6
73.51216	5.9
79.05448	7.2
86.09700	95.6
90.96657	6.7
91.05491	11.2
91.70991	10.6
93.99315	6.3
101.67779	6.0
146.98146	13.7
242.20703	9.0
326.96198	8.0
432.02710	8.7
715.48907	100.0
839.48279	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	903.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	13.6
67.71184	6.8
69.03410	13.9
72.63316	6.8
77.30560	6.7
79.22435	6.0
81.07036	9.9
85.02872	18.4
91.03937	12.7
97.02890	18.9
107.86549	7.0
125.65235	8.6
141.14513	7.8
179.73581	7.2
192.07083	7.5
197.88834	9.6
230.81537	7.8
277.82480	10.1
297.99158	8.1
301.09366	7.9
322.78564	9.1
327.07806	9.4
464.23550	10.0
491.26328	11.8
653.31677	15.3
763.32526	10.6
903.50476	100.0
904.49109	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	904.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74165	10.6
67.05515	41.5
69.07075	15.2
71.08646	24.6
79.05503	42.1
81.07069	52.5
83.08620	23.1
85.02892	25.6
91.05532	20.3
91.71354	28.2
93.07085	41.6
95.08633	43.4
97.02966	12.8
107.08617	16.4
109.00488	11.8
109.10196	16.4
121.10188	28.2
135.11719	26.4
156.37796	12.3
159.11673	14.7
161.00975	11.8
215.18008	28.4
233.19092	29.5
306.74304	13.7
307.22504	59.8
313.27402	100.0
362.29526	15.4
545.45325	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	904.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05187	10.2
67.05477	58.2
68.43938	6.7
68.51276	7.8
69.07050	21.2
71.05003	7.1
71.08628	22.6
79.05478	19.6
81.07036	57.8
83.08637	8.9
85.02890	28.4
85.10173	15.1
87.45783	8.4
91.03967	12.3
91.05473	16.4
93.07050	34.7
95.08607	55.1
97.02895	12.6
105.07024	12.8
107.08598	31.8
109.10150	14.5
119.08586	13.7
121.10209	15.3
122.49731	8.5
123.08192	8.9
130.45584	10.0
131.08568	10.7
147.49344	9.5
151.88087	9.3
173.50343	10.2
213.82109	12.2
243.21069	11.4
261.22217	25.7
281.44083	10.0
285.24194	100.0
317.24252	10.4
326.55322	11.4
335.25714	72.8
457.29617	11.9
545.45319	34.0
654.42572	10.0
708.53876	11.7
716.01880	11.6
754.36053	12.2
884.77606	13.1
918.08459	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	905.6793
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65395	0.5
67.05491	1.2
69.07059	0.8
70.06571	2.6
70.69388	0.7
81.07036	0.8
82.06573	4.7
83.04967	1.8
83.08615	18.2
84.08125	2.6
85.06532	1.1
94.06519	1.0
98.09693	3.2
100.07610	10.1
100.11251	100.0
100.68208	0.8
110.06048	3.2
111.04434	12.1
112.07616	3.6
117.13885	1.4
119.95643	0.6
126.09164	2.7
127.08658	3.4
128.07071	10.1
129.05432	0.8
134.41556	0.6
139.08659	6.8
140.07065	4.9
147.11708	1.2
149.13245	0.7
164.14442	0.8
166.15965	1.5
168.13823	1.3
182.15399	38.3
192.13887	1.3
209.16489	35.6
210.14877	50.5
211.15221	1.1
226.19087	6.5
227.17598	2.9
228.15987	4.7
308.26895	0.8
309.25513	2.6
326.27994	6.5
335.24506	1.0
336.22781	5.2
337.21317	1.2
343.30789	2.8
375.55402	0.7
435.33075	1.5
452.36115	2.2
453.34634	2.5
501.87372	0.8
552.45007	1.4
557.74585	0.7
569.47858	1.1
887.67365	4.6
905.67950	50.9
906.68359	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	909.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	12.1
71.94694	8.8
82.46141	9.1
85.02890	18.7
91.03926	9.5
97.02896	19.6
100.16320	9.1
104.61356	9.4
114.74653	9.9
115.35155	9.5
135.37306	10.8
146.21078	15.7
192.81558	10.9
287.42401	11.4
344.79410	13.6
389.30963	13.0
513.99231	12.9
633.23022	16.1
656.35370	13.5
689.12769	14.2
909.55005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	11.2
76.47452	8.6
79.57049	7.5
85.02883	8.9
97.02882	19.3
103.60107	7.3
111.65329	8.2
121.31216	10.5
159.23975	8.4
167.45840	7.9
195.83969	8.9
610.04413	10.3
681.20117	10.9
766.76276	10.2
812.23376	11.0
909.55280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	77.3
69.07067	21.3
73.27460	13.1
78.36459	11.1
79.05475	44.3
81.07045	80.1
84.42619	13.5
85.02893	34.8
85.86826	16.1
90.79825	12.7
91.03957	21.4
91.05471	45.6
93.07024	83.6
95.08601	100.0
97.02879	22.1
105.07029	44.9
107.08583	41.4
109.10173	34.5
119.08529	23.2
119.24040	13.8
121.10114	57.6
131.08560	27.1
133.10115	23.9
135.11702	29.0
163.06035	17.2
166.09204	12.9
173.13217	15.6
181.07510	15.0
307.22629	34.6
321.24228	51.3
386.38913	16.7
408.82693	16.4
528.75446	17.3
629.41003	16.9
899.32281	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	917.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
108.27369	21.8
142.09474	21.8
264.22742	26.9
309.98779	31.4
437.51001	30.4
437.57858	27.7
447.57382	30.9
547.73376	33.1
562.30542	33.3
641.19415	31.6
917.51324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79256	2.2
82.16364	2.6
97.06110	2.4
107.22954	2.3
123.56371	2.4
147.64951	2.4
168.14146	3.7
437.19308	100.0
509.27182	67.8
556.76343	3.6
603.35474	3.3
718.02472	2.9
934.18616	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	923.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	9.6
74.07604	8.2
85.02905	11.1
95.08569	8.4
97.02943	11.1
130.35329	8.9
180.95790	8.6
182.41159	9.7
195.19745	10.1
241.84610	10.1
244.53099	8.7
398.56146	12.2
405.13458	13.4
456.49811	10.3
491.38113	10.5
593.92792	9.7
610.30670	10.5
756.16504	10.7
863.24426	13.0
923.56738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.07050	15.0
71.67825	6.3
74.61589	5.9
79.05479	43.1
79.39159	7.0
79.62554	6.8
81.07049	70.5
82.65423	7.9
83.08604	12.1
85.02905	32.3
91.03941	19.8
91.05479	75.7
93.07030	71.6
93.62284	6.7
95.04964	9.2
95.08604	56.2
97.02903	14.8
105.07021	62.3
107.08580	30.0
109.10154	26.4
114.83386	6.7
117.07016	21.5
119.08575	42.5
121.10142	29.2
129.06966	12.6
131.08589	31.2
133.10092	40.3
135.11731	21.5
145.10101	15.8
147.11653	17.3
149.13287	8.3
157.10104	15.2
159.11655	15.3
161.13281	29.5
165.00487	7.5
171.11674	14.2
173.13246	16.6
175.14745	9.6
184.38924	7.3
185.13289	11.6
187.14793	8.6
215.17964	15.1
241.19550	12.4
259.20465	15.2
307.22586	80.1
315.32193	7.8
333.24106	39.6
354.76416	7.2
442.70410	7.6
565.42401	12.1
756.10077	9.0
771.86224	8.8
910.96350	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	926.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	5.7
67.05498	100.0
69.03423	6.5
69.07062	17.8
71.04965	5.1
73.02902	7.6
76.22928	3.3
79.05483	54.1
81.03446	4.7
81.07047	84.2
82.54189	4.0
83.08609	10.8
85.02880	19.8
89.57652	3.5
91.03947	13.1
91.05480	37.6
91.70940	7.0
93.07038	68.7
95.04961	9.6
95.08589	56.4
97.02883	18.5
97.06531	5.2
105.07014	27.9
107.08567	33.1
107.66855	4.3
109.10156	30.1
117.07003	8.8
119.08595	20.7
121.10126	30.7
123.11697	13.6
127.03905	8.7
131.08585	14.7
133.10100	24.5
135.11703	21.9
145.04979	8.2
145.10135	17.5
147.11685	16.5
149.13229	10.7
151.50974	4.5
159.11714	15.4
161.13245	10.3
163.05956	7.9
173.13251	16.6
187.14908	7.0
215.17990	15.3
217.19441	4.6
227.18936	4.8
231.17447	6.6
233.18993	8.3
261.22150	11.0
305.21207	5.9
307.22647	43.3
309.24252	8.6
335.25729	62.9
339.95670	4.5
493.39972	5.5
567.43756	14.6
585.44757	18.6
696.49591	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	928.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.1
67.05494	86.1
69.07054	23.7
71.04962	3.5
72.16045	2.9
73.02899	4.4
79.05483	28.3
81.07044	100.0
83.08611	17.3
85.02911	25.3
91.03947	13.3
91.05465	29.9
93.07031	57.6
95.04957	4.7
95.08595	64.9
97.02892	12.1
97.06545	4.7
97.10168	8.5
99.08039	3.7
105.07021	25.6
107.08588	24.3
109.10161	19.8
109.45123	3.8
111.08099	3.7
117.07010	4.1
119.08566	19.0
121.10150	17.0
123.11738	7.4
127.03918	9.2
131.08588	12.2
133.10156	19.0
135.11700	20.9
137.13229	4.9
145.04991	5.8
145.10138	8.8
147.11699	11.2
149.13258	8.2
159.11604	7.2
161.13254	7.3
163.06017	9.3
163.14857	5.9
173.13229	7.2
204.16350	4.3
205.25322	4.8
208.66640	3.6
217.19402	7.4
233.18997	4.3
250.21317	4.0
261.22119	9.3
309.24173	50.8
317.24631	5.3
335.25729	61.1
352.73911	4.8
510.16882	4.4
569.45825	19.9
587.46588	25.2
798.73181	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	928.6197
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42989	14.1
71.03936	14.6
87.04453	59.3
89.06024	100.0
91.05482	15.6
121.06496	27.2
123.23473	13.6
130.08627	30.7
133.08614	94.3
177.11197	34.8
216.19240	13.5
229.25848	16.7
233.19077	36.3
277.21585	39.2
463.65103	14.4
499.46292	16.3
834.48602	18.8
940.75745	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	929.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	7.2
73.02879	7.2
73.29642	5.4
79.05495	7.5
81.07027	10.9
85.02904	17.9
89.10699	6.2
91.03942	9.3
91.05460	6.5
97.02868	10.9
106.23466	6.6
110.37016	7.0
131.45020	6.1
154.63971	6.8
244.17337	7.9
308.16000	7.2
355.28540	7.7
653.30396	11.0
756.21918	11.1
905.01862	9.0
929.52637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	50.8
79.05487	28.6
81.07042	55.7
83.08604	18.9
85.10659	15.9
87.06128	14.3
91.05467	47.2
93.07029	45.8
95.04934	18.5
95.08610	31.9
100.82452	13.7
109.10096	17.5
121.10157	28.8
138.80415	16.2
140.60938	17.3
163.12158	15.9
164.07033	28.6
167.80864	15.1
177.07790	36.0
180.13419	15.3
190.08710	20.0
241.80504	17.7
274.17877	37.6
302.17609	37.5
307.22629	40.8
320.18591	37.0
394.22107	34.6
473.91422	22.4
626.40295	53.1
788.44977	70.3
930.55914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93817	10.0
67.05502	74.6
69.07052	47.9
73.71043	10.0
75.73434	8.4
79.05491	41.0
81.07051	100.0
83.08601	19.8
84.47484	9.0
85.02897	19.1
91.03950	13.5
91.05459	15.5
93.07037	45.0
95.08596	62.1
97.02916	22.7
105.07057	13.9
107.08581	26.3
109.10141	26.0
110.65397	10.1
111.08122	9.7
116.46282	10.1
119.08611	13.5
121.10166	21.4
135.11679	15.8
145.10130	10.5
234.59798	11.8
237.22200	14.3
243.06833	11.1
261.22113	26.8
311.25647	60.1
335.26025	67.9
427.35059	11.1
440.52036	12.0
527.25690	11.8
571.47180	36.1
589.48254	15.8
608.52527	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	931.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26366	5.5
70.06590	17.0
72.43089	6.3
81.04430	5.9
82.50980	6.1
87.72772	5.6
89.30916	5.5
97.11197	5.6
137.07996	9.0
172.11922	7.4
186.96082	7.9
231.60295	6.9
271.06024	34.9
309.01071	10.4
345.02792	63.6
350.03326	39.0
363.03906	17.2
367.56277	10.5
368.04425	100.0
386.05646	9.4
391.05957	92.7
579.05560	46.1
597.06598	18.3
620.08405	43.1
662.09656	12.6
726.17975	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	931.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	6.2
69.03425	7.0
69.07059	2.0
70.38258	2.0
70.50262	1.9
73.02914	8.0
76.61137	2.0
78.53505	2.1
79.05519	4.8
81.07069	7.5
82.93000	2.7
85.02916	11.4
91.03974	7.0
91.05461	3.5
91.70995	4.9
93.07057	5.8
95.04958	2.1
95.08621	8.1
97.02882	14.9
99.04467	4.2
99.38982	2.7
101.02393	4.1
101.47798	2.3
107.08595	2.5
121.10177	3.8
127.03900	4.9
236.71004	3.0
347.09552	4.7
405.13806	7.0
459.42892	2.9
491.26212	7.0
519.29437	4.1
541.28741	3.1
653.31909	6.6
672.65698	3.4
681.34528	5.7
931.53796	100.0
932.53760	4.6
960.21851	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	932.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	49.3
69.07055	13.9
71.08615	22.6
79.05475	23.7
81.07044	48.8
82.38680	6.6
83.08617	15.7
85.02910	18.9
85.10161	14.4
91.03949	14.5
91.05466	7.4
93.07045	20.7
95.04929	7.1
95.08596	46.6
97.02888	7.8
97.10167	14.2
107.08599	16.9
109.10152	22.1
119.08513	7.5
121.10152	13.4
123.11710	7.7
133.10149	7.2
134.98569	7.8
135.11725	10.5
149.13228	8.2
163.05942	9.7
211.68369	7.6
216.60007	7.4
217.51878	8.1
231.29874	8.5
246.02888	8.4
261.22037	37.5
262.54932	7.2
313.27289	100.0
335.25812	74.6
573.48621	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	933.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	8.5
69.03409	5.5
73.02894	4.6
77.52249	2.9
81.07023	6.8
85.02880	18.1
89.87234	3.3
89.88219	3.7
91.03940	5.9
93.07024	3.9
97.02888	12.8
101.02332	4.9
106.62558	3.0
109.02885	3.5
109.10133	5.0
113.95619	3.6
151.82588	3.7
193.39375	3.5
215.77989	3.4
283.44897	3.7
320.04211	3.7
328.39743	4.0
405.13608	9.1
493.27548	4.6
519.29321	5.5
519.92609	3.9
655.33228	5.2
681.34363	5.3
933.55396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	4.7
67.71594	4.0
69.03429	5.1
69.07050	5.8
71.72387	4.6
81.07035	9.8
85.02906	13.3
97.02895	11.5
105.36823	5.3
114.01561	5.3
127.03876	5.5
141.57843	4.9
194.15544	6.3
461.72775	7.1
725.71344	6.7
935.56830	100.0
936.55206	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	937.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	5.9
69.03415	10.4
73.02947	7.6
85.02892	15.1
91.03947	7.4
97.02902	11.4
127.03844	6.3
214.24208	5.6
360.05334	6.5
497.30884	11.7
503.49103	6.6
544.13007	6.2
659.35626	9.0
937.41156	6.8
937.58667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	100.0
69.07074	16.5
79.05505	37.6
81.07054	93.8
85.02895	18.0
91.05504	30.3
93.07043	74.4
94.76196	9.6
95.05030	10.1
95.08614	82.4
101.08127	10.7
105.07069	38.1
107.08626	34.6
109.10184	30.3
114.79482	9.8
117.07050	17.1
119.08586	27.9
121.10165	31.3
133.10179	16.1
135.11726	20.6
145.10092	9.8
147.11720	14.1
149.13370	13.0
159.11818	11.7
164.88638	9.7
261.22211	14.2
321.24225	30.7
335.25970	39.9
337.27170	11.5
458.32678	11.2
512.73517	11.4
515.06317	13.6
599.46515	19.3
894.62836	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	942.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64671	12.6
67.05499	82.7
69.07020	18.2
76.11427	18.2
79.05477	70.1
81.07040	65.7
85.02867	19.7
89.57324	15.6
91.05463	87.5
93.07026	100.0
95.08611	56.5
97.02877	18.8
105.07030	72.7
107.08566	38.7
109.10164	20.3
113.77916	15.2
117.06984	27.2
119.08604	57.0
121.10142	58.8
130.31743	16.3
131.08597	33.7
133.10120	57.2
133.77275	17.1
145.10139	29.8
147.11707	42.3
159.11720	29.6
170.92401	16.0
171.11729	17.9
217.96674	17.1
259.20776	21.4
291.35818	19.4
307.22791	56.6
391.04340	18.4
583.43567	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	942.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	87.9
69.07055	18.4
72.87508	8.0
77.71601	7.3
79.05489	78.2
81.07044	86.3
83.08610	11.0
85.02895	23.8
91.03936	18.8
91.05463	89.7
93.07041	100.0
93.27856	8.4
95.04959	16.3
95.08603	41.2
97.02867	22.7
98.56429	8.4
105.07008	74.5
107.08566	48.6
109.10152	24.7
117.07006	29.0
119.08571	72.3
121.10123	36.9
131.08565	33.2
133.10112	53.2
135.11720	22.1
143.08577	10.6
145.10124	31.7
147.11707	45.9
149.13226	15.1
157.10123	17.2
159.11699	27.6
161.13252	19.9
171.11693	12.6
173.13214	11.4
187.14841	9.1
241.19801	11.1
259.20712	30.3
302.64020	9.8
307.22589	68.6
333.24289	20.6
503.01797	9.8
583.43182	52.4
728.98889	11.6
828.52350	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	945.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84191	12.9
71.18889	12.7
81.07024	16.2
85.37868	16.4
86.13970	17.3
99.49750	15.8
99.80773	18.0
165.80762	16.8
177.22923	15.5
246.07458	18.4
310.00754	18.4
616.40216	16.8
693.16022	21.0
945.55347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59104	1.3
85.11787	1.2
86.45010	1.3
91.55205	1.2
216.82373	1.3
358.76602	1.4
433.63055	1.5
853.10510	1.6
869.34216	1.9
947.51129	100.0
948.50946	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	947.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44586	6.5
67.89771	6.7
79.05432	7.2
79.61786	6.3
81.07042	10.3
85.02873	14.1
88.50978	7.0
91.03954	7.8
97.02886	10.3
128.39113	8.2
219.97720	8.0
405.13052	10.8
653.31604	15.6
947.53436	100.0
948.51990	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	947.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.7
69.03438	7.5
78.34202	3.9
79.05513	5.3
79.50282	3.8
81.07071	6.4
85.02923	13.3
89.31644	4.4
91.03954	7.6
91.05470	4.6
93.07036	8.4
97.02901	10.6
121.10172	5.2
134.95573	4.2
138.34776	4.6
148.43866	5.0
218.45889	4.9
250.16869	5.4
257.51331	5.5
405.13828	9.7
464.89874	6.7
491.26492	10.3
533.30450	5.9
653.31689	12.7
947.53241	100.0
948.53253	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	949.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60287	4.9
72.56274	4.9
127.04146	5.5
147.77211	5.8
184.05637	5.8
238.16507	6.8
276.26367	6.8
326.75613	6.6
348.01749	7.8
519.85321	8.1
949.52441	100.0
959.20264	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	950.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09180	5.3
67.05495	65.2
69.03412	4.7
69.07063	14.2
70.34469	4.6
73.02903	5.2
79.05495	47.4
81.07047	58.9
83.08594	9.4
85.02911	20.3
91.03947	12.5
91.05460	59.4
93.07030	48.1
95.04948	13.1
95.08600	40.7
97.02907	11.9
100.07844	5.4
105.07014	36.5
107.07932	6.5
107.08596	24.4
109.10162	18.6
111.87937	4.9
117.07002	26.0
119.08553	32.8
121.10158	23.8
128.06224	5.7
129.05507	5.4
129.06989	11.7
131.08554	32.3
133.10141	19.7
135.11684	17.7
141.76228	6.3
143.08549	12.3
145.10170	19.6
147.11705	12.3
148.45436	5.1
157.10159	11.9
159.11743	16.0
163.14917	4.9
171.11748	10.4
173.13322	10.0
175.14830	8.2
187.14883	11.1
197.94438	5.6
201.16434	18.3
267.21112	17.0
285.22098	12.6
307.22665	100.0
327.28873	6.1
335.30945	7.2
359.25861	12.4
363.22739	6.2
403.60397	7.8
430.03616	7.0
952.18890	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	952.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	100.0
67.72823	7.9
68.22508	6.6
68.74648	8.5
69.07053	29.2
79.05494	56.4
81.07043	97.0
83.08629	12.2
85.02895	27.0
91.03921	11.1
91.05486	83.4
93.07037	66.5
95.04950	17.4
95.08591	65.6
97.02885	18.7
97.06498	10.9
105.07022	72.5
107.08595	41.9
109.10130	33.5
111.07422	8.7
112.10635	10.7
117.07012	21.1
119.08578	37.3
121.10134	31.6
127.03932	11.0
129.06975	14.6
131.08556	26.2
133.10130	26.6
135.11688	25.0
140.55464	9.6
145.71339	8.9
147.11694	19.3
149.09637	11.5
149.13297	14.2
159.11684	21.1
161.13293	29.3
163.05988	10.4
171.11736	10.5
173.13393	14.2
198.43748	10.1
206.95798	9.4
241.19484	21.7
259.20593	22.8
267.32977	13.7
288.49112	10.3
305.67056	10.3
322.54352	10.1
333.24304	29.7
335.25784	92.5
551.36450	10.9
610.12201	10.2
635.91785	9.4
927.61359	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	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	99.4
69.07056	21.3
69.92606	6.8
78.14474	6.5
79.05479	38.3
81.07043	96.6
83.08627	8.3
85.02885	24.0
91.03937	11.1
91.05486	36.6
93.07032	70.3
95.04970	16.5
95.08020	11.4
95.08592	85.4
97.02878	8.2
105.07027	26.8
107.08576	34.8
109.10153	32.5
117.07021	17.3
119.08566	29.5
121.10130	26.1
123.11732	13.9
129.05072	7.9
131.08600	16.5
133.10124	15.6
135.11719	19.8
139.31747	8.6
145.10158	16.8
147.11671	13.1
149.13321	9.4
159.11752	13.7
161.13341	8.3
173.13261	11.3
225.26649	8.0
261.22055	25.5
284.05954	8.2
323.79251	10.7
335.25790	100.0
337.27319	13.2
442.22427	9.8
595.46838	10.9
613.48322	24.7
793.35559	8.5
876.26184	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	955.437
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01942	0.7
70.06582	100.0
70.66650	0.7
72.08138	3.4
77.42883	0.7
84.04488	2.8
86.09708	7.7
87.05584	1.4
88.03976	2.6
102.05514	2.8
127.08675	3.7
133.06085	3.2
140.14351	0.9
141.06586	1.6
155.08154	10.5
159.07675	2.2
164.11975	0.9
169.13335	6.1
183.11317	0.9
186.70642	0.9
187.07121	2.5
196.05952	1.0
197.12900	1.7
213.08862	1.1
227.06676	1.2
229.11870	1.8
243.94542	1.0
248.08723	1.3
284.09344	1.1
284.12408	3.3
302.09821	1.1
399.15128	3.5
431.08810	0.9
514.17542	2.6
518.17767	1.0
531.20471	27.3
727.32550	4.3
955.43622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	7.9
69.03422	13.7
81.03383	6.3
81.07069	7.6
85.02892	13.7
91.05467	10.7
93.08591	5.1
93.53561	5.2
97.02889	11.2
100.86591	5.0
101.33364	5.6
111.47562	5.9
148.21295	6.3
237.44881	6.1
427.00482	7.5
653.30933	8.6
705.34619	8.1
879.31866	7.2
955.54071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	100.0
68.96351	10.1
69.07061	33.5
76.82169	10.7
79.05478	36.1
81.07047	96.0
85.02906	16.9
91.05470	21.7
91.61190	11.7
92.35979	12.9
93.07037	39.6
95.08583	51.0
105.07053	19.7
107.08604	27.4
109.10143	27.1
119.08648	17.2
121.10138	21.8
123.11684	13.5
133.10098	14.5
142.00026	13.9
145.10144	22.6
261.22028	23.6
335.25894	35.5
337.27435	48.3
407.01443	12.2
588.09106	11.8
597.48724	17.8
615.49634	30.2
744.96210	14.1
843.73969	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	957.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02869	10.7
91.03941	9.5
97.02853	14.2
201.31685	9.2
528.47632	9.7
880.75708	9.9
957.55243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	12.9
69.03400	12.1
91.05471	12.1
97.02871	12.0
105.07131	15.3
106.77261	13.5
138.70071	12.5
674.62878	17.2
957.55585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.07066	26.1
79.05513	48.5
81.07071	66.2
88.26945	19.8
91.04002	18.8
91.05519	62.6
93.07069	76.5
95.04988	26.4
95.08621	85.8
105.07053	63.3
107.08611	53.0
113.68935	20.0
117.07089	20.6
119.08617	32.9
121.10201	30.7
131.08632	23.5
134.95724	20.5
145.13098	22.3
240.67433	25.5
245.34189	25.4
280.56992	24.4
307.22754	52.7
311.31494	25.0
355.33356	25.3
756.30206	34.8
990.46344	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	959.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	5.8
71.91338	5.7
85.02901	10.8
91.02679	5.7
91.03957	9.3
97.02901	10.9
114.71510	6.1
145.57579	7.0
403.93344	7.1
405.13745	7.3
440.90811	7.9
519.29047	14.8
681.33801	9.4
704.00317	7.4
959.57080	100.0
960.56555	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	961.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02899	15.3
83.18355	8.9
85.02890	13.1
85.85005	11.7
91.03960	13.3
97.02886	15.9
116.13772	11.3
125.08633	11.0
198.77095	13.7
471.76968	13.2
912.90717	14.2
961.58337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52699	5.5
86.22572	6.8
87.10964	5.7
89.60108	6.5
116.41097	6.4
146.07555	6.1
162.91161	5.7
233.06381	6.8
287.05466	22.1
325.00113	12.5
343.01294	16.1
361.02252	64.0
366.02774	33.2
379.03528	17.9
384.03983	85.7
407.05386	100.0
500.72543	8.1
611.04364	12.7
625.69128	8.0
652.06958	22.8
787.49689	7.9
828.09631	20.4
909.55731	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	975.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54559	14.3
136.87041	18.1
148.37199	17.3
148.97386	16.3
168.38495	17.2
588.26971	18.5
592.58276	17.1
631.17511	18.4
755.16101	21.1
975.54279	100.0
976.53320	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	978.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	13.0
73.02909	6.5
77.57559	6.9
79.05474	36.6
81.07041	78.2
85.02892	23.6
91.03951	11.9
91.05469	48.4
91.71700	14.8
93.07033	51.1
95.04981	8.7
95.08617	57.5
96.22403	5.4
97.02912	8.7
105.07044	42.0
107.08591	25.7
109.10150	29.7
117.07024	31.2
119.08562	32.2
121.10133	27.3
129.06981	15.5
131.08553	36.8
133.10164	23.4
135.11668	15.9
141.07123	6.2
143.08551	7.7
145.04985	7.5
145.10150	23.5
157.10127	15.6
159.11777	10.8
161.13173	9.1
175.14844	8.1
183.11705	9.5
187.14789	7.7
201.16443	14.1
225.16528	9.9
261.21967	8.2
267.21069	10.6
285.22052	19.4
303.59698	8.0
335.25848	100.0
359.25848	14.1
405.81686	7.3
637.48401	11.0
817.02802	8.9
846.34570	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	983.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	7.6
74.91177	5.0
75.93581	4.7
79.05495	6.0
81.07045	7.4
85.02887	10.2
91.05437	7.0
97.02853	7.4
107.08624	6.4
107.78177	5.6
110.05780	5.7
217.99168	5.8
274.84875	6.9
589.72003	6.8
696.00818	7.0
983.56641	100.0
988.71759	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	999.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42675	10.7
86.39381	10.7
88.16962	9.0
178.76865	9.9
236.18779	10.9
244.60652	11.4
387.08755	13.0
391.43719	11.0
713.50098	12.3
877.37640	14.0
999.54694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	26.5
73.02809	23.1
79.05391	2.3
81.03297	4.0
81.10791	1.8
83.01250	10.8
85.02808	4.2
89.02307	15.2
97.06436	2.3
99.04375	73.1
101.01647	3.2
101.02302	47.2
113.02309	19.2
113.05949	3.8
119.03378	6.8
123.04395	11.7
125.02306	37.8
128.56708	1.8
134.57599	2.0
139.03650	12.8
140.02831	1.7
141.01564	9.9
141.05449	3.6
143.03371	8.0
144.13885	2.4
149.04459	6.2
153.01598	3.4
153.05260	9.2
156.20764	1.9
161.04449	10.0
181.04730	5.4
183.02698	8.9
221.06627	4.2
225.03743	43.8
255.04828	6.5
283.38190	2.3
285.06036	5.6
330.02536	1.9
345.07983	7.8
367.16638	4.5
387.20203	5.2
409.18521	8.1
445.23669	2.9
489.23441	100.0
511.22092	5.7
578.24963	2.2
611.26978	3.4
1001.45862	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	1005.7576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58424	1.9
83.01245	15.6
91.03869	2.5
101.02291	4.5
117.38012	2.0
157.04945	11.4
169.11671	2.0
175.06026	28.3
178.79854	1.8
193.07133	6.0
255.23294	100.0
385.91098	2.5
413.29187	20.3
431.30179	65.8
458.34970	4.9
473.31195	68.8
524.10413	2.8
585.78613	2.5
1030.18835	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	101.023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84019	0.5
55.01754	4.8
57.03317	6.9
58.00457	4.7
59.01241	54.5
59.02489	0.7
66.04089	0.4
71.01238	12.5
72.99169	3.7
73.01257	1.2
73.02803	100.0
73.04550	1.6
74.03137	0.9
75.62959	0.5
79.64003	0.5
83.01237	2.0
87.00729	0.6
90.04188	0.4
91.72762	1.1
92.70043	0.6
98.09406	0.4
101.02300	48.0
102.02650	0.9
102.05471	1.5
110.00345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.8
56.37378	0.4
57.03316	12.3
58.00464	4.5
59.00071	0.8
59.01243	59.9
59.02532	1.0
59.98383	0.5
60.01592	0.5
71.01240	14.7
72.02020	1.1
72.91386	0.6
72.98566	0.6
72.99162	4.9
73.01205	1.2
73.02805	100.0
73.04595	1.1
73.21375	0.5
74.03153	1.0
83.01256	2.9
85.77993	0.5
87.00700	0.6
91.73309	1.2
98.50933	0.6
100.99682	0.8
101.02303	52.0
101.05931	0.5
102.02636	0.6
102.05441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6343
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33089	1.3
78.95760	10.3
99.46588	1.5
102.11216	1.6
109.43055	1.4
115.71343	1.4
120.20190	1.2
150.75206	1.2
152.99506	2.8
168.04305	1.9
224.06879	8.4
255.23282	100.0
330.17184	1.6
380.12842	1.6
480.30969	73.6
530.30090	3.5
959.26837	1.5
1023.35309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6791
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95762	13.2
81.14204	0.5
85.37950	1.7
152.86307	0.5
152.99510	2.3
157.98312	0.8
168.04208	2.0
224.06880	8.0
242.07977	2.1
255.23296	100.0
256.23578	1.0
454.88760	0.5
480.30981	83.2
481.31213	1.2
495.27469	0.9
554.34747	3.7
620.05078	0.7
651.65674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
96.00774	22.5
99.01921	3.2
109.03941	10.9
111.00731	4.3
113.03444	9.1
113.07084	13.3
114.01804	13.5
114.05455	3.6
122.09630	4.0
123.05482	16.8
123.70684	2.6
124.03929	5.0
127.05006	46.8
127.08630	5.3
128.03391	14.7
129.10211	4.5
136.03915	9.0
139.08662	3.1
140.08298	2.7
141.06607	7.9
145.06044	6.4
149.03484	4.8
153.06609	24.9
165.10240	24.9
166.06166	4.1
166.08652	14.7
166.09882	4.7
167.04535	11.8
167.08153	7.3
167.11760	3.1
170.09267	32.9
171.07733	5.6
182.12918	3.8
183.11349	9.0
184.07210	11.0
192.39650	2.5
194.12997	4.1
195.11343	12.1
208.10886	21.5
209.09238	18.6
210.12306	2.9
211.03580	3.0
212.13994	32.8
226.11916	25.8
227.10341	8.5
237.13593	9.8
244.13013	7.7
249.12518	4.5
251.03322	2.8
265.16660	4.4
266.15222	11.9
281.12683	8.8
299.13715	21.8
309.19507	3.4
342.13205	7.5
349.18826	11.8
366.21313	4.6
367.20093	5.0
495.25739	14.1
593.26154	4.6
707.30194	31.7
725.31293	12.3
740.30811	3.3
820.38586	4.4
838.39331	11.2
918.37927	3.4
934.64313	4.2
935.41943	15.7
936.39655	39.8
953.42468	4.2
1032.42346	6.6
1033.41553	8.7
1050.43896	100.0
1051.42078	13.3
1068.44751	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	1069.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
76.52194	1.3
85.02822	4.9
93.03333	1.7
95.01267	6.5
98.83266	1.4
99.00735	8.4
106.04130	3.8
107.04888	16.7
113.02343	5.2
121.02823	23.5
139.00261	4.8
170.16505	1.9
211.07562	13.1
213.09232	5.3
228.08058	4.1
261.67480	1.8
317.11795	10.4
318.12546	2.4
321.08289	3.0
350.11755	6.7
425.17633	100.0
467.18567	2.0
468.68945	2.2
531.36298	2.3
571.48401	2.4
604.95630	2.4
729.26416	2.7
747.26410	29.4
827.83026	2.1
852.81451	2.2
958.16754	2.0
1051.34290	7.6
1069.35596	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	1085.351
Annotation	Unknow
Peak:m/z	Relative Intensity
78.56091	0.7
83.01247	1.4
85.02805	3.7
87.00741	1.5
90.14555	0.9
91.72616	0.9
92.02530	1.6
93.03314	2.6
95.01259	5.7
99.00751	6.2
105.03291	1.7
106.04120	1.3
107.04898	2.0
113.02286	4.7
115.00257	2.0
119.37889	0.8
121.02820	100.0
121.06377	1.2
122.03596	5.6
123.04362	2.4
134.17824	0.9
136.03951	1.7
139.00250	3.6
146.14211	1.0
156.50667	0.9
196.48717	0.9
211.07632	3.3
212.08377	10.7
213.09193	1.7
244.07425	4.3
272.79965	1.3
318.20996	0.9
319.13409	57.3
321.08255	1.1
376.83145	1.0
423.16220	3.6
441.17047	17.9
701.26514	2.7
745.24823	2.4
763.26215	32.2
819.97711	1.5
1067.34045	6.1
1085.35120	74.9
1086.33691	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	1099.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02777	1.7
89.33207	0.6
113.02271	1.2
133.02841	3.3
146.10251	0.7
150.79033	0.6
151.00275	3.2
175.03923	1.9
184.22739	0.6
197.06070	0.8
199.03867	1.5
241.04951	0.9
243.02951	0.9
284.03278	1.5
285.04053	100.0
285.16943	1.3
286.04333	3.5
326.48611	0.7
327.05093	1.1
378.72784	0.8
461.07275	38.5
462.07816	0.8
466.05911	0.8
637.10486	20.4
707.81342	0.7
780.80988	1.0
883.89801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.5
67.01751	59.7
77.20961	1.0
78.95763	51.9
79.60870	1.2
83.01250	5.3
85.02812	2.4
86.40063	1.1
110.97488	3.3
111.00745	100.0
111.01831	5.8
112.01089	1.2
117.74648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
59.02129	0.3
60.22949	0.2
67.01750	14.2
67.03163	0.3
68.99633	0.2
70.58598	0.3
71.45907	0.2
78.93692	0.8
78.95763	100.0
78.97566	1.7
79.95610	1.2
80.67630	0.2
83.01232	2.2
83.04883	0.4
84.96423	0.2
85.02802	0.7
110.97436	3.1
110.98389	2.8
111.00745	24.8
111.01836	1.5
111.04423	0.3
112.01060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.7252
Annotation	Unknow
Peak:m/z	Relative Intensity
86.54135	2.4
87.04362	33.2
97.06450	2.7
99.04376	2.5
139.07521	10.2
153.09039	11.8
154.77820	2.5
205.19652	8.2
219.27902	2.5
227.75801	2.8
261.22339	13.8
269.22775	4.4
287.23746	14.1
295.46948	2.9
305.24899	100.0
349.23880	20.2
456.55838	2.8
651.47363	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	113.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35571	1.6
51.00638	1.3
55.01742	7.3
57.03315	35.0
67.01749	3.7
67.02825	1.6
68.01285	3.5
68.11793	2.0
68.99408	10.0
69.03307	16.3
69.52441	1.5
70.02834	6.6
71.01226	5.4
71.02368	2.7
72.00770	2.8
72.99176	3.2
76.00817	1.6
81.79004	1.9
83.01254	6.1
84.02036	15.9
85.02805	95.2
86.02330	5.3
86.17960	1.5
95.01246	5.6
95.95078	2.1
96.00784	3.0
97.37584	2.0
99.72030	1.7
105.44982	1.7
112.99863	2.4
113.02313	46.5
113.03439	100.0
113.05907	11.3
114.01841	4.2
114.05465	34.7
116.23055	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	1139.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04906	0.8
80.88658	0.3
81.41499	0.3
82.02842	0.8
91.72729	0.4
94.02837	11.1
94.06461	0.4
96.04430	1.0
104.04930	0.4
106.06503	0.4
108.04407	3.7
110.05998	1.3
116.45606	0.3
120.04416	24.4
120.08036	3.9
122.05986	4.2
130.06520	0.4
132.04431	0.7
134.05992	0.8
136.03928	0.6
137.04652	0.4
138.05492	13.4
148.03929	0.6
150.05486	15.0
152.07018	2.2
156.06612	0.5
160.03966	0.7
161.04720	0.6
162.05539	0.8
164.07104	0.5
166.04964	0.7
168.06564	10.5
171.04100	0.4
171.05339	0.7
172.88805	0.3
174.05533	0.6
180.06633	0.4
190.04985	1.2
210.08012	0.6
211.08742	0.9
211.12321	0.7
213.10329	0.9
215.11897	1.0
221.10881	0.5
222.07956	0.5
223.08763	4.5
223.12411	0.8
224.09503	2.1
225.10310	2.0
235.08829	0.6
235.12404	1.3
236.09602	0.8
237.10306	9.4
237.13936	0.5
238.11082	2.2
239.11864	9.5
243.11362	0.6
249.06743	1.0
249.10336	1.4
250.07423	0.6
251.08156	1.9
251.11896	3.7
252.09189	0.4
253.09821	0.5
255.11397	0.5
261.12622	0.4
262.07388	0.4
263.08282	2.5
263.11819	0.4
264.09018	5.0
265.09818	2.4
265.13455	0.5
266.10580	0.5
267.11432	0.9
269.04550	1.6
269.13147	0.4
271.10956	1.4
276.09085	0.9
277.09808	2.7
278.10635	2.5
279.11395	18.2
280.12131	1.1
281.09354	1.1
281.12933	2.1
283.10849	2.1
291.11404	3.4
292.12186	1.0
293.09412	1.2
293.12802	0.6
295.10950	0.9
296.11325	0.4
301.11948	0.6
305.09265	0.5
309.08878	0.4
311.10349	1.3
311.14011	1.1
314.13110	0.5
321.08817	0.7
323.10376	3.4
324.11176	1.1
326.12997	0.3
328.10638	0.4
328.14371	0.5
329.11557	0.6
330.15976	0.5
332.17700	0.5
334.15704	1.5
335.10342	0.5
339.09863	0.9
340.10880	0.5
341.11465	1.2
342.12570	2.0
342.16187	0.7
343.13156	0.5
344.13867	0.5
344.17770	0.5
352.10992	0.7
354.12659	0.8
355.13156	1.0
356.14001	1.3
356.17877	0.4
357.14911	1.4
358.15582	0.6
359.12531	0.4
360.13437	0.5
368.13922	0.5
370.15674	2.2
372.13205	0.4
372.17282	2.1
374.14978	1.0
374.19022	0.4
375.16055	0.9
376.16653	2.1
382.15881	0.5
384.17303	0.8
385.14044	0.5
386.14828	0.6
386.19168	0.7
388.16687	2.9
390.18515	0.5
394.17715	0.5
397.14499	0.6
398.14883	0.7
400.16580	2.6
401.17529	0.5
402.18137	1.4
405.17078	0.4
406.18289	0.4
412.16772	1.8
413.17474	0.7
414.18378	0.9
415.18985	0.6
416.16016	5.3
418.17789	6.2
419.18588	0.8
420.19629	0.7
428.16211	0.7
430.17657	2.1
434.17212	3.3
442.17838	2.8
443.18396	0.9
446.17172	6.3
457.16534	1.1
459.17960	0.7
460.18851	1.9
463.17081	0.6
464.18372	3.3
469.16293	0.6
474.16467	2.1
475.17343	2.3
485.22232	0.4
486.16785	4.1
487.17514	3.3
495.23859	1.2
497.21957	0.7
504.17590	1.2
506.19336	0.9
509.21976	0.6
515.23047	0.5
518.19653	2.2
527.23151	0.7
530.21625	0.6
536.20386	5.1
537.25433	0.4
539.23016	1.7
543.22241	0.4
557.24036	1.0
571.23474	0.6
575.25446	0.6
581.23993	0.9
583.21747	1.1
599.24896	1.9
601.22791	0.7
603.24792	3.5
613.24072	0.5
615.24634	4.6
625.23566	1.5
631.25421	1.0
633.25781	12.6
643.24103	6.0
645.25385	1.7
657.26031	3.5
661.25299	4.0
663.26782	8.3
675.26758	29.4
693.27838	100.0
693.76648	0.8
694.28491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	0.3
85.02800	0.9
89.27899	0.3
89.33155	0.8
89.33718	0.6
91.72632	0.5
97.35047	0.3
99.00738	0.4
102.48615	0.3
107.01242	1.0
113.02309	1.2
121.02833	0.4
133.02820	6.2
147.50449	0.3
149.02344	1.0
151.00244	3.9
175.02475	0.4
175.03923	2.5
193.48549	0.4
197.06041	0.3
199.03940	2.0
201.01917	0.9
215.03485	0.4
217.04959	1.5
241.05054	1.0
243.02939	1.0
255.03053	0.6
256.03793	0.4
257.04593	0.7
283.02460	0.4
284.03223	1.0
284.90558	0.9
285.04050	100.0
286.04416	0.6
361.51764	0.3
387.76465	0.3
461.07275	43.3
479.08405	1.3
538.37219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04906	2.2
83.43694	0.6
83.54255	0.5
84.69718	0.6
85.02808	1.4
94.02814	1.5
95.01222	1.0
103.46162	0.6
104.04911	1.0
108.04428	3.3
110.11600	0.7
113.02293	1.7
117.03349	0.8
120.04413	13.6
122.05992	5.5
124.03931	1.1
132.04408	1.3
134.05975	1.1
136.03943	3.4
137.04651	1.0
138.05450	6.0
143.04924	0.8
145.02866	0.8
147.05460	1.2
148.03946	1.7
150.05487	12.7
152.07065	1.5
160.03943	1.6
163.00215	0.9
163.04979	0.8
168.06593	6.4
168.73552	0.8
168.74792	0.8
171.04437	1.0
174.05492	1.7
175.02451	0.8
175.05023	0.9
185.05981	1.4
187.03944	2.5
190.04999	2.4
201.10217	6.1
211.08765	0.8
211.29332	0.7
213.05446	4.1
213.10240	4.3
215.03514	0.8
217.09975	0.8
223.08778	1.0
224.09473	1.0
225.10301	1.4
227.11824	2.8
229.05060	1.0
229.09814	10.2
229.13434	2.7
229.79976	0.7
231.11331	1.7
235.08807	1.4
237.10362	1.3
239.11781	3.2
241.04984	3.7
241.09877	1.8
243.11266	1.4
245.09404	0.8
247.10814	1.4
249.06670	0.9
253.09811	1.0
255.03069	0.7
255.11197	3.9
257.04630	1.1
257.12982	2.3
261.12323	1.4
263.08145	1.7
265.06320	1.0
265.09763	2.1
267.11414	1.0
271.11020	1.0
273.12424	5.4
279.07944	0.9
279.11246	1.4
281.09473	2.2
281.13004	1.0
284.03152	1.8
285.04062	58.3
286.04425	4.1
289.11963	3.1
293.09378	1.5
295.10791	0.8
298.56494	0.9
301.11932	8.8
309.08640	0.8
309.12274	1.6
311.10379	4.7
317.11374	2.1
319.13022	35.4
321.08875	0.9
323.10321	1.5
327.13541	2.5
329.11646	1.4
330.12491	1.6
335.12479	5.4
339.09961	5.6
341.11435	1.1
346.15598	1.2
353.11478	0.9
355.09308	1.0
358.11758	1.2
359.12653	1.8
360.13171	1.0
371.12369	3.0
372.13501	1.7
373.14838	1.0
374.15134	7.2
386.11240	1.4
387.11899	0.9
391.15240	2.2
392.16183	11.0
394.40015	0.8
398.15250	0.8
400.12787	1.7
403.15155	1.0
416.16354	5.9
418.14081	1.3
431.14682	1.0
432.15680	2.6
433.16852	0.8
434.17126	7.2
446.17374	2.2
451.24609	0.9
459.18549	0.8
461.07303	26.9
462.07379	3.5
463.08270	1.4
471.30478	0.8
490.16595	1.0
525.21332	0.9
537.21771	1.0
543.22443	1.2
551.19348	1.1
555.22760	1.1
567.22272	1.6
569.23907	1.0
573.23920	2.4
585.23621	4.8
597.23676	6.9
615.24683	12.6
629.22498	5.1
641.22668	14.7
659.12006	1.3
659.23651	59.3
661.25348	6.7
673.25201	16.4
691.26263	100.0
692.26556	1.9
717.08569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04907	0.3
82.02824	0.2
83.01238	0.4
85.02806	0.7
87.00728	0.2
89.33233	0.1
94.02260	0.2
94.02839	2.6
94.06472	0.1
96.04411	0.2
97.02789	0.2
99.00747	0.4
103.00212	0.1
104.04948	0.2
106.06511	0.1
107.01243	1.3
107.03664	0.1
108.04412	1.0
110.05968	0.3
113.02303	0.8
117.01858	0.1
117.63499	0.1
120.04416	4.9
120.08045	1.8
121.02821	0.3
122.05980	1.1
125.00996	0.1
132.02036	0.2
132.04427	0.4
133.02817	6.6
134.05989	0.2
135.04478	0.1
136.03923	0.2
138.05487	3.0
143.04889	0.1
148.03920	0.2
149.02328	1.3
150.05492	3.6
150.06728	0.2
151.00256	4.2
152.07066	0.5
158.02344	0.1
160.03929	0.1
161.04756	0.1
162.05562	0.1
164.07045	0.3
168.06552	1.9
169.01253	0.1
171.04407	0.2
172.07585	0.1
173.05978	0.1
174.05438	0.2
175.02399	0.2
175.03888	3.0
177.01862	0.1
182.08340	0.1
185.06035	0.3
187.08669	0.1
190.05038	0.7
197.06017	0.4
197.10788	0.1
198.03062	0.4
199.03937	2.3
201.01845	0.8
209.10683	0.1
210.08072	0.1
211.04082	0.1
211.12512	0.2
212.04787	0.2
213.05525	0.5
213.10289	0.2
215.03401	0.4
215.11824	0.1
217.05011	1.7
221.10686	0.1
223.04007	0.3
223.08659	0.6
223.12337	0.1
224.09555	0.3
225.10242	0.4
226.02551	0.1
229.04997	0.2
231.11342	0.1
235.08774	0.2
235.12392	0.2
236.09464	0.2
237.10333	1.3
238.11064	0.4
239.03467	0.2
239.08179	0.1
239.11885	1.1
240.04271	0.1
241.05023	1.2
241.09985	0.1
243.02962	0.9
243.11400	0.2
249.06659	0.3
249.10387	0.4
250.07465	0.1
250.11064	0.1
251.08142	0.6
251.11902	0.8
252.12769	0.1
253.09834	0.2
253.13420	0.1
255.02991	0.8
255.11290	0.1
256.03833	0.7
257.04572	0.4
257.12936	0.1
261.10187	0.1
261.12558	0.2
262.07510	0.2
262.11353	0.1
263.08234	0.9
263.11810	0.3
263.14487	0.1
264.09006	1.6
265.09790	0.7
267.03082	0.3
267.11441	0.3
269.12903	0.1
271.11050	0.2
276.09055	0.4
277.09848	1.2
278.10486	0.8
279.11395	5.4
280.12122	0.4
281.09332	0.3
281.12900	0.3
283.02527	0.6
283.10736	0.1
284.03278	1.4
284.91739	0.9
285.04050	100.0
286.04388	0.9
291.08215	0.2
291.11322	1.4
292.12192	0.4
293.09402	0.3
293.12991	0.4
295.10632	0.1
299.05664	0.1
301.12073	0.1
303.13348	0.1
305.09247	0.2
309.08810	0.3
311.10385	0.7
311.13907	0.2
312.11569	0.1
321.08817	0.3
322.09479	0.2
323.10440	1.1
324.11163	0.6
326.12677	0.2
328.14822	0.1
330.16193	0.1
334.15607	0.3
335.10257	0.1
336.11108	0.1
339.09875	0.5
341.11435	0.2
342.12250	0.2
342.16101	0.1
354.16257	0.1
355.05136	0.1
355.13107	0.1
356.13977	0.2
357.14731	0.2
358.15863	0.1
368.13962	0.2
369.14795	0.1
370.15707	0.4
371.12534	0.2
372.17270	0.1
374.14951	0.2
374.19138	0.2
375.16125	0.1
376.16550	0.5
382.16205	0.1
384.17258	0.2
386.14874	0.2
388.16714	0.5
396.13303	0.2
397.14270	0.3
398.15042	0.2
399.07208	0.2
400.16641	0.5
402.18478	0.2
404.16205	0.1
412.16888	0.6
413.17456	0.2
414.13879	0.1
414.18484	0.3
415.19354	0.1
416.15894	0.5
418.17905	0.9
419.18030	0.1
424.16510	0.1
428.16223	0.2
429.16797	0.2
430.17856	0.7
431.18805	0.2
432.15741	0.2
434.17050	0.1
441.16992	0.3
442.17749	1.2
443.18677	0.3
444.15219	0.1
446.17529	0.5
447.17877	0.2
456.15619	0.2
457.16464	0.5
458.17487	0.2
459.18188	0.3
460.18903	0.5
461.07291	40.7
462.07660	0.5
468.15634	0.3
469.16470	0.3
474.16510	0.7
475.17532	1.1
479.08246	0.9
486.16644	1.5
487.17627	1.4
495.23737	0.2
504.17841	0.4
505.17853	0.2
506.19232	0.2
509.22018	0.2
518.19568	0.7
527.23218	0.1
535.19598	0.1
536.20441	2.1
539.23187	0.3
551.22107	0.1
557.24396	0.1
571.22064	0.3
581.24377	0.2
583.22253	0.5
599.25623	0.5
601.23065	0.5
603.24762	0.4
613.22955	0.3
615.24731	0.6
625.23425	0.6
631.24048	1.2
633.25793	3.1
643.24109	3.7
644.23828	0.1
645.25720	0.3
647.95551	0.1
657.25946	0.5
661.25256	6.8
663.26868	1.5
675.26831	5.6
676.27753	0.2
693.27838	22.6
694.28217	0.6
694.59143	0.1
930.92114	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	1155.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04914	1.5
82.02824	1.0
94.02840	20.7
94.06467	0.7
96.04401	2.2
104.04914	1.1
106.02834	2.1
107.03575	1.1
108.04409	9.8
110.05962	1.5
120.04414	10.4
120.08054	15.1
122.05982	9.8
124.03919	11.3
127.25668	0.6
132.04411	2.2
134.02402	0.7
134.05966	1.5
135.03120	1.1
136.03922	16.2
137.04689	1.5
138.05489	15.4
148.03934	12.5
150.05513	5.5
160.03940	2.2
160.07623	0.7
161.04686	1.0
162.05515	1.1
164.03453	0.8
164.07060	1.7
166.04979	9.8
172.07619	0.9
174.05496	1.7
175.05179	0.8
186.05516	0.7
187.08687	0.8
188.07121	0.8
190.05022	5.0
197.07161	0.7
206.04576	0.7
210.07838	0.8
211.08748	2.7
211.12318	0.9
213.10286	1.3
215.11839	1.3
217.09764	1.3
221.10789	1.7
222.07932	0.8
223.08682	4.0
224.09584	1.7
225.06497	1.0
225.10263	2.0
226.07542	0.6
227.08267	1.0
229.09865	0.9
233.07153	1.4
234.07910	0.9
235.08678	3.5
235.12350	1.5
236.09630	1.3
237.06651	1.0
237.10307	8.0
238.11122	2.9
239.08215	2.7
239.11848	4.8
240.09117	0.8
241.09819	2.1
243.07785	0.7
248.09526	0.7
249.06596	3.5
249.10411	3.3
250.07239	1.1
250.11172	0.8
251.08282	5.7
251.11871	4.9
252.09052	1.0
253.09764	2.3
259.10809	0.8
261.06735	1.9
261.10306	2.0
262.07437	2.4
263.08270	9.9
263.11862	2.1
264.09039	13.9
265.06073	0.7
265.06976	0.7
265.09842	5.8
266.10638	1.0
267.07803	2.7
267.11313	2.3
268.12796	0.7
269.04749	3.1
269.09360	1.1
275.08472	1.5
276.09003	2.5
277.06689	0.9
277.09805	10.8
278.07126	1.7
278.10620	7.1
279.07797	5.4
279.11371	33.8
280.08600	0.7
280.12192	1.9
281.09387	1.8
281.12976	2.5
283.10818	1.6
285.08954	0.7
289.06445	0.8
289.09842	1.5
290.10562	2.4
291.07791	4.1
291.11398	9.9
291.24637	0.6
292.12131	2.5
293.09290	2.5
293.12936	1.8
294.09967	1.0
295.07233	2.5
295.10861	1.7
297.08813	2.2
303.13400	1.4
305.09265	4.7
307.07257	3.3
307.10638	1.2
309.08719	1.7
311.10556	1.2
311.13940	0.8
314.12857	0.9
317.09232	0.9
319.07275	2.1
319.13315	0.9
321.08954	2.5
323.10342	3.8
324.11221	2.8
327.09915	1.8
328.10864	1.0
328.14545	1.7
329.15155	0.8
330.16150	0.9
334.15652	2.2
336.11246	0.8
337.08261	1.3
339.09796	1.4
340.10812	2.2
341.11743	1.3
342.12476	3.5
342.16031	1.2
344.14001	1.4
354.12497	4.4
355.13440	4.2
356.14066	4.3
357.14917	2.5
358.11703	0.9
358.15646	2.0
360.13474	1.6
368.10181	0.9
368.14047	4.1
369.15015	2.1
370.11810	2.0
370.15662	6.9
371.12384	1.1
371.16467	1.9
372.13263	1.5
372.17166	3.1
374.15106	4.6
375.16238	0.9
376.16672	4.1
380.10318	0.8
381.11084	1.2
382.11810	3.2
382.16159	0.9
383.12662	2.0
384.13394	3.6
384.17490	1.5
385.14200	1.1
386.15143	3.6
387.15988	1.0
388.16553	2.1
395.12610	1.3
396.13489	4.3
396.17920	0.9
397.14120	1.6
398.09937	1.2
398.15100	14.2
399.15936	5.6
400.17059	3.8
401.13687	0.8
402.14655	2.3
404.16348	1.2
408.13611	0.7
410.15372	3.1
411.15994	3.2
412.16855	7.2
413.17517	4.9
414.14478	1.7
415.15512	1.0
416.16391	4.7
417.17044	1.1
418.18091	1.5
420.15567	2.0
422.15439	1.4
423.16028	1.0
426.14490	2.4
427.15137	1.5
428.16266	2.9
429.16791	1.2
430.13846	1.9
431.14862	2.3
432.15613	2.0
439.15909	0.9
440.16214	10.4
441.17023	7.8
442.13651	3.2
443.14850	6.4
444.15500	1.9
445.07751	1.1
445.16330	1.1
451.21512	1.4
455.14819	2.4
456.15839	1.8
457.16699	2.9
459.18674	0.7
460.15109	2.4
461.15726	1.0
462.16742	1.5
467.14658	1.2
467.21027	1.1
472.14716	3.7
473.15857	3.9
474.16928	1.2
480.17596	1.0
484.15259	2.7
485.15762	4.8
492.17776	4.5
493.22308	1.3
495.20316	3.5
502.16580	0.8
504.17682	1.8
507.20352	1.5
509.21747	1.9
513.21503	1.3
516.17847	3.1
525.21423	1.6
527.19238	0.9
530.53442	0.9
534.18976	6.1
537.21490	5.4
539.19342	1.3
551.20459	1.9
552.20001	7.0
553.20953	1.3
555.22559	2.2
557.20221	1.6
567.22266	1.3
569.20770	1.9
571.21906	0.7
579.22351	2.0
581.20770	6.7
583.21014	0.9
587.21576	1.1
589.23163	5.3
593.20923	0.9
597.23029	3.2
599.21631	7.9
601.23102	2.4
611.21411	2.5
613.23267	8.0
617.22571	15.3
619.24445	2.3
623.21277	4.2
629.22424	5.5
631.13702	0.9
631.24109	19.0
635.23566	1.5
641.22620	22.2
643.24011	1.5
647.23932	0.9
649.25183	50.9
655.23926	3.0
659.23663	21.1
661.24744	4.5
673.25183	33.8
677.24841	12.1
679.26324	6.6
691.26263	60.6
709.27344	100.0
710.28003	1.7
993.53021	0.8
1103.35767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
79.88251	0.1
80.04919	0.2
82.02841	0.2
83.01245	0.4
85.02819	0.7
87.00722	0.2
89.02354	0.1
89.33231	0.1
92.04871	0.1
94.02840	2.8
94.06495	0.2
95.01238	0.3
96.04395	0.3
97.02812	0.2
99.00735	0.3
104.04903	0.1
105.03305	0.1
106.06494	0.1
107.01249	1.1
108.04420	1.0
110.05978	0.3
111.83726	0.1
113.02298	0.7
115.00247	0.1
117.01787	0.1
120.04419	5.6
120.08057	2.3
121.02813	0.3
122.05988	1.1
132.02069	0.2
132.04411	0.3
133.02821	6.3
134.05992	0.3
135.04353	0.1
136.03928	0.3
138.05492	3.3
143.04866	0.1
147.04393	0.1
148.03922	0.2
149.02345	1.4
150.05498	3.9
151.00259	4.2
152.07079	0.6
158.02374	0.1
160.03938	0.3
162.05502	0.1
164.07043	0.3
166.04977	0.1
168.06572	2.1
168.08018	0.1
169.06496	0.2
171.04419	0.3
173.06012	0.1
174.05495	0.2
175.02409	0.3
175.03900	2.8
185.06027	0.3
189.05457	0.2
190.05019	0.7
197.06042	0.3
198.03139	0.3
199.03937	2.5
201.01802	0.8
201.10196	0.1
202.81262	0.1
209.11017	0.1
211.04051	0.1
211.08685	0.2
211.12323	0.1
213.05504	0.6
213.10265	0.3
215.03467	0.3
215.11855	0.2
217.05028	1.5
221.10936	0.2
223.03960	0.3
223.08691	0.6
223.12242	0.1
224.09447	0.3
225.10231	0.5
226.02762	0.1
229.05045	0.2
229.09816	0.2
231.11292	0.1
235.08749	0.3
235.12349	0.2
236.09529	0.3
237.10298	1.5
237.14035	0.2
238.11052	0.5
239.03613	0.2
239.11874	1.0
240.04260	0.3
241.05032	1.2
242.01987	0.2
243.02986	0.9
243.11366	0.3
249.06635	0.4
249.10361	0.5
250.07367	0.1
251.08223	0.5
251.11897	0.8
252.12810	0.1
253.09755	0.2
253.13490	0.3
255.02921	0.7
255.11302	0.1
256.03790	0.5
257.04602	0.4
261.10138	0.2
261.12573	0.2
262.07565	0.3
263.08209	0.8
263.11932	0.3
264.09036	1.7
265.07010	0.1
265.09827	0.8
265.13422	0.1
266.10501	0.1
267.02930	0.4
267.11374	0.3
271.10986	0.1
275.08304	0.1
276.09097	0.4
277.09851	1.3
278.07565	0.1
278.10602	0.9
279.11401	5.5
280.12170	0.4
281.09384	0.3
281.12958	0.4
283.02545	0.5
283.10925	0.3
284.03287	1.1
285.04056	100.0
286.04419	1.4
291.11383	1.5
292.12326	0.4
293.05853	0.1
293.09360	0.3
293.12930	0.2
295.10931	0.2
301.11929	0.1
303.13321	0.1
305.09225	0.3
306.09885	0.1
309.08740	0.3
311.10345	0.6
311.14029	0.2
319.12994	0.3
320.13464	0.2
321.08853	0.3
322.09598	0.2
323.10394	1.3
323.13855	0.2
324.11060	0.5
325.11932	0.1
326.13104	0.1
328.14633	0.2
329.11316	0.2
332.17789	0.1
334.15680	0.3
335.10690	0.1
336.11127	0.2
339.09879	0.6
340.10623	0.1
341.11502	0.3
342.12314	0.3
342.16220	0.1
344.17749	0.1
353.11224	0.2
354.12253	0.2
355.13174	0.2
356.14130	0.2
357.14807	0.2
358.15619	0.2
360.13281	0.1
369.14822	0.1
370.15628	0.3
371.12506	0.3
372.13123	0.2
372.17172	0.3
374.15134	0.3
375.15823	0.2
376.16669	0.6
382.11823	0.2
384.13217	0.1
384.17331	0.3
385.17990	0.1
386.14920	0.2
387.15744	0.1
387.20355	0.1
388.16980	0.4
396.13116	0.2
397.14172	0.3
398.14905	0.3
399.07303	0.1
400.16858	0.5
402.14145	0.2
402.18375	0.2
411.16229	0.1
412.16956	0.7
413.17554	0.3
414.18384	0.3
415.19107	0.1
416.15961	0.5
417.16983	0.1
418.17847	0.8
419.18802	0.1
420.15710	0.1
430.17972	0.7
432.15515	0.2
434.17133	0.3
439.15497	0.1
440.16339	0.1
441.16867	0.3
442.17841	1.3
443.18582	0.3
446.17319	0.5
447.17972	0.2
457.16626	0.4
458.17419	0.2
459.17880	0.4
460.18948	0.5
461.07294	38.5
462.07843	0.6
463.17743	0.1
468.15698	0.2
469.16476	0.3
474.16281	0.7
475.17404	1.1
479.08298	1.2
480.17529	0.2
486.16772	1.2
487.17593	1.7
492.17334	0.1
495.23999	0.2
504.17850	0.5
506.19324	0.3
509.22171	0.1
518.19409	0.5
521.22192	0.1
527.22925	0.2
536.20404	2.2
539.23102	0.5
551.22839	0.1
557.24658	0.1
569.23798	0.1
571.22156	0.3
581.24005	0.3
583.22296	0.5
595.22327	0.1
599.25165	0.6
601.22968	0.7
603.24304	0.4
607.21729	0.1
613.23303	0.3
615.24530	0.8
616.24664	0.1
625.23114	0.5
631.24084	1.0
633.25751	3.4
642.23035	0.1
643.24103	4.1
645.25446	0.2
657.26416	0.5
659.23639	0.3
660.24011	0.3
661.25238	7.5
662.25775	0.2
663.26788	1.5
674.26038	0.1
675.26788	5.7
676.27502	0.2
691.26904	0.4
692.26318	0.6
693.27832	24.0
694.28644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02831	0.7
84.53036	0.4
94.02841	9.5
96.04382	0.7
104.47159	0.5
106.06441	0.7
107.03617	0.4
108.04415	3.4
110.05978	0.9
120.04418	23.0
120.08025	3.6
122.06004	3.6
132.04448	0.6
134.06003	0.9
136.03932	1.1
138.05493	12.3
148.03951	0.6
150.05489	14.0
152.07014	1.4
155.37256	0.4
160.03915	1.0
164.07079	0.6
168.06563	8.2
171.05293	0.5
174.05441	0.7
188.03447	0.5
190.05022	0.9
211.12439	0.7
213.10237	1.0
215.11789	0.6
221.10693	0.6
222.07993	0.6
223.08751	4.3
224.09464	2.1
225.10269	1.8
227.11797	0.4
235.08698	0.8
235.12415	1.2
236.09442	0.5
237.10303	8.2
238.11116	2.0
239.11884	8.3
239.14212	0.3
243.11224	0.6
249.06667	0.6
249.10339	0.6
250.07420	0.8
251.08188	1.6
251.11916	3.1
253.09908	0.6
261.12723	0.5
263.08194	2.0
263.11810	0.6
264.09073	4.0
265.09827	2.0
267.11249	0.9
271.10834	1.3
276.09055	0.7
277.09824	2.8
278.10635	2.5
279.11395	18.0
280.12006	1.0
281.09552	0.7
281.12918	1.4
283.10876	2.0
290.10471	0.5
291.08432	0.6
291.11462	3.6
292.12250	1.2
293.09360	0.8
293.12717	0.9
295.10934	1.1
301.11948	0.6
303.13531	0.6
305.09286	1.1
309.08862	0.6
311.10364	1.1
311.13794	1.0
314.13269	0.5
323.10468	3.5
324.11127	0.6
328.14658	0.6
329.11737	0.5
333.14752	0.6
334.15598	1.5
335.12488	0.5
339.09940	0.8
341.11398	0.6
342.12350	1.6
343.12842	0.5
344.17743	0.7
352.11115	0.5
354.12418	0.5
355.13098	1.0
356.14017	1.6
356.97260	0.5
357.14819	1.2
358.15854	0.7
360.13144	0.6
370.15659	2.0
371.16626	0.6
372.17145	1.7
374.14737	0.9
374.19003	0.6
376.16693	1.8
384.17181	0.7
385.14044	0.5
386.19113	0.6
387.15701	0.5
388.16779	2.4
394.17795	0.7
397.14346	0.6
398.14771	0.6
400.16583	2.5
402.18234	1.3
412.16806	2.4
413.17645	0.8
414.18607	0.9
416.16113	4.9
418.17697	7.3
419.18451	0.7
428.15945	1.1
430.17853	2.5
434.17072	2.4
441.16824	0.7
442.17804	2.8
446.17291	7.9
457.16495	1.1
460.19104	2.0
463.17691	0.9
464.18121	2.8
469.16467	0.5
474.16537	2.0
475.17432	1.8
485.21030	0.5
486.16769	3.1
487.17441	3.8
495.24033	0.8
501.21298	0.5
504.17816	1.1
506.19467	1.4
509.21710	0.9
515.23444	0.7
518.19122	1.9
536.20453	3.7
539.22937	1.2
557.23901	0.8
569.23383	0.5
571.24164	0.5
575.25348	1.3
581.23761	1.0
583.21906	1.9
599.25031	2.0
601.23224	1.2
603.24628	2.0
613.24426	0.6
615.24658	4.7
625.22821	1.5
631.25970	0.7
633.25867	11.0
643.24005	4.6
645.25775	1.8
657.25415	3.0
661.25354	3.4
663.26752	7.3
675.26794	25.5
676.27576	0.6
693.27838	100.0
694.28174	1.8
837.81116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
94.02851	3.9
100.60433	0.9
106.06460	1.0
106.64629	0.8
107.01248	1.1
108.04431	5.2
113.02332	0.8
113.87236	0.8
114.18846	1.0
120.04433	7.3
120.08085	1.6
122.05968	6.6
124.03918	6.7
132.04437	1.5
133.02815	6.0
133.72266	0.9
136.03902	7.7
136.07500	1.0
138.05475	5.8
148.03928	4.4
149.02315	2.2
150.05505	8.1
151.00276	3.7
160.04004	1.4
161.03494	1.2
166.04977	6.4
168.06557	2.3
174.05533	2.1
175.03809	2.1
176.05922	0.8
190.05003	3.8
199.03967	2.5
201.10219	8.0
211.08733	2.0
212.09511	1.1
213.10284	7.3
217.05026	1.7
217.09798	2.4
223.08656	1.8
224.09480	1.4
227.11897	3.0
229.09811	13.9
229.13284	4.7
233.07303	1.1
235.08762	2.6
237.06789	1.2
237.10345	2.6
239.11867	6.6
241.04982	1.4
241.09805	4.3
247.10992	1.3
249.06694	1.7
251.08252	3.3
253.09950	1.4
255.11349	5.5
257.12982	3.6
261.06802	1.1
262.07556	1.0
263.08347	5.0
265.06146	1.6
265.09824	3.1
267.07733	2.9
267.11331	2.3
272.14175	1.2
273.12610	5.2
277.06201	2.9
277.09509	1.9
278.06979	2.3
278.10480	1.1
279.07770	5.5
279.11353	4.0
281.09528	1.5
281.12732	1.1
285.04056	79.9
286.04468	2.6
287.04919	0.9
289.06287	1.7
289.12097	2.0
291.07782	6.5
291.11169	1.8
293.09448	1.2
295.07217	3.9
295.10657	1.0
297.08954	2.1
301.03604	1.2
301.11932	12.4
305.09372	1.3
307.07156	4.2
309.09128	1.8
309.12225	1.3
311.10385	1.3
317.11374	1.6
319.07132	2.8
319.12997	49.6
320.13330	1.2
321.08795	2.4
327.09872	2.7
327.13522	3.5
330.12451	1.8
335.12665	1.9
336.13370	1.2
337.08356	3.0
339.10004	1.5
342.12393	2.0
344.14105	1.6
355.09460	1.3
356.14282	1.5
358.12122	1.7
369.11041	2.6
370.11951	1.4
371.12708	1.4
372.13577	3.2
373.14526	1.4
374.15170	6.6
384.13464	1.4
386.11389	2.3
386.15588	1.5
387.12051	1.1
391.14877	1.8
392.16229	12.4
397.14026	1.3
398.15155	1.4
401.13654	1.1
402.14694	1.3
416.16241	6.2
418.14206	3.1
428.16006	1.7
432.15598	4.1
434.17297	6.8
446.17267	2.7
461.07336	23.9
478.16205	1.3
487.17447	1.7
493.18692	2.6
523.19849	2.2
525.20984	2.7
529.21088	2.2
535.20056	2.3
541.21002	2.6
550.18634	1.4
553.21210	5.5
565.20813	3.2
567.21930	1.2
571.22113	5.2
583.21796	3.4
595.22156	7.2
597.20227	2.1
609.19940	4.1
611.21545	2.5
613.23224	8.3
615.20978	14.8
617.22559	1.2
627.21295	4.2
629.22992	3.3
631.24219	3.0
633.23840	1.3
639.21008	20.0
643.24432	1.3
645.22681	3.6
647.23694	24.4
657.22125	26.5
659.23688	4.3
662.25079	1.5
663.26886	1.6
671.23871	21.3
675.23151	32.5
676.25421	1.6
677.24701	7.5
689.24689	46.3
690.25067	1.5
693.27881	7.0
694.28265	5.1
695.28717	2.4
706.24982	1.9
707.25751	100.0
708.26123	3.4
1167.24353	1.3
1185.19531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
80.67029	1.1
81.20707	0.9
94.02842	4.6
104.04969	1.8
108.04414	4.2
120.04414	20.1
122.05981	3.3
124.03860	1.7
132.04378	1.6
134.05978	1.8
136.03926	1.6
138.05484	8.9
148.03937	1.4
150.05499	14.2
152.07085	2.1
155.28424	1.1
168.06621	5.9
174.05534	2.5
188.07085	1.4
190.04936	1.4
201.10271	3.3
213.10275	3.7
225.10574	1.5
227.11998	1.5
229.09833	5.1
229.13432	2.0
237.10349	2.0
239.11914	4.6
243.11320	1.7
249.10323	2.2
250.07558	1.4
251.08415	2.2
252.09094	1.5
253.09819	3.1
255.11345	3.2
257.13025	1.5
261.12479	2.0
263.08316	3.2
265.06067	1.7
265.09824	4.8
267.11395	3.1
273.12463	2.0
276.09094	1.8
277.06509	1.3
277.09793	2.8
278.07095	3.7
278.10498	3.1
279.07837	5.2
279.11057	2.2
281.09396	2.2
291.07892	2.0
293.09323	15.9
294.10114	4.5
295.10980	3.8
301.12003	4.6
307.10767	1.5
309.09119	2.4
309.12405	2.7
311.10364	2.1
319.13025	19.8
321.08865	2.3
323.10165	1.5
327.13339	2.6
329.11752	1.3
337.08267	9.1
339.10004	5.0
341.11533	1.7
353.11612	1.6
362.15222	1.4
371.12555	1.5
374.15109	5.0
386.15262	2.0
392.16199	5.4
400.12662	2.0
416.16251	5.2
417.77667	1.4
428.16202	3.7
429.17242	1.2
432.15558	2.0
433.16403	1.8
434.17218	4.7
444.15485	1.7
445.16586	2.1
446.17130	1.9
457.16269	2.3
458.17065	2.4
474.15952	1.4
475.17215	1.8
484.14984	1.5
490.16144	3.2
501.15424	5.7
502.16211	7.6
504.17444	1.4
516.17725	3.2
519.16113	1.4
525.21741	1.7
548.20709	2.9
566.21106	9.3
585.23920	2.7
597.23773	4.8
615.24847	2.9
623.21802	1.5
629.25171	2.3
641.23053	6.3
659.23511	10.1
661.25079	8.4
663.27155	2.7
673.25214	28.8
691.26263	63.9
692.27167	3.0
693.27905	8.8
705.27771	12.0
723.28906	100.0
724.30377	2.2
960.41693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76466	0.1
53.89881	0.2
55.01759	0.2
72.02146	0.2
73.01206	1.8
73.02805	100.0
73.04659	0.9
74.03138	0.9
98.98160	0.2
99.00735	8.2
99.92423	0.3
116.92714	0.7
117.01801	17.9
121.17799	0.2
124.87767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34263	0.2
55.01742	0.2
59.01247	0.2
59.26799	0.1
62.59363	0.2
64.64567	0.1
71.01234	0.2
72.00753	0.3
73.00950	0.9
73.02805	100.0
73.04405	1.8
74.02319	0.5
74.03143	1.0
99.00739	8.3
104.38065	0.2
117.01801	17.5
117.07337	0.2
118.02168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
86.38876	0.7
94.02852	1.0
97.00145	0.7
104.04922	0.8
108.04422	2.8
109.27288	0.7
112.93490	0.9
113.14757	0.8
120.04420	15.1
122.05976	5.4
124.03905	1.2
132.04442	1.0
134.05998	0.9
136.03918	3.7
138.05496	6.3
147.05502	1.3
148.03917	1.8
150.05478	9.8
152.07027	1.8
168.06578	6.5
174.05469	1.3
175.04993	1.3
176.05865	1.1
190.05029	1.8
201.10274	7.0
211.08711	1.5
213.10287	4.5
223.08852	1.8
225.10355	1.2
227.08125	1.1
227.11874	2.2
229.09761	9.6
229.13420	3.7
231.11317	1.7
235.08728	1.2
239.11928	3.4
241.09822	1.9
243.11401	2.3
246.33537	1.1
247.10887	2.0
255.11418	3.6
257.13007	2.0
261.12552	1.7
263.08441	1.0
265.09772	2.2
267.11343	1.6
273.12427	1.9
277.09927	1.4
281.09424	1.3
289.11981	2.4
291.07980	1.4
293.09293	1.1
299.10550	1.7
301.11996	8.3
309.12503	1.6
311.10333	3.9
315.10522	0.8
316.11130	1.1
317.11441	3.9
318.11929	1.8
319.13019	40.7
321.08844	1.7
323.10559	1.1
327.13605	2.8
329.11533	1.7
330.12476	1.4
332.14072	1.2
339.09824	6.8
341.11795	1.1
344.14005	1.1
354.12247	1.0
356.14355	1.0
358.12289	1.8
360.13379	0.9
371.12503	4.8
372.13574	1.8
373.14355	1.5
374.15198	6.4
386.11307	1.1
391.15213	1.0
392.16196	11.7
400.13049	1.9
403.15515	1.0
414.15018	1.1
416.16272	5.2
428.15915	1.2
432.15723	3.2
433.16669	1.4
434.17307	7.5
446.17160	2.6
478.16348	1.1
555.22461	1.5
567.22833	3.0
573.23993	2.2
585.23633	4.7
597.24011	6.2
599.22272	1.3
615.24689	11.5
629.22852	4.5
641.22760	11.8
659.23663	54.6
660.24194	1.1
661.25293	7.3
673.25311	17.1
691.26251	100.0
692.26593	1.0
855.18628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01185	0.5
93.03313	2.7
94.02857	2.0
104.74110	0.6
108.02020	1.4
121.02821	100.0
122.02327	2.1
122.03168	1.7
123.76414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96523	0.1
65.03824	0.2
67.09227	0.1
72.62121	0.1
80.11247	0.1
82.92236	0.1
91.01743	0.8
92.02544	1.2
93.03310	1.8
94.02836	0.5
95.01237	0.4
108.02039	2.0
120.02052	0.9
120.99221	1.2
121.02821	100.0
122.02363	0.2
122.03149	2.5
138.36575	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	125.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.3
65.62994	0.4
67.01746	1.1
69.03306	4.0
70.59329	0.4
81.03311	9.5
81.76668	0.5
83.01260	1.1
83.02974	1.7
83.04878	100.0
83.07052	0.9
84.05213	1.4
97.02805	4.3
97.06429	1.0
98.00597	0.5
107.04878	0.7
124.01527	0.8
124.98681	0.6
125.02320	27.0
125.05939	2.6
126.02650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42358	0.2
57.03313	3.0
67.01743	0.7
69.03313	1.7
81.03313	7.8
81.03783	0.4
83.01258	0.3
83.02734	1.3
83.04878	100.0
83.06744	1.3
84.05223	1.4
91.72772	0.4
96.99154	0.3
97.02802	1.7
99.99009	0.2
107.01245	0.4
107.04904	0.9
125.02316	15.5
125.05943	2.0
126.01880	0.2
127.21059	0.2
144.02472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.034
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
50.65821	0.5
50.73603	0.5
55.01752	0.9
57.03301	2.2
59.01234	1.7
65.21233	0.7
67.01733	2.7
68.07240	0.6
68.99669	1.0
70.92824	0.6
71.01229	1.2
72.05165	0.7
72.99160	1.7
73.02798	2.7
82.02854	3.3
82.03675	0.6
82.64835	0.8
82.88301	0.6
83.01264	1.3
83.04881	0.7
84.04401	2.1
85.02803	25.7
86.03126	2.1
87.00729	2.2
91.77895	0.6
95.64818	0.6
99.00729	3.3
100.04745	1.0
101.02315	1.8
103.90213	0.6
107.47848	0.6
110.03137	1.2
111.00717	1.0
113.64832	0.6
127.99537	1.3
128.03404	100.0
128.04164	5.0
128.06975	2.1
129.01799	5.5
129.03737	1.9
129.05458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58408	0.3
53.54235	0.3
55.01740	0.5
55.20713	0.4
57.03302	1.5
57.78856	0.4
59.01252	0.9
59.89009	0.5
63.41374	0.4
67.01739	1.8
67.93993	0.4
68.00449	0.4
68.99676	0.4
71.01226	0.8
72.99168	1.2
73.02805	1.7
85.00629	1.3
85.02804	100.0
85.04699	1.3
86.03146	1.2
87.00712	1.2
88.03882	1.9
90.21064	0.4
90.21626	0.4
99.00732	0.8
101.02323	1.0
107.47948	0.4
111.00797	0.9
112.03941	0.4
129.01797	7.8
129.03769	1.3
129.05435	0.6
130.08615	32.3
145.12607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.2
55.85636	0.2
57.03313	0.6
60.44633	0.2
67.01743	0.8
83.86373	0.2
85.00639	1.4
85.02806	100.0
85.04676	1.5
86.03140	1.2
110.53654	0.3
129.01808	6.1
129.03769	0.3
134.61650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	8.3
57.50167	1.9
59.01233	6.1
67.01744	7.0
68.99661	3.6
71.01227	3.6
71.41194	2.3
72.99161	5.0
73.02805	12.3
83.01231	2.8
83.04879	6.7
85.02811	72.9
85.06435	6.0
87.00722	2.9
88.03909	3.1
99.04393	16.5
101.02316	13.1
101.05928	3.1
111.00745	3.3
111.04378	2.7
128.90056	3.9
129.01828	17.4
129.02837	3.2
129.03842	26.6
129.05444	100.0
130.08615	64.7
134.71979	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	130.086
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
57.03316	2.7
58.02843	0.9
59.01229	2.5
68.04906	0.8
69.03322	0.8
69.36150	0.5
71.01227	2.2
73.02802	10.8
75.00725	1.8
77.20770	0.5
83.01234	0.9
85.02804	7.9
86.03136	4.3
86.05947	1.3
87.04369	2.2
88.03895	5.8
88.38721	0.5
89.55603	0.5
101.02301	2.3
112.03913	1.3
113.02306	3.3
117.19691	0.7
130.05058	1.7
130.08612	100.0
131.03360	2.6
131.08963	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	131.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83051	0.3
57.03308	0.6
58.02554	0.6
58.02841	10.0
59.01233	0.6
65.73860	0.2
70.01190	0.7
70.02837	54.7
70.04308	0.8
70.50757	0.3
71.00780	0.3
71.01243	6.2
71.02361	14.2
71.03175	0.6
71.03870	0.3
71.99072	0.3
72.00764	22.1
73.02800	2.9
73.41434	0.2
75.00721	0.5
85.02806	2.5
85.03925	0.8
86.02349	0.8
87.04378	0.4
87.05488	0.8
88.03896	13.7
88.05920	0.3
89.03420	1.4
95.02366	25.5
96.00758	1.9
96.02657	0.3
97.01578	0.3
101.02307	0.8
111.01869	5.4
113.00062	0.6
113.03432	61.9
113.06434	0.7
113.98369	1.1
114.01832	100.0
114.04862	1.0
115.00219	2.8
115.01485	0.3
115.02129	1.4
131.03470	0.9
131.04497	19.8
131.08154	1.2
132.02895	4.4
134.37883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.8
59.01248	5.8
59.98381	0.6
60.99152	1.3
61.10038	0.6
66.44637	0.6
68.87685	0.5
68.99671	1.6
69.03304	2.7
70.02837	3.1
71.01238	8.0
71.02355	0.8
72.00768	1.8
72.99161	1.5
73.02806	18.4
75.00724	4.6
83.01246	1.6
85.02807	16.7
85.06445	43.3
86.06780	0.7
87.04372	17.5
88.03883	0.8
95.02354	1.6
99.00744	0.8
101.02296	5.2
101.05936	6.8
103.07519	4.2
108.10881	0.6
111.96745	0.5
113.02314	4.8
113.03435	5.1
113.05981	1.4
113.99219	0.6
114.01853	5.5
129.05470	1.3
131.03380	10.9
131.07016	100.0
131.08963	8.3
131.10994	1.3
131.80841	0.6
132.07350	2.0
137.53761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0289
Annotation	D-Aspartic acid
Peak:m/z	Relative Intensity
59.01235	1.3
66.27108	0.3
70.02840	1.5
71.01239	34.0
71.02810	0.6
71.03176	0.8
72.00762	8.3
72.99166	3.9
73.01118	0.5
78.95758	0.8
88.01444	0.8
88.03896	100.0
88.06019	1.6
89.02290	2.1
89.03422	11.2
89.04259	1.0
96.02699	0.3
96.96816	1.7
112.16563	0.3
114.01838	5.5
114.03071	0.4
114.03788	1.6
115.00237	51.9
115.02043	2.8
115.03436	0.7
125.50603	0.4
132.02902	31.8
133.01312	7.7
133.03299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.8
65.00470	0.2
67.23926	0.2
70.99514	0.8
71.01240	62.5
71.02776	1.0
72.00764	0.2
72.01580	1.0
72.99164	15.2
73.00761	0.2
78.95758	0.8
87.00745	1.4
87.04416	0.3
88.03911	0.4
89.02296	7.7
89.04226	1.2
96.96815	1.9
98.20768	0.2
114.96678	1.1
115.00237	100.0
115.03429	1.4
116.00580	1.7
116.02248	0.3
123.51211	0.2
123.52275	0.2
132.96956	0.3
133.01303	28.1
133.05098	0.5
134.01625	0.3
147.38431	0.2
154.33339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85319	0.3
59.01235	1.1
59.30230	0.3
62.50450	0.3
63.78446	0.4
70.99490	0.8
71.01237	67.1
71.02790	1.2
72.01582	0.8
72.99164	14.9
75.66930	0.3
81.01030	0.4
86.66719	0.3
87.00722	1.7
89.02296	7.0
96.96828	0.7
100.16275	0.4
112.50896	0.4
115.00233	100.0
115.03417	1.5
116.00565	1.6
130.00427	0.4
133.01303	27.8
133.05023	0.8
150.79913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93740	0.3
59.01241	1.5
63.30148	0.3
63.89357	0.3
69.13552	0.3
69.41684	0.3
71.01237	60.6
71.02831	1.0
72.01563	0.3
72.99163	14.6
85.20151	0.3
87.00736	1.5
89.02296	7.8
96.96819	0.7
103.63143	0.3
108.59380	0.3
115.00233	100.0
115.03517	1.3
116.00537	1.5
121.38033	0.3
133.01303	26.3
141.93109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.046
Annotation	Adenine
Peak:m/z	Relative Intensity
59.01236	0.3
59.66428	0.3
65.01303	1.2
68.02404	0.4
71.01230	1.1
72.01570	2.0
72.54044	0.3
72.99158	0.4
73.99500	0.6
75.00723	1.4
83.68304	0.3
86.23560	0.3
87.04366	0.3
89.02297	0.5
91.72647	0.3
92.02401	5.6
99.92431	1.1
106.04086	0.7
107.03498	25.2
107.04839	2.4
108.03835	0.6
113.92647	0.3
113.98499	0.4
114.82102	0.4
116.00571	3.3
134.00577	1.2
134.04597	100.0
134.86404	1.8
134.89343	10.3
135.02870	0.7
135.03358	0.4
135.04254	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	136.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95285	1.0
57.31531	0.9
65.99718	1.0
66.03316	1.0
67.02868	1.0
83.65433	1.0
89.91464	0.9
91.25105	1.1
92.02536	1.9
92.04911	10.9
93.03316	100.0
93.05753	1.4
94.02850	3.1
94.03642	2.5
95.01247	5.0
103.22102	1.1
108.02024	46.2
108.04404	4.3
108.05155	2.1
109.02890	1.5
109.03954	1.6
119.48540	1.0
135.89349	11.3
136.01538	57.9
136.03877	11.1
136.04770	12.5
136.07498	1.3
136.52710	1.0
136.89059	11.5
137.02336	32.4
137.03351	1.7
140.93930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0232
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
53.11205	0.3
63.18030	0.3
65.03830	1.7
66.03378	0.3
67.01749	0.7
67.26859	0.9
81.03316	1.8
91.01760	0.7
93.00898	1.5
93.03316	100.0
94.02843	1.7
94.03634	1.6
95.04939	0.4
105.00169	0.3
108.02018	3.3
108.04433	0.6
109.02116	0.6
109.02816	7.5
109.03972	0.4
119.01241	0.4
121.61057	0.3
122.03557	0.8
123.59985	0.3
136.01537	4.9
136.86258	0.5
136.89064	5.2
136.97983	0.9
137.02327	75.5
137.06013	3.9
138.02675	1.5
138.05450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14171	1.3
55.01751	8.8
55.73299	1.2
57.03316	26.0
58.00473	2.4
58.02839	8.7
59.01243	23.4
59.66508	1.6
63.75533	1.3
67.01752	2.8
68.99677	4.7
69.03313	31.3
70.99621	2.2
71.01237	100.0
71.04877	5.3
72.01602	1.9
72.99178	8.5
73.02800	22.6
81.03311	10.3
83.01238	16.0
84.02011	1.9
85.02804	90.5
87.00729	36.0
87.03842	2.4
87.04369	47.5
91.71205	1.4
95.01259	3.8
97.02811	29.7
99.04366	12.8
101.02307	12.2
102.05469	6.5
107.00422	1.6
111.00797	3.1
113.02308	24.0
115.03884	12.0
117.57574	1.7
125.02306	31.4
138.44048	1.6
142.26759	1.8
143.03380	50.7
149.96671	1.5
155.69974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	27.7
59.01255	7.0
71.01237	4.5
71.04868	4.9
73.02811	15.7
74.02336	1.5
83.01237	5.5
83.04882	2.7
84.04428	1.9
85.02813	9.2
87.00751	4.6
91.59751	1.4
101.02309	100.0
101.05135	2.0
102.05464	13.5
109.03943	1.7
113.66421	1.3
115.00272	3.5
115.03869	3.5
115.75097	1.4
118.02874	1.6
118.85830	1.6
127.04997	5.0
128.03436	6.6
145.01306	10.2
145.04984	2.5
145.06062	3.5
145.09700	1.7
146.04489	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	145.013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03318	27.6
57.46934	0.9
59.01238	3.1
71.01253	6.2
71.04867	2.5
72.99156	1.4
73.02805	16.1
74.02323	2.1
83.01234	4.2
84.04405	3.4
85.02803	3.7
87.00722	1.8
91.73345	2.4
93.75662	1.1
98.02309	1.4
101.02303	100.0
101.05270	1.4
102.02699	1.8
102.05464	80.6
109.03925	3.4
115.00227	2.2
115.03884	2.0
115.91898	1.4
127.04034	1.7
127.04998	7.1
128.03413	37.0
145.01302	8.2
145.06058	4.9
146.04478	17.1
154.55484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16833	0.4
56.53638	0.5
58.02843	10.1
62.05637	0.6
66.72231	0.6
67.02866	4.3
67.37450	0.5
69.79513	0.5
70.02836	1.7
70.15581	0.6
70.39132	0.5
71.01248	1.4
71.02347	0.8
71.19746	0.6
72.00758	5.8
72.99167	1.3
74.02331	21.3
82.02834	6.5
84.02483	0.7
84.04403	32.7
85.02797	1.9
86.02335	6.1
90.53082	0.6
96.35111	0.6
97.03938	2.5
98.02340	2.8
99.05502	4.4
101.02296	1.0
101.07063	14.8
102.05467	100.0
102.08311	1.3
106.44092	0.6
106.48779	0.6
107.02374	1.6
109.03941	45.6
125.03441	12.5
127.01447	1.2
127.05006	79.2
127.08944	0.9
127.99827	1.0
128.03407	74.8
129.03665	0.9
139.68735	0.6
142.03777	1.4
145.06071	64.2
145.09746	8.0
146.04477	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	145.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54066	0.2
57.03295	0.4
59.01228	1.2
69.03336	0.3
71.01237	1.1
71.04867	0.3
71.93320	0.4
72.75484	0.3
72.99155	0.5
73.02795	1.2
81.03283	0.6
83.04868	1.2
85.02792	1.5
87.00729	0.4
97.06460	1.8
99.04384	0.6
99.05246	1.2
99.08012	100.0
99.10400	1.0
100.08356	1.1
101.05928	1.7
127.03870	0.7
127.07528	1.3
141.55055	0.3
143.07024	1.3
145.03789	0.7
145.04823	3.7
145.08585	54.7
146.08926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
60.54409	0.3
62.08408	0.3
71.01247	0.4
72.00766	0.3
74.02325	0.9
83.24842	0.4
84.04404	1.1
85.02801	1.2
87.09957	0.3
92.97127	0.3
97.01780	0.3
101.02316	0.5
102.02512	1.2
102.05466	100.0
102.08049	1.4
103.05813	1.4
128.03406	42.4
128.06998	0.7
129.03813	0.8
146.04475	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	146.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01243	1.9
60.00840	0.3
71.01246	0.6
74.02335	1.1
82.02829	0.8
83.24845	0.5
84.04405	1.3
84.04888	0.3
85.02814	2.6
86.02323	0.4
87.00715	2.2
90.61443	0.3
100.03890	0.5
101.02284	1.0
102.02640	1.9
102.05465	100.0
102.07935	1.0
103.03884	0.4
103.05817	1.1
116.03419	0.4
116.97828	0.4
128.03403	47.4
129.01793	0.8
129.03712	0.4
146.04469	21.6
147.02890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31278	0.4
55.01757	0.7
56.83586	0.4
57.03318	4.0
58.00472	0.7
59.00047	0.6
59.01244	34.8
60.01585	0.4
61.97390	1.7
61.98695	100.0
62.00131	1.1
67.01751	1.5
68.99679	1.1
70.02851	1.2
71.01242	25.9
72.99177	2.9
73.02824	0.7
74.96057	1.2
75.00735	10.2
76.76933	0.6
77.48434	0.5
79.52153	0.5
83.01248	2.6
84.99187	1.6
85.02815	1.8
87.00742	2.7
88.98686	0.9
89.02306	4.3
90.00626	0.6
99.00099	1.1
99.00743	18.2
101.02324	1.6
101.05971	0.8
111.00785	1.5
117.01799	0.9
119.04904	1.2
120.06564	1.1
129.01817	4.6
146.86580	1.3
147.01878	1.4
147.02913	4.3
147.04440	16.7
147.05504	1.1
147.06573	1.1
148.03947	1.1
155.28766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	13.8
58.00456	2.0
59.00109	1.4
59.01243	100.0
59.02471	1.5
59.72995	0.8
61.97478	1.1
61.98694	53.2
62.00021	0.7
64.87258	0.6
67.01743	4.1
67.36488	0.8
67.37384	0.7
68.99660	0.8
69.03309	3.6
69.58038	0.7
69.89209	0.6
70.02853	0.9
71.01241	55.5
71.02879	1.0
71.04884	8.5
72.07024	0.7
72.99166	22.4
73.02794	3.5
73.22278	0.8
74.96091	0.7
75.00732	43.5
83.01231	10.0
83.04873	2.9
85.02805	11.6
87.00738	11.5
87.04382	1.5
89.02298	10.6
99.00736	26.3
99.04362	2.0
101.02293	5.5
101.05939	5.1
102.05486	1.1
103.03838	1.0
103.05799	5.7
105.01797	1.5
111.00730	7.0
111.04410	0.9
117.01778	2.3
119.03275	2.2
119.04898	1.6
120.04451	0.8
120.06526	1.5
129.01817	17.3
129.03792	2.4
129.05507	0.9
143.00696	0.8
147.01871	4.4
147.02895	13.6
147.04411	14.4
147.06526	30.8
147.07718	1.6
148.00275	1.1
148.03912	5.9
148.04927	1.1
159.69463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.5
57.03320	5.8
58.00445	0.7
59.01242	36.4
59.02425	0.7
61.98693	100.0
61.99962	1.8
67.01751	1.3
70.02847	0.8
71.01238	26.5
72.31892	0.9
72.99155	2.6
75.00732	10.4
80.96223	0.8
81.25430	0.7
82.02851	0.8
83.01237	2.4
84.99141	0.9
85.02793	2.4
87.00730	2.6
89.02303	5.5
99.00735	15.6
101.02293	3.5
101.05953	1.4
111.00757	2.2
117.01797	1.0
119.04908	3.9
120.06505	1.0
121.57507	0.8
129.01823	4.6
130.86330	0.9
146.86598	1.3
147.01877	2.4
147.02959	4.3
147.04404	64.7
147.06468	2.4
160.39568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
65.03826	5.2
65.58132	0.6
66.03351	1.8
71.01228	2.1
79.05386	100.0
79.07211	1.5
80.05708	2.3
89.02283	0.8
91.72772	0.9
95.01244	0.8
95.04879	1.0
101.02338	1.3
107.01669	1.0
107.04887	90.6
107.07769	1.5
108.02023	1.7
108.04417	4.0
108.05220	2.0
109.03928	0.8
122.03598	1.8
123.04404	4.6
136.01541	13.5
151.03903	23.6
151.05013	2.9
152.07072	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	151.0389
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.65763	0.1
59.01218	0.4
66.03330	0.5
67.01729	0.2
67.76056	0.1
69.03302	0.2
71.01219	0.6
71.69962	0.1
72.56728	0.1
73.01003	0.3
79.01704	0.2
80.02506	0.2
80.04895	0.5
80.44909	0.1
81.03320	0.3
81.12051	0.1
89.02271	0.2
92.02542	1.0
93.03309	0.6
95.01266	1.1
95.04854	0.1
97.02812	0.1
101.02285	0.2
102.16331	0.1
106.02766	0.1
107.04893	2.2
108.02031	8.1
108.04415	2.3
108.05112	0.2
109.02823	1.4
109.03954	0.4
109.04689	0.2
121.02812	0.2
122.03596	1.2
123.00738	0.4
123.04393	2.3
124.01564	0.2
136.01538	100.0
137.01877	2.0
151.03902	15.2
151.04961	0.9
151.07568	0.3
152.07074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10448	0.4
57.03315	0.6
59.01246	3.0
66.03349	2.8
71.01244	3.9
73.01038	1.0
73.02805	1.4
80.04939	0.4
81.03312	1.5
89.01804	0.4
89.02303	2.7
93.03316	2.7
95.01238	2.1
95.04842	0.8
95.96049	0.4
96.00773	0.5
101.02306	1.9
107.04889	10.0
108.02026	5.0
108.04418	7.4
109.02822	2.6
109.03905	2.7
109.06450	2.1
110.02306	0.5
114.22210	0.5
121.02824	1.0
122.03618	4.2
123.00789	0.9
123.04392	9.0
125.02308	0.5
125.05030	0.7
125.05952	12.9
125.06833	0.9
133.06419	1.0
135.04422	4.0
135.97392	0.5
136.00066	0.6
136.01555	36.9
136.05180	68.4
137.02051	0.7
137.05482	1.1
145.55327	0.4
150.06798	2.4
151.00273	0.6
151.02698	1.3
151.03891	15.7
151.04997	5.4
151.07536	100.0
152.04645	0.7
152.06903	3.7
152.07982	1.9
154.02490	0.5
168.04153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	Dopamine
Peak:m/z	Relative Intensity
52.85377	0.3
68.62281	0.3
80.09908	0.3
84.31813	0.4
85.35667	0.4
97.09994	0.3
108.02032	0.8
108.04393	0.8
109.02811	3.4
121.02833	0.4
122.03606	66.3
123.04472	5.3
124.01508	1.9
136.01535	0.6
137.02333	3.7
152.02289	1.2
152.07063	100.0
153.01768	0.7
153.07489	1.8
154.02611	4.8
162.56708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67394	0.4
59.05474	0.4
65.03829	0.6
66.03357	2.4
66.18316	0.4
67.01741	1.3
67.05380	1.1
67.09527	0.4
68.99680	0.5
69.03290	0.5
80.02520	0.5
80.04910	2.0
81.03305	3.1
81.06955	0.6
82.00466	0.8
82.02833	1.1
91.01752	2.0
91.05411	2.3
93.03315	6.1
94.04100	19.8
107.04881	8.1
108.02031	11.0
108.99805	1.4
109.02813	100.0
109.03861	3.3
109.06450	39.4
109.99956	4.7
110.02416	0.5
110.03156	1.6
110.05987	0.7
110.06783	0.4
123.05457	0.8
124.03967	0.5
125.02306	2.4
135.04428	0.5
136.00279	0.7
136.03964	0.5
137.99461	5.4
138.02016	1.0
149.39870	0.5
151.00279	0.5
153.01823	21.7
153.02869	1.2
153.05458	4.7
153.07474	0.6
153.09142	0.6
154.05040	1.0
171.61244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89495	0.7
69.03307	0.8
69.15911	0.8
71.04886	0.8
80.04921	0.9
81.03314	2.3
91.01760	1.7
97.06439	13.7
99.08006	3.5
108.02015	8.5
108.02585	0.8
109.02814	100.0
109.06484	1.3
110.00002	2.0
110.03158	2.1
121.21465	0.9
137.09665	1.6
137.99484	1.7
140.27168	0.9
149.74353	0.8
151.11180	1.2
152.93658	1.0
153.01819	18.0
153.03067	0.9
153.12738	45.0
153.86688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44714	0.9
58.34047	1.1
59.86560	1.1
64.23602	1.0
66.03346	2.1
67.02876	6.7
71.01228	3.1
72.00764	12.7
72.99163	6.0
74.02326	1.3
78.95760	7.3
80.03658	12.0
81.04434	13.1
82.02851	2.2
93.04438	80.8
94.04747	1.4
96.95881	2.1
96.96819	4.6
108.05534	8.2
109.03948	3.5
110.03153	4.5
110.07101	19.4
111.92542	1.3
112.03905	1.4
112.92187	3.3
115.74541	1.1
118.03971	3.8
136.04073	1.8
136.05025	8.0
136.98430	3.8
137.03447	42.9
154.05150	3.7
154.06113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.4
59.01229	3.0
65.03796	1.4
67.01751	2.0
73.02800	8.5
78.95759	4.0
81.03314	2.3
83.01234	3.9
83.04878	6.0
84.04380	1.8
85.02777	2.5
87.00733	1.5
93.03311	23.9
95.01252	1.5
96.00755	3.7
96.95872	35.6
96.96847	4.6
97.02836	2.0
109.02814	3.7
111.00661	1.7
111.04379	13.8
111.08015	4.6
113.02351	2.5
114.05442	5.2
118.98820	1.7
125.02283	1.7
127.00227	1.7
131.88203	1.7
137.02313	5.5
137.09601	5.2
140.01025	8.3
141.05998	1.7
152.95274	1.7
155.03403	11.3
155.04535	3.3
155.07027	4.0
155.10667	100.0
155.15999	1.7
155.86409	3.7
156.11049	2.4
156.53308	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	157.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59843	2.7
58.00463	4.9
59.01246	19.8
63.68934	2.0
69.03311	5.0
71.01231	2.7
75.16936	2.2
83.04883	10.3
85.02832	3.6
85.06434	3.1
87.00706	2.7
91.82738	2.5
95.01262	3.0
95.04881	10.0
97.02813	5.0
99.00743	10.9
106.75575	2.5
113.05947	100.0
113.09615	3.4
115.00227	6.4
121.02759	2.4
127.00238	25.6
142.02637	4.7
145.18590	2.3
156.89394	2.9
157.01309	3.6
157.04968	22.0
157.08595	6.9
157.12183	4.7
172.04166	2.7
174.81190	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	157.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11274	1.6
51.56802	1.5
55.72267	1.7
55.97847	1.4
56.20442	1.4
57.03323	3.1
57.32925	1.4
58.00469	8.0
59.01246	19.2
59.01481	1.8
60.96222	1.6
64.65745	1.7
68.99679	2.7
69.03341	5.3
71.01262	6.6
81.03328	3.3
83.01246	2.6
83.04879	9.4
84.69645	1.7
84.99200	2.3
85.02807	3.6
85.06467	2.3
87.00765	3.2
93.03348	3.1
95.01270	2.3
95.04874	14.7
97.02845	6.3
99.00739	13.7
113.05949	100.0
113.09563	2.2
114.05540	3.0
114.06350	2.8
115.00271	5.7
115.05849	1.7
121.02869	7.2
125.02380	2.7
125.99699	1.8
127.00242	29.0
128.14943	1.8
130.03917	2.1
130.06508	3.2
133.21770	2.0
142.02641	7.4
156.89398	3.2
157.01323	3.8
157.04987	20.0
157.06201	2.6
157.08589	9.3
157.12262	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	157.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
56.08772	0.7
56.13327	0.7
56.79325	0.7
57.03300	3.7
57.78275	0.6
58.00448	1.5
59.01243	6.7
67.01744	0.9
67.05382	1.2
68.50042	0.7
68.99664	1.7
69.03291	1.2
71.01226	2.9
75.00732	1.9
82.95824	0.7
83.04875	3.1
84.99187	0.8
85.02785	4.0
85.06421	0.8
87.00716	1.5
91.58712	0.7
93.03403	0.8
95.04887	3.0
97.06445	1.8
99.00739	3.9
111.04396	0.9
111.08041	4.7
113.05942	3.6
113.09541	1.0
115.00208	4.3
115.05784	1.0
121.02832	1.5
127.00246	14.1
139.07581	0.8
149.99225	0.8
156.89378	1.5
157.01294	1.5
157.05099	4.8
157.08600	100.0
158.08931	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	157.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39516	1.1
54.18441	1.1
55.01760	1.3
57.03308	9.9
58.00465	8.7
59.01244	23.2
63.05147	1.2
67.05381	1.6
68.99667	4.0
69.03313	4.6
69.23690	1.4
70.24660	1.4
71.01231	11.7
71.04855	1.3
72.99166	2.3
73.02805	1.4
75.00729	6.4
76.56566	1.2
81.03318	2.1
83.01228	3.8
83.04891	9.5
84.65217	1.3
84.99171	4.7
85.02813	17.8
85.06458	2.9
87.00729	11.6
95.01205	2.4
95.04886	15.3
96.95869	3.4
97.02807	4.3
97.06458	3.4
99.00736	20.7
99.04366	5.6
101.02267	1.6
111.00758	3.5
111.04387	2.4
111.08041	3.5
112.92117	3.8
113.05940	16.9
113.09603	1.6
113.54441	1.5
114.05489	2.7
114.93260	3.1
115.00246	22.8
121.02830	5.0
127.00243	59.7
127.03875	3.7
130.06494	1.9
139.00291	1.8
139.03880	2.6
142.02580	2.2
142.11983	1.5
154.99695	2.4
156.89369	4.9
157.01305	5.8
157.04997	24.3
157.08598	100.0
157.12192	2.8
158.08994	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	161.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
55.72942	0.7
57.03317	16.7
58.00458	1.2
59.01242	65.0
67.01738	1.3
68.99673	1.7
69.03321	6.0
71.01239	53.2
71.02771	1.3
72.34055	0.9
72.99163	5.2
73.02805	59.1
75.00725	6.5
77.68654	0.9
81.03315	9.4
83.01236	21.1
83.01699	1.6
84.02032	2.5
85.00586	1.1
85.02806	100.0
85.04829	1.5
86.03156	1.4
87.00726	8.0
87.04373	1.5
89.02295	16.8
92.19452	0.8
94.15462	0.8
95.01248	5.4
97.02812	6.6
99.04380	6.3
101.02303	24.2
103.03891	2.6
104.01372	0.8
105.01800	0.9
113.02309	44.7
114.02625	0.9
115.03854	1.3
125.02283	1.6
129.01808	1.2
131.03374	35.5
131.04369	1.8
132.03740	1.0
135.04510	0.8
143.03369	1.4
147.03189	1.1
159.02988	1.0
161.04456	19.7
162.05542	2.7
174.14240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.06067	0.1
54.06646	0.1
54.82940	0.1
55.26078	0.1
57.50465	0.1
59.01245	0.5
61.98680	0.1
65.03809	0.1
71.01243	0.3
72.00778	0.1
72.99173	0.1
73.02798	0.1
85.02816	0.1
91.01742	0.7
91.05388	0.3
92.04933	0.3
93.03314	1.8
101.02301	1.2
106.02230	0.1
107.04940	0.1
112.91638	0.1
117.03327	0.4
119.01137	1.2
119.04890	100.0
119.08268	1.3
120.04420	0.4
120.05232	2.1
121.03993	0.1
121.05009	0.1
135.00745	0.1
135.04396	0.4
136.03938	0.1
145.02917	0.1
147.04382	0.2
162.83813	2.1
162.89171	0.4
163.00293	0.6
163.03905	7.3
163.05962	0.7
164.04237	0.1
164.07057	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	164.0707
Annotation	L-(-)-Phenylalanine
Peak:m/z	Relative Intensity
54.01376	0.4
63.22072	0.4
67.30909	0.6
71.40709	0.5
71.99185	0.8
72.00766	36.9
72.02531	0.7
90.23675	0.5
91.05392	4.8
103.05405	0.9
104.49429	0.4
118.06521	0.8
119.04863	0.7
132.53459	0.5
135.04425	2.2
146.05986	0.8
146.99786	1.2
147.04405	100.0
147.09625	1.1
148.04767	2.2
164.07072	50.0
164.13164	0.6
165.07466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29275	0.5
52.58847	0.6
53.27179	0.5
57.84975	0.6
58.00434	0.6
59.01241	6.9
61.80764	0.6
65.00202	1.3
66.03350	0.8
67.01744	1.0
69.01193	0.6
71.01233	0.9
72.00774	0.8
75.00726	1.1
77.03822	6.5
79.01751	1.6
81.03307	1.6
82.02831	0.8
83.42310	0.7
87.04386	0.7
91.01758	2.5
91.72813	0.9
92.99665	1.5
93.03318	12.1
94.02867	0.7
95.04897	0.8
106.04113	4.1
107.04890	18.7
108.02014	1.4
108.05538	4.3
109.02797	5.1
119.04876	4.7
121.02821	100.0
121.06403	3.4
122.03114	1.3
122.03607	0.8
122.05993	1.4
123.04375	5.1
123.05497	1.4
124.03934	0.9
131.32161	0.7
134.03613	1.9
135.04398	47.0
136.04759	1.7
137.02307	10.7
137.04225	1.3
137.08202	7.0
139.03957	1.1
147.02638	0.9
147.04416	6.2
148.04759	1.6
149.00941	1.6
150.03111	9.4
151.03461	0.7
151.84782	0.6
156.58443	0.7
164.07021	1.2
164.83511	7.3
164.89505	2.2
165.01833	44.2
165.03867	4.1
165.05466	13.4
165.06659	0.9
165.07550	2.6
165.09021	1.2
166.04948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.7
59.00967	1.4
59.01243	16.1
61.98693	14.1
62.30691	0.6
62.55629	0.7
68.99677	0.8
71.01237	9.8
72.99165	9.9
73.02807	3.7
75.00731	100.0
75.02393	1.8
83.79155	0.8
83.90069	0.7
85.02818	4.0
87.00732	70.9
88.01055	0.9
89.02303	4.9
99.00732	10.9
101.02310	4.0
105.01798	47.2
111.00738	1.1
117.01839	3.5
121.02843	2.9
124.00589	1.6
129.01805	11.4
135.02858	1.8
135.04391	1.0
143.75494	0.8
147.02879	13.8
160.04567	0.9
165.01740	2.9
165.03952	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	165.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.4
59.01239	14.7
61.98686	2.0
65.18082	0.9
70.59885	0.7
71.01235	8.0
72.99171	9.1
73.02802	3.0
74.98969	1.6
75.00728	100.0
75.03223	1.0
79.95587	3.2
83.01245	1.7
85.02801	2.9
87.00730	51.7
88.76793	0.8
89.02305	4.0
89.02800	0.9
93.03317	3.2
99.00730	8.9
101.02287	5.0
104.98776	0.9
105.00704	1.5
105.01791	39.4
106.97968	1.0
109.02744	0.8
110.71855	0.8
117.01814	2.1
119.03314	1.6
121.02794	12.1
123.04422	1.6
124.00600	8.5
129.01819	9.9
132.90749	0.9
137.02348	2.2
138.05438	0.9
147.02884	10.1
165.01952	5.2
165.03957	67.8
165.05415	4.3
170.94980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76144	0.6
55.01766	0.7
69.03310	1.1
71.39564	0.7
80.04913	14.1
81.03305	1.5
83.04868	1.5
91.01735	2.7
93.03304	4.0
95.01221	1.6
95.04867	2.8
96.04465	0.8
97.02811	1.6
97.06446	1.4
105.03291	1.0
107.04900	4.5
108.02036	19.4
108.04417	1.0
109.02812	3.5
111.00767	0.8
111.04344	1.3
111.08025	1.5
112.88893	0.7
121.02805	1.0
121.06466	2.4
122.03631	1.2
123.00767	1.6
123.04384	21.9
123.05502	15.5
123.08006	3.9
124.01528	2.0
124.03921	1.1
124.05128	2.0
124.07558	1.6
125.02347	1.3
125.05938	3.6
137.02316	2.6
138.03102	2.1
139.00285	0.8
139.03889	4.3
139.07527	30.9
140.07878	1.2
149.05943	2.0
150.01865	0.7
151.03888	2.1
152.01048	34.6
152.04692	8.8
153.01419	1.4
153.05109	0.9
161.56445	0.9
163.17265	0.8
165.05406	1.0
167.01944	1.6
167.03363	15.7
167.04616	2.5
167.07040	100.0
167.12723	1.2
168.07368	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	167.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08982	1.0
59.01237	1.2
59.49765	1.2
60.32487	1.0
61.98691	5.7
65.03792	1.2
66.03349	1.3
69.03305	4.4
70.65865	1.0
80.02500	1.1
80.04910	9.0
81.03303	4.8
82.95279	7.0
83.01237	1.7
83.04875	3.8
91.01759	2.7
93.03307	2.9
95.01247	4.2
95.04881	4.8
96.04401	2.3
97.02807	16.8
107.01214	1.6
108.02033	18.5
108.04416	13.4
109.02838	2.6
111.04375	3.4
113.84637	1.4
115.27615	1.3
121.02827	2.7
122.05980	3.3
122.94267	1.2
123.00724	3.4
123.04390	22.2
123.05508	9.6
123.08029	4.9
124.01539	4.6
124.07578	2.7
125.02319	14.0
132.86653	1.7
138.03108	4.8
139.03877	16.6
140.01062	1.3
150.05478	2.2
151.00224	2.5
152.01042	30.3
166.83322	4.0
166.93227	2.1
167.03386	55.4
167.05995	5.4
167.07091	4.6
167.10678	100.0
168.06538	2.8
168.11028	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	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31127	0.5
57.97063	0.5
58.01605	1.5
58.02841	100.0
58.03951	1.8
61.98699	2.4
65.86898	1.0
82.95268	4.0
87.00729	1.0
89.67999	0.6
91.72704	0.6
96.04456	0.9
102.01357	0.6
103.59238	0.6
108.04410	1.6
122.06044	1.3
126.90259	2.3
150.05554	1.4
168.06583	1.4
168.13857	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	169.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01246	2.1
65.00178	0.4
65.03809	0.6
67.01739	1.0
68.99683	0.5
69.03304	1.4
71.01235	1.2
79.05370	1.6
81.03313	34.9
81.05315	0.7
82.03632	0.5
83.01238	0.9
83.04879	45.2
83.06928	0.7
84.05224	0.6
85.02803	1.6
85.22010	0.4
93.03315	1.0
95.04865	1.4
97.02815	3.8
97.06448	6.1
98.02336	1.5
98.05981	0.5
99.04346	1.4
107.04883	8.4
108.04398	1.2
108.05149	0.5
109.02814	1.4
109.04057	0.4
109.04758	1.8
111.00757	0.7
111.04381	1.3
113.02310	0.8
113.05910	0.6
123.04387	2.9
125.02427	1.7
125.05953	100.0
125.09764	1.3
126.05493	0.7
126.06284	2.5
127.03909	2.4
128.03365	0.4
139.03902	2.2
140.03386	0.6
151.00233	0.5
151.03874	4.7
152.04222	0.8
154.02534	0.5
169.01353	0.5
169.04980	21.1
169.06339	1.0
170.04442	0.5
181.31090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01237	0.8
60.52911	0.3
61.98705	0.3
68.97400	0.2
69.03319	1.8
69.15533	0.2
71.01244	0.6
71.04884	0.6
71.86713	0.3
78.39182	0.3
81.03322	0.7
83.04887	0.6
84.94984	0.5
85.02821	0.4
87.00735	1.7
89.74184	0.3
95.04878	0.5
96.99174	0.3
97.02804	1.6
97.06459	0.8
98.02320	0.3
99.04402	0.4
107.04926	1.5
108.02067	0.3
108.04427	0.3
109.02790	0.8
109.03951	0.3
109.04752	0.8
109.06443	1.3
110.02322	0.3
111.04387	0.6
111.59531	0.2
113.05979	0.3
123.04407	0.9
125.02305	0.7
125.09592	100.0
125.13143	1.3
126.05461	0.3
126.09921	2.4
126.90240	3.8
127.03867	1.2
131.94620	0.3
134.61409	0.3
134.86368	0.5
139.03914	1.4
140.03441	0.5
151.03940	1.9
153.98930	0.4
154.02586	0.3
168.83574	1.4
168.91324	0.9
169.01361	0.3
169.03658	0.3
169.04991	4.7
169.06259	0.3
169.08600	3.3
169.12231	0.4
170.04480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30381	0.3
57.03323	0.3
58.02846	1.2
58.16991	0.3
59.01245	0.4
60.99154	0.2
67.01748	1.3
69.03325	0.6
71.01250	0.5
73.02805	3.4
75.34951	0.2
81.03319	0.5
82.06501	0.6
83.04855	1.8
84.14841	0.3
85.02817	1.0
91.72753	0.4
93.03313	12.9
99.00728	0.8
99.04374	1.0
105.20700	0.3
111.04382	2.9
111.07999	0.4
128.10686	3.3
130.04730	1.2
130.08611	100.0
131.08975	1.7
136.83081	0.3
137.02271	2.1
143.03319	0.4
144.04431	0.5
172.09688	13.8
173.04472	1.1
173.08203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.51352	0.2
53.94978	0.2
58.02849	1.3
59.01236	0.4
66.61878	0.2
66.72276	0.2
67.01751	0.9
67.79865	0.3
69.03313	0.6
71.01239	0.5
71.46878	0.3
73.02797	2.0
75.95731	0.2
80.88710	0.3
81.03303	0.4
82.06506	0.6
83.04893	1.0
83.13699	0.2
85.02821	0.3
91.00974	0.3
93.03313	8.6
99.00756	0.6
111.04337	1.6
112.03879	0.5
128.10686	3.0
130.08612	100.0
130.12497	1.2
131.08971	1.5
137.02321	0.9
144.04482	0.4
144.46544	0.3
155.03427	0.3
172.09692	13.5
173.04449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19405	0.2
57.03330	0.2
58.02841	1.5
59.01241	0.3
62.72279	0.2
65.03833	0.3
67.01757	1.8
69.03319	0.5
71.01239	0.8
73.02796	2.0
73.55647	0.2
75.68577	0.2
75.75317	0.2
77.62862	0.2
80.19544	0.2
81.03309	0.3
82.06466	0.6
83.04880	0.9
85.02811	0.5
93.03312	10.3
99.00744	0.7
99.04378	0.5
111.04362	1.8
111.08025	0.2
112.03909	0.5
128.10686	2.2
129.01778	0.2
130.04796	1.2
130.08609	100.0
131.08957	1.7
137.02335	1.3
144.04417	0.3
155.03384	0.4
168.91713	0.2
172.03900	0.3
172.09691	11.9
172.83026	0.2
173.04471	0.7
173.10001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0081
Annotation	Aconitic acid
Peak:m/z	Relative Intensity
56.46573	0.3
57.03306	0.3
59.01220	0.3
60.22688	0.3
67.01745	0.5
71.01251	0.5
72.99168	0.5
73.02812	0.7
83.01217	0.4
83.04908	0.5
85.00969	1.1
85.02806	100.0
85.04942	1.3
86.03135	1.4
88.78493	0.4
93.03314	1.5
93.22850	0.3
111.00745	8.5
111.04372	1.0
129.01810	13.6
130.02127	0.4
154.99680	0.5
155.03432	0.6
173.00801	1.2
187.58388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
60.97800	0.2
61.74678	0.1
65.87894	0.1
71.01271	0.2
72.99242	0.1
79.74313	0.1
81.87104	0.1
85.02788	0.2
87.00722	0.4
107.04874	0.2
109.02799	0.7
118.26569	0.2
133.01624	0.4
133.02792	0.2
134.02357	1.8
134.03542	0.4
135.04391	1.4
147.03183	0.3
148.03928	0.5
148.05128	0.2
149.05972	6.8
158.05980	0.4
159.03242	0.3
159.04445	1.6
160.03941	6.6
160.05087	0.2
161.04721	11.2
162.03098	0.4
162.05106	0.3
174.05508	3.1
175.06271	0.5
176.07082	100.0
176.13573	0.8
177.07452	3.0
193.03801	0.3
197.49236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	8.4
63.36519	0.4
65.93326	0.5
66.12148	0.5
67.83477	0.5
70.15604	0.5
71.01224	1.5
72.09058	0.5
73.02804	0.6
75.00692	0.7
85.02802	0.6
89.02277	0.7
91.73289	0.8
99.00722	1.2
101.02322	2.9
108.02022	0.7
115.03882	3.1
117.01753	0.6
129.01820	1.1
129.71506	0.5
130.33601	0.6
133.02826	1.4
134.02342	0.5
141.86577	0.5
141.93507	0.5
149.02345	0.8
162.03114	3.4
176.98019	0.6
177.01779	3.0
177.09113	100.0
178.09474	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31314	0.7
55.01746	0.7
57.03311	0.7
58.00457	3.1
59.01241	100.0
59.02463	1.8
67.22646	0.7
69.03320	0.8
71.01238	70.3
71.02857	1.1
72.99171	3.5
73.02803	2.1
76.85892	0.7
78.95763	4.0
83.01247	2.6
85.02802	11.4
85.03223	1.0
87.00734	5.6
89.02296	43.8
95.01254	2.4
96.95886	2.5
96.96839	4.3
97.02863	1.0
99.00748	1.6
101.02316	8.6
102.19070	0.6
106.46501	0.7
108.92915	0.6
113.02295	7.0
117.01768	0.9
119.03400	2.9
131.03415	2.3
161.04440	6.5
179.05498	9.0
179.06744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91922	0.6
52.98567	0.6
55.01747	1.5
57.03308	0.7
58.00457	2.7
59.00120	1.6
59.01242	100.0
59.02509	1.5
60.01575	0.9
68.61718	0.7
70.99753	1.3
71.01239	87.0
71.02919	1.4
72.01575	0.7
72.99170	2.0
73.02798	2.1
73.20723	0.7
78.33750	0.6
83.01250	3.5
85.02807	8.4
87.00739	2.6
87.08206	0.7
89.02296	45.5
95.01263	2.3
99.00760	0.9
101.02299	14.7
112.02879	0.8
113.02292	8.1
119.03400	2.6
130.98175	0.7
172.05844	0.8
179.05579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
58.00448	2.8
59.01242	100.0
59.02383	1.9
70.99554	1.4
71.01240	86.7
71.02759	1.4
72.01560	0.8
72.99166	3.1
73.02812	2.2
83.01233	4.5
85.02802	7.6
87.00735	4.2
89.02298	47.6
91.78872	0.9
93.75870	0.8
95.01241	2.3
97.02842	1.0
99.00729	1.0
101.02302	14.9
113.02299	6.3
119.03402	2.6
135.04398	1.0
161.04468	1.6
179.05547	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	180.0656
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
56.83058	0.7
59.01238	6.4
60.01573	2.2
71.01235	2.9
72.00768	31.6
72.01565	3.3
74.00630	1.1
74.02324	5.8
74.25841	0.9
75.35136	0.8
87.00736	1.8
89.02290	1.0
90.02625	1.3
93.03316	27.5
94.02844	3.6
100.01098	1.3
104.69795	0.8
106.04101	3.0
107.04869	2.3
108.04404	2.3
108.06287	0.9
111.40358	1.3
119.01553	1.1
119.04893	74.7
119.07839	1.2
119.08678	1.2
120.05228	1.8
123.04391	1.9
134.05977	4.7
136.07568	8.5
137.07108	1.0
138.05547	1.4
141.50610	1.0
150.05470	1.2
162.05623	2.1
163.03905	82.1
164.04254	2.7
180.06590	100.0
181.06969	1.8
186.31772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.045
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
53.20697	0.3
53.60189	0.3
59.01276	0.3
61.98718	0.4
66.03355	0.7
66.20705	0.3
68.01276	0.3
69.03321	0.5
71.01253	0.3
79.01749	0.4
81.03326	0.5
82.02842	0.7
83.04898	0.4
85.69742	0.3
92.04917	4.3
93.03321	0.7
94.02840	2.6
95.01303	0.4
95.03613	0.4
95.04871	0.7
96.04387	1.5
96.95842	0.7
97.02798	0.4
98.05994	0.5
107.03642	0.4
108.01269	0.5
108.04412	57.8
109.02832	0.5
109.04755	0.6
110.02354	1.2
110.05986	1.1
111.00766	0.4
111.04317	0.3
120.04410	5.1
120.05203	0.4
121.02817	0.5
122.02362	1.7
122.03576	0.8
122.05985	2.4
123.03106	1.5
123.04388	21.1
123.99756	0.6
125.00536	0.7
136.03944	1.7
137.00549	0.8
137.02319	1.8
137.03253	0.3
138.00897	0.8
138.05487	100.0
138.09439	1.0
139.03925	0.6
139.05844	2.2
150.05490	17.4
152.03409	0.4
152.07019	0.5
153.00073	0.9
154.03210	0.6
163.05455	0.3
165.00027	0.9
167.05771	1.5
168.00575	0.4
182.02835	1.7
182.04489	25.2
182.08017	1.5
182.55183	0.4
183.02988	0.5
183.04865	0.8
183.06477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.3
59.01246	0.5
66.03352	0.6
67.01737	0.3
68.01254	0.3
69.03326	0.5
71.01244	0.3
80.02544	0.3
80.04900	0.3
81.03307	1.7
82.02832	0.8
83.01249	0.3
83.04871	0.4
87.33875	0.3
92.04922	0.7
93.03310	1.5
93.04424	0.7
94.02856	1.2
95.01245	0.8
95.04886	2.5
96.04413	2.0
96.95885	0.3
98.05972	0.6
102.71937	0.6
104.04876	0.2
105.03333	0.4
108.02048	1.0
108.04418	4.7
109.02802	0.5
110.02348	1.0
110.05983	0.9
111.00757	0.3
111.04407	0.4
112.03907	0.6
112.05037	0.3
120.04407	0.8
121.02843	0.9
122.03599	4.4
122.05949	1.3
123.00655	1.5
123.04389	100.0
123.07585	1.0
124.04707	2.3
126.05467	0.4
131.03673	0.9
134.02385	1.4
134.03435	0.3
134.05986	0.4
136.07533	0.4
137.02351	0.5
137.03427	0.6
138.01849	0.6
138.05490	7.2
138.07298	0.3
138.09167	0.5
143.99213	0.3
148.03862	0.3
149.04700	1.0
150.00458	0.8
150.05495	71.7
151.05867	1.6
152.07014	0.4
154.02548	0.3
154.04987	0.5
165.01892	0.5
171.12505	0.3
182.04512	5.9
182.08121	3.9
183.02882	0.5
186.38603	0.3
196.66283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.18832	0.4
57.03318	1.1
59.01237	1.1
69.03304	1.1
71.00912	0.6
71.01244	5.5
73.02798	0.3
81.03320	0.6
83.04879	1.5
84.04406	0.4
85.02798	1.6
85.06450	0.4
93.03324	1.3
94.02834	0.7
95.01230	0.5
95.04881	2.6
96.04414	0.8
97.02809	14.8
97.06431	1.2
101.02312	0.9
105.06976	6.0
107.04918	2.3
108.05676	10.9
109.02823	3.5
109.06466	6.1
110.06741	0.5
111.00735	1.1
111.04369	1.9
111.08026	3.1
112.03910	0.5
113.05947	12.9
114.06287	0.5
115.22027	0.4
121.02831	0.5
121.06459	4.2
122.03608	41.0
123.04354	1.7
123.08032	9.2
124.01516	1.1
124.03426	0.6
124.05161	2.1
125.05965	15.8
127.03852	0.5
135.08043	1.1
136.05167	7.4
137.02280	0.6
137.05969	22.3
138.03024	0.8
138.06754	39.9
139.03882	1.3
139.07533	41.0
139.11125	0.9
140.07030	1.7
140.07957	0.7
149.05989	2.8
151.03946	1.6
151.07542	100.0
151.12556	1.2
152.04688	11.5
152.08334	25.9
153.09145	4.3
165.05490	1.0
166.04996	0.7
167.07072	4.5
168.00601	0.9
170.05852	0.6
183.02934	0.9
183.06563	1.6
183.10191	5.4
184.06065	1.4
197.08191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03319	5.7
59.01241	14.1
61.98680	1.9
69.03307	2.2
70.29221	1.1
84.02644	1.1
91.73162	2.4
97.06445	1.7
103.16839	1.2
109.72593	1.1
113.09592	5.9
123.04410	1.3
125.02377	1.1
125.87181	8.5
129.03745	1.2
139.11162	48.4
140.89554	20.3
141.07367	1.8
141.09079	4.2
141.12706	1.4
157.86255	2.5
167.10652	1.5
172.54066	1.4
174.50128	1.3
184.88643	3.0
185.06129	2.6
185.11745	100.0
186.12172	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	185.1175
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03305	0.4
59.00017	0.8
59.01243	35.3
59.02296	0.6
65.98930	0.6
71.01242	3.5
71.04876	5.2
83.04893	0.7
85.02824	0.7
85.06445	1.0
87.04353	0.7
97.06476	1.1
98.69307	0.5
99.08028	2.2
106.07414	0.6
111.08024	1.8
115.00607	1.3
115.03876	100.0
116.04231	1.1
123.08025	1.7
125.87186	2.2
139.11171	2.9
140.89542	5.3
141.09103	1.2
141.12709	1.3
157.09741	0.6
157.86241	1.0
167.10672	14.3
169.75697	0.6
183.10136	3.6
184.88576	1.3
185.11749	84.6
186.12102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.07298	0.8
57.03314	9.1
59.01229	3.8
59.78831	0.9
61.98694	1.1
69.03302	1.6
71.01257	0.7
71.04877	13.6
73.02795	2.5
75.08207	0.8
80.02528	1.2
85.02813	1.1
85.06426	1.4
88.03907	1.2
91.72887	3.1
96.04442	0.9
97.02810	1.2
97.06448	0.9
99.04351	1.0
101.02322	1.6
108.88605	0.8
111.04348	1.6
123.08018	1.1
125.09618	1.0
125.87154	3.2
128.03493	1.1
138.29218	1.1
139.11179	10.1
140.89566	10.2
141.07405	1.1
141.09091	3.5
149.09619	1.6
167.10683	50.1
167.15730	1.0
183.10182	13.8
184.88655	1.4
185.04614	1.5
185.06204	2.0
185.11752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0062
Annotation	p-Cresol sulfate
Peak:m/z	Relative Intensity
57.76487	0.2
58.22179	0.2
59.01239	1.3
59.33599	0.2
69.23913	0.3
71.01243	0.3
72.52026	0.2
79.95592	20.7
80.96378	2.5
83.04884	0.4
85.06521	0.3
87.04347	0.3
97.06455	0.3
106.04138	0.5
107.04889	100.0
107.07864	1.3
108.05223	1.8
119.93540	0.3
122.89208	0.3
123.04366	0.5
125.05964	0.3
125.09583	3.0
131.04933	0.3
141.86691	0.6
142.89302	0.6
143.04918	0.4
159.04413	0.3
159.87770	0.4
187.00627	40.0
187.09712	1.9
187.13266	0.5
188.01019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0345
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.20317	0.2
54.67706	0.2
56.92921	0.3
59.01239	1.1
59.94100	0.2
61.98687	1.1
65.99706	0.4
72.73525	0.2
72.99180	0.3
73.02802	0.3
74.02328	0.5
74.66805	0.3
75.84869	0.4
80.96365	0.4
81.20990	0.3
83.04865	0.4
83.35171	0.3
97.06449	0.5
98.02309	0.4
102.03358	0.3
109.06448	0.4
115.76894	0.3
116.04955	0.4
117.03320	0.3
117.49889	0.3
125.05913	0.4
126.06384	0.3
127.07512	1.6
128.03412	0.3
129.05443	1.0
135.86554	0.3
141.86699	2.7
143.07054	1.1
144.04431	100.0
144.09167	1.1
145.04773	2.2
159.87737	2.1
187.86008	0.3
188.03424	3.7
188.09206	0.3
188.95293	0.4
189.05734	0.5
189.07596	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	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
51.51332	0.2
57.03318	6.2
58.03644	0.3
59.01256	1.5
67.01746	2.1
71.01235	2.1
72.99165	2.9
73.02802	1.5
80.96371	1.2
82.95963	1.2
83.14333	0.3
85.00732	0.4
85.02807	30.7
86.03137	0.4
86.98551	0.8
87.00732	49.3
92.95844	4.2
99.00745	0.8
101.02312	1.3
103.03877	0.9
106.97954	1.3
108.97511	0.9
110.97582	1.2
111.00742	100.0
111.04345	0.8
112.01067	2.2
114.01894	0.3
115.00238	3.8
117.01788	1.1
129.01811	6.5
130.99773	0.8
131.04483	0.6
133.01303	6.8
146.96954	0.3
147.02878	0.6
148.94855	8.0
154.99770	1.7
164.41095	0.3
173.00835	3.4
190.94661	2.9
191.01894	11.8
191.05518	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30970	0.3
57.03316	6.1
59.01236	1.4
60.33635	0.3
67.01746	2.1
71.01263	0.3
72.01643	0.4
72.99158	1.1
73.02805	1.2
79.21091	0.3
80.50498	0.3
82.89610	0.3
83.01270	0.4
84.40980	0.3
85.00866	0.4
85.02804	31.5
85.04958	0.4
87.00731	48.0
87.02949	0.6
88.01065	0.9
98.14336	0.4
99.00725	0.4
101.02291	0.7
110.97884	0.9
111.00741	100.0
111.03948	0.9
111.66246	0.4
112.01059	1.8
117.01778	1.0
129.01805	6.0
130.99707	0.7
146.49960	0.5
147.02861	0.7
152.40562	0.4
154.99741	1.0
170.31396	0.4
173.00841	2.6
191.01897	11.3
191.05522	2.0
212.30176	0.3
214.26984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03321	5.1
59.01244	6.0
67.01746	2.6
72.99161	0.9
85.02808	30.2
85.04797	0.6
86.98441	0.5
87.00733	48.5
87.02776	0.8
88.01051	0.4
93.03315	0.5
101.02280	0.5
103.03833	0.3
108.04923	0.3
110.97345	1.1
111.00743	100.0
111.03687	1.4
112.01078	2.1
129.01817	5.0
130.59271	0.3
130.99707	1.3
146.49907	0.5
154.99760	1.0
173.00789	1.9
177.37170	0.3
186.60725	0.4
191.01891	11.8
191.05537	2.2
208.41467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.71171	0.2
54.18421	0.1
57.03326	0.2
59.00970	0.3
59.01242	4.6
67.01749	0.2
71.01231	0.7
73.02815	0.3
77.03820	0.3
81.03305	0.2
83.01250	0.2
83.04865	0.3
85.02291	0.3
85.02803	4.8
87.00716	1.0
90.30353	0.2
91.72741	0.2
93.03315	1.3
101.02324	0.4
109.02795	0.3
111.00733	0.6
111.04382	0.4
111.92587	0.2
113.02307	0.3
116.07261	0.2
118.99191	0.7
119.04893	2.1
121.02818	100.0
121.06240	1.5
122.03156	1.9
127.03879	0.7
131.03374	0.9
135.04424	0.2
144.04463	0.3
147.03218	0.3
147.04399	7.1
163.03914	0.3
165.92482	0.2
171.02919	0.2
173.04565	0.3
190.97658	0.3
191.03465	6.0
191.05544	14.3
191.06938	0.7
192.05841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0345
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
55.67253	0.9
57.03321	8.9
58.00455	2.6
58.99911	1.1
59.00183	1.6
59.01243	100.0
59.02433	1.4
61.06957	0.9
67.01739	3.3
68.99673	1.4
69.03318	11.0
70.44070	0.9
70.53307	0.8
71.01240	85.1
71.02825	1.2
72.97693	1.4
72.99165	90.8
73.00810	1.3
73.02805	57.8
73.04470	1.2
73.15794	0.9
75.00731	3.8
81.03294	5.4
83.01239	16.5
84.02030	3.6
85.02805	98.9
85.04871	1.6
85.99951	3.7
86.03162	1.1
87.00729	27.1
89.02301	25.0
92.13795	1.1
93.03307	1.8
95.01245	18.0
97.02808	18.2
98.03134	1.2
99.00735	29.9
101.02305	65.2
103.00233	24.7
103.03870	2.2
111.00737	2.8
112.01537	3.4
113.02309	85.6
114.02613	1.0
115.00288	1.2
115.03874	1.2
117.01788	1.8
123.00749	1.7
123.04371	1.0
125.02316	15.7
127.03853	1.5
129.01793	3.2
131.03374	12.3
133.01292	6.8
134.03609	11.0
140.01088	2.5
141.01813	12.5
142.02643	1.1
149.05954	2.8
155.03384	7.0
157.01306	5.3
159.02820	1.6
161.04451	52.8
163.02367	2.4
175.02435	2.4
175.06030	2.0
178.02650	7.0
191.05611	2.0
193.03459	10.0
193.05054	2.9
193.07126	31.0
193.08833	1.6
193.12317	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	193.0499
Annotation	ferulic acid
Peak:m/z	Relative Intensity
51.54319	0.4
54.09387	0.4
56.24702	0.4
57.03307	1.3
59.00967	0.7
59.01242	9.7
64.10103	0.3
67.01740	0.6
68.99694	0.4
69.03320	4.1
71.01239	11.9
72.99178	2.2
73.02805	12.9
79.01753	0.8
81.03314	1.5
83.01241	5.2
84.02039	0.5
85.02808	15.2
85.99967	2.0
87.00732	10.0
89.02289	1.0
93.03315	1.1
95.01258	2.5
96.02032	0.4
97.02810	7.5
97.75319	0.4
99.00741	11.9
100.01576	0.5
101.02304	15.9
104.54269	0.5
106.04108	2.1
107.04893	0.8
107.17664	0.4
108.02033	0.5
108.04415	0.5
109.02818	0.8
111.00763	2.3
112.01520	0.6
113.02294	3.7
117.03319	0.9
119.34669	0.4
121.02819	2.2
123.00758	1.3
125.02329	5.9
133.01863	0.5
133.02838	7.4
133.99272	1.0
134.03613	100.0
135.03922	2.0
137.02318	14.9
139.03885	4.6
140.01051	1.2
141.01823	5.4
142.02599	0.9
143.03387	0.5
149.02359	1.1
149.05977	18.4
149.09546	2.1
150.03087	1.6
150.94737	0.7
155.03391	3.1
159.02937	0.8
161.04449	23.0
165.01846	0.8
165.62126	0.4
175.06038	0.7
178.02631	56.4
179.02979	1.8
191.05556	0.7
192.95821	0.6
193.04990	23.0
193.07083	13.3
193.08780	0.6
193.12206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0484
Annotation	2-(N-morpholino)ethanesulfonic acid
Peak:m/z	Relative Intensity
59.01241	0.6
59.92067	0.2
64.96877	0.5
65.27634	0.2
68.55434	0.3
71.01268	0.2
75.00727	1.6
75.39043	0.2
75.63621	0.2
78.62978	0.2
79.95592	52.9
79.97417	1.0
80.96365	2.3
84.16446	0.3
86.22974	0.2
87.37100	0.2
93.30443	0.7
99.00746	0.3
103.32650	0.3
106.97945	4.5
111.37080	0.2
124.59801	0.3
129.01773	0.7
161.08372	0.2
169.17989	0.2
190.32338	0.3
191.03517	0.3
194.04857	100.0
194.11737	1.0
195.05125	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	195.0502
Annotation	D-Gluconic acid
Peak:m/z	Relative Intensity
57.03312	4.7
59.01243	19.2
68.99695	0.6
69.03333	0.6
71.00864	0.9
71.01237	9.5
72.69874	0.4
72.99163	6.3
73.02808	0.8
74.98832	0.8
75.00731	100.0
75.02429	1.5
75.55890	0.4
75.65321	0.4
76.01094	0.9
78.95760	6.0
79.95589	0.9
83.01243	0.6
85.02802	7.6
87.00733	14.8
87.01247	1.1
89.02295	6.2
91.26067	0.4
94.02875	2.1
96.96822	11.7
97.02763	0.5
99.00085	0.8
99.00735	16.3
101.02306	1.7
101.97202	0.6
111.00745	1.7
113.02290	0.5
129.01810	43.0
130.02159	0.7
141.01807	0.9
159.02887	5.4
176.93506	0.7
177.03960	5.6
195.05031	72.9
196.05406	1.9
214.83780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.4
59.01242	18.2
68.99677	0.5
69.03313	0.6
70.43785	0.4
71.00867	0.9
71.01240	11.0
72.99166	7.4
73.02812	0.7
74.99129	1.5
75.00730	100.0
75.02573	1.3
76.01082	0.7
78.95757	6.0
79.95586	0.7
80.96352	0.5
82.06982	0.4
83.01220	1.0
85.02808	8.5
87.00733	16.3
89.02287	6.3
90.17096	0.4
90.92858	0.4
96.95863	4.4
96.96810	10.1
97.02850	0.4
99.00739	19.2
101.02294	2.4
106.97926	0.7
111.00754	1.2
113.02271	0.6
121.02814	0.6
122.03629	0.8
128.04341	0.4
129.01808	43.8
129.05873	0.5
133.18414	0.4
141.01831	1.1
150.03125	1.0
152.94368	0.8
154.75336	0.5
159.02879	5.7
165.05536	0.8
177.03958	5.9
180.04195	1.8
195.05028	78.2
195.97182	0.5
196.02682	1.3
196.05367	1.5
199.55859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86989	5.0
55.52305	5.1
57.03315	5.8
59.01245	14.9
60.27066	4.7
61.70576	4.9
61.98692	69.1
71.01244	21.3
73.02806	20.1
73.43140	5.7
75.00736	10.8
78.95775	7.6
79.95575	15.2
81.95165	69.5
81.96002	10.4
87.00736	5.6
96.95895	12.6
96.96847	13.1
97.02865	7.0
99.00736	6.8
101.02297	96.5
113.02308	18.1
115.00228	14.9
125.55261	6.4
129.01883	7.1
139.00034	10.4
141.73792	6.3
161.04521	10.1
162.83887	9.8
196.04404	17.4
197.03015	14.0
197.04660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53790	0.3
56.45369	0.4
58.97820	0.4
59.01233	1.2
61.98682	0.3
65.00185	0.4
65.99693	2.3
66.03345	0.7
69.03308	0.8
70.02805	0.5
71.01237	0.4
72.04390	1.0
73.02792	0.9
74.02338	0.4
78.95761	0.7
81.03297	0.7
82.02835	0.7
83.01269	0.5
83.04859	0.6
85.02787	1.0
87.00752	0.6
91.05384	0.5
93.03323	0.7
94.02843	1.3
94.06464	0.7
95.01242	1.4
96.00764	9.5
96.95853	1.0
97.02788	0.5
98.02338	4.1
100.03902	5.9
100.76309	0.5
101.02307	0.7
107.04886	1.0
108.04433	0.9
109.02830	5.8
109.03954	0.5
109.06450	0.9
110.05999	1.0
111.04357	0.7
112.03876	0.5
116.92734	1.4
118.06467	1.1
119.04903	1.1
120.00794	0.5
120.04418	1.3
121.01599	0.4
121.02843	1.1
122.02335	1.1
122.03635	0.6
122.05995	0.9
123.00781	2.7
123.03150	0.6
123.04401	1.0
123.05577	0.4
124.03944	0.9
125.02364	0.8
125.03423	0.4
126.90391	0.9
134.05998	0.6
135.04359	0.4
136.04765	1.0
136.07545	1.6
137.02321	100.0
137.06169	1.0
137.89192	0.4
138.03188	4.5
138.05472	0.6
150.01846	1.2
150.03104	3.4
150.05481	3.1
151.03894	12.2
152.07036	0.8
153.01834	1.2
153.05458	1.1
153.07385	1.3
153.09138	0.5
154.08609	2.4
162.83723	0.5
166.99745	1.6
167.05785	12.7
168.40398	0.5
179.03423	0.4
180.06566	1.0
182.02115	3.2
182.05722	0.8
196.89516	0.6
197.05627	31.8
198.03992	1.0
198.05957	1.0
198.07680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	1,2-Dihydroxymint lactone
Peak:m/z	Relative Intensity
51.57682	1.2
55.01751	2.6
57.03313	21.1
57.03549	1.8
58.00474	2.2
59.01251	8.0
59.24798	1.5
61.09359	1.6
65.03821	51.7
66.49664	1.5
67.01759	2.6
69.03333	5.0
70.55882	1.5
71.04862	9.4
73.02812	4.5
73.83077	1.4
74.44552	1.5
77.03832	3.4
79.05405	4.6
80.02547	6.4
81.03339	4.5
83.04865	8.1
85.02808	9.6
87.04369	100.0
93.03311	26.7
95.04882	67.4
96.00772	10.2
97.06458	10.0
98.02362	5.1
99.04409	2.0
100.03930	7.0
102.16797	1.6
106.04101	49.1
106.04776	2.9
107.04905	3.6
107.08504	7.7
109.02853	6.4
109.06482	1.8
110.02331	1.6
117.06965	2.6
119.04906	3.5
120.05662	9.5
121.02798	1.7
123.00755	3.7
125.05956	24.3
126.90404	2.1
133.06441	7.8
135.08034	41.8
135.94398	1.6
153.09137	4.2
154.08681	5.4
160.84048	2.1
162.83835	5.2
166.99828	2.9
182.02132	5.0
182.05852	1.9
197.06367	3.5
197.08078	26.6
197.80737	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.47638	0.2
55.01732	0.6
56.14529	0.2
59.01231	0.5
69.03311	0.7
69.99978	0.2
71.04864	0.7
73.02782	0.2
94.04082	0.2
95.04882	0.6
97.02809	0.3
97.06451	14.8
97.09124	0.3
99.08005	4.3
101.02292	0.3
107.04881	0.3
108.04430	1.1
109.06445	0.6
111.08020	0.6
113.09561	0.2
122.03600	2.6
123.00764	0.3
123.04375	0.6
123.08015	0.3
125.02344	0.3
125.09585	0.7
126.03130	1.2
130.80971	0.2
136.05208	0.2
137.02341	0.3
137.09608	2.1
150.05508	0.4
151.11113	1.0
153.08057	1.0
153.12743	100.0
153.18130	1.0
154.13075	2.1
160.84119	0.7
162.83807	1.0
179.03311	0.3
179.10692	21.2
180.11061	0.6
197.02170	0.2
197.04500	0.4
197.11775	6.5
197.80716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.78712	0.1
52.60141	0.1
53.16602	0.1
55.01773	0.1
57.03312	0.1
59.01239	0.2
65.13473	0.1
73.02802	3.1
73.03197	0.2
78.91747	0.1
83.04884	0.5
83.80918	0.1
85.00771	0.1
85.02811	0.2
94.04115	0.1
95.04871	0.2
98.14626	0.1
133.96729	0.1
135.08038	1.7
137.09602	8.6
138.09959	0.2
155.05664	1.2
155.10667	100.0
155.16258	0.8
156.11003	2.6
166.99757	0.3
181.08618	0.3
199.09694	8.3
199.16911	0.6
200.23982	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	199.1332
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.31351	0.9
53.63664	1.1
55.01732	1.0
57.03315	3.9
59.01244	8.2
61.98682	3.6
63.33089	1.0
66.21738	1.1
69.03310	2.8
71.01237	2.9
71.04890	8.4
72.40799	1.1
72.99165	70.0
73.00829	1.2
73.02801	7.1
74.12156	1.1
79.03814	1.2
81.03316	1.2
83.01217	1.6
83.04873	3.6
85.02791	7.0
87.00742	4.0
93.03338	1.5
95.04887	2.3
97.02809	2.0
99.00742	3.0
99.04380	5.3
99.08023	2.4
101.02292	4.0
108.04398	2.1
109.02791	2.4
109.04060	1.3
109.04758	5.3
111.00766	2.1
111.04382	2.1
111.08031	2.0
113.02296	12.0
116.92754	2.2
116.97036	1.3
117.01823	6.4
125.02312	2.5
126.90321	1.5
126.97652	1.3
127.03882	8.1
132.34879	1.2
137.05942	3.1
139.03889	4.3
139.35339	1.5
151.05890	1.5
153.12744	57.5
155.07024	2.6
155.10669	4.7
155.14296	9.1
156.89384	1.9
162.83844	6.2
164.83531	8.3
181.12262	16.7
190.01637	1.4
199.04039	2.4
199.06064	10.9
199.13333	100.0
199.16939	9.1
199.80473	6.2
200.13675	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.99984	1.7
59.01242	100.0
59.02360	1.4
60.86166	0.6
67.76752	0.6
75.00716	0.6
95.04922	0.9
97.06449	5.9
99.92452	0.7
109.65901	0.7
111.08018	0.8
111.79930	0.6
124.04009	0.6
130.08595	0.9
139.07585	3.2
141.05475	2.8
157.06602	0.9
157.08603	23.4
159.63974	0.7
173.05983	0.8
201.05536	2.0
201.07669	7.2
201.11368	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	201.0761
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
57.03323	0.6
58.99939	1.3
59.01242	100.0
59.02404	1.8
60.01575	0.6
69.03309	0.5
71.01222	0.6
71.04891	0.6
73.02808	0.4
79.05400	0.6
83.04868	0.3
85.02819	0.8
87.00704	0.5
91.72837	0.3
95.04916	1.0
97.02811	0.4
97.06452	6.6
98.06856	0.3
99.04429	0.3
99.92455	0.6
109.06467	0.3
111.04391	0.8
111.08011	1.5
113.05907	0.4
115.03928	0.5
116.92777	0.4
118.94064	0.3
121.06506	0.3
125.02250	0.3
127.70454	0.3
139.03938	0.7
139.07523	4.5
141.05447	2.9
141.74915	0.3
157.08601	25.6
158.08963	0.7
159.01443	0.6
159.89378	0.3
161.20229	0.3
164.83446	0.5
183.06587	0.6
201.02538	1.1
201.05597	1.5
201.07678	8.2
201.09369	0.6
201.11340	0.9
202.05138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01755	5.6
57.03319	30.0
58.00445	4.1
58.00705	0.8
59.01242	43.0
59.02477	1.0
59.04880	1.0
60.01596	1.0
69.03314	13.4
70.00800	1.0
71.01220	4.6
71.04878	41.4
73.02783	3.4
83.01251	2.3
85.02805	23.4
85.06448	1.3
87.04373	58.9
93.77826	1.0
95.01223	1.2
95.04880	1.5
99.92437	1.5
101.02299	3.8
111.08025	1.5
113.02308	39.2
119.08478	1.7
121.10105	23.2
121.54156	1.1
127.07473	1.9
129.01898	1.1
130.02588	2.5
131.03383	25.8
137.09586	3.6
139.07462	1.3
139.10085	2.3
139.11162	41.3
155.10670	10.8
157.06537	1.6
164.83473	2.7
165.09113	10.0
177.72421	1.0
183.10188	100.0
184.10547	2.2
201.02498	3.5
201.05502	1.8
201.11255	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.11577	0.8
55.01736	5.1
56.19114	1.2
57.03317	23.2
58.00447	2.3
58.28046	1.0
58.46239	1.0
59.01242	58.6
69.03316	8.3
70.24899	1.1
71.01219	3.5
71.04876	41.9
73.02806	2.4
83.01221	1.8
83.04872	1.7
85.02803	16.7
85.06442	2.6
87.04369	49.2
97.06452	3.2
99.08028	1.8
99.92403	2.5
101.02291	2.9
111.08049	1.3
113.02309	17.3
116.13492	1.3
121.10085	11.4
130.02570	1.9
131.03381	16.3
137.09564	2.2
139.11165	37.8
141.93498	1.5
143.07001	1.3
155.10684	3.2
157.03484	1.8
159.01373	3.5
165.09128	16.1
183.10190	100.0
184.10510	2.6
201.02423	6.5
201.05370	2.7
201.11252	57.7
202.11450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1238
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
50.50496	1.0
51.81124	1.1
57.65056	1.2
58.02834	2.5
59.01244	53.1
59.02498	1.3
61.30159	1.5
61.98685	2.0
65.54353	1.2
66.57811	1.1
69.03303	4.6
71.01231	2.9
72.00752	4.3
73.02802	2.6
74.02328	14.5
82.02831	11.1
84.03948	2.5
84.04404	26.4
85.02809	4.3
86.02328	4.8
95.01249	1.7
97.02831	2.0
98.02358	1.6
99.92443	4.5
103.12327	1.4
112.33257	1.2
112.65629	1.3
113.02294	3.0
114.09129	9.2
121.02827	2.5
127.08649	9.3
128.02554	1.7
128.03424	19.0
128.10672	2.4
129.10204	27.2
137.02353	1.4
137.36777	1.3
140.10670	3.3
141.86635	1.8
141.93507	2.8
153.10229	5.2
154.07451	1.4
155.11824	11.7
157.09712	2.0
157.13361	11.7
158.99580	1.8
159.01323	3.0
159.87778	2.0
164.83563	2.0
181.09708	2.5
183.11317	81.7
184.11642	2.9
201.02571	5.6
201.05374	2.7
201.12401	100.0
202.12740	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	202.1078
Annotation	Acetyl-L-carnitine
Peak:m/z	Relative Intensity
59.01245	8.0
60.01588	0.5
65.58620	0.4
67.41496	0.4
71.01238	15.6
82.02874	0.8
88.03899	4.8
99.92419	2.5
103.91939	0.6
104.95082	0.5
109.92142	0.5
112.03880	0.6
116.92673	0.7
130.08612	100.0
130.94250	1.0
131.08971	1.2
141.93527	1.4
143.03351	0.5
148.95332	0.6
159.89278	0.7
202.05078	1.6
202.10782	46.7
203.10988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0819
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
55.59320	0.4
56.42313	0.4
59.01230	0.6
68.13232	0.4
70.38569	0.4
70.56432	0.5
72.00763	18.5
72.01165	0.9
74.02331	37.6
79.01822	0.4
79.11651	0.5
84.74100	0.4
114.20483	0.5
116.01529	1.4
116.04926	100.0
117.05273	2.5
127.75775	0.4
129.05698	1.4
130.06503	3.5
132.08061	0.5
142.01947	0.5
142.06508	29.8
149.47832	0.4
157.07607	0.8
159.09177	18.0
161.04626	0.6
186.05496	3.8
203.08199	60.4
204.08580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0918
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
52.38692	0.5
57.03299	0.7
59.01242	24.0
61.98709	0.6
69.03307	1.1
69.66151	0.5
71.01233	2.0
73.02802	1.2
81.03303	1.0
82.02833	0.5
83.01246	0.8
83.04883	1.5
85.02818	3.1
87.04333	0.8
89.02304	0.6
93.03294	0.6
97.02794	1.1
99.04402	1.3
100.92432	0.7
101.02306	0.7
103.91920	1.0
104.97564	1.0
111.04372	1.4
111.08024	4.8
111.54985	0.6
113.02283	2.6
113.09600	4.6
116.04967	1.2
123.08011	3.3
125.02351	1.0
130.94215	0.8
131.03346	1.5
139.07495	2.3
141.09094	39.4
142.09431	0.8
145.00008	0.5
148.95277	1.1
157.08601	53.4
158.08884	1.1
159.04430	1.4
160.03935	0.6
162.05504	1.3
174.99216	0.8
175.03987	1.1
185.08116	4.1
188.04663	0.8
202.94157	0.8
203.09189	100.0
204.06648	2.2
204.09555	2.1
217.40027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.066
Annotation	Cinnamoylglycine
Peak:m/z	Relative Intensity
52.01778	3.4
56.18320	1.6
56.96696	1.7
59.01238	10.2
61.98685	3.1
62.23979	1.9
71.01263	2.3
73.02803	2.3
74.36610	2.4
79.38231	2.2
82.02848	8.0
85.02824	2.4
96.52093	2.2
99.00730	2.7
109.52666	2.0
110.44383	2.1
117.07001	11.4
120.38336	2.2
128.04945	4.5
130.06502	36.4
132.08084	4.0
141.51897	2.3
160.07568	100.0
162.05501	3.6
174.05502	5.0
204.03154	3.9
204.06564	28.6
205.15926	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80757	1.5
55.01757	2.1
57.03318	4.8
57.47355	1.4
58.02829	3.7
59.00967	2.6
59.01242	32.1
60.71975	1.9
67.01759	3.5
67.82168	1.9
68.99714	1.7
71.01235	23.4
71.01595	2.2
71.04890	16.4
71.50709	1.7
72.99166	17.4
73.01031	42.3
73.02811	8.2
74.02289	1.6
75.00733	9.8
80.52383	1.9
81.03320	5.9
83.01241	6.9
84.02012	2.1
84.04400	4.0
85.02811	10.0
87.00735	45.5
87.04323	2.0
88.03889	4.9
89.02295	5.4
96.99174	2.2
99.00755	12.6
99.04386	18.8
101.02307	20.6
103.00233	2.2
108.04462	2.3
111.00742	37.1
115.00216	14.0
115.03894	7.0
117.00037	4.2
118.03204	4.4
120.99525	48.6
124.98673	2.9
125.02315	100.0
127.00290	2.5
129.01828	6.6
132.06502	3.2
133.01346	2.9
135.04428	9.2
135.05441	2.2
142.99757	5.8
143.03395	7.4
143.07034	4.3
145.01328	12.0
145.04988	2.2
147.03180	10.9
154.99774	2.2
157.01414	2.5
160.04010	3.9
161.04579	3.7
162.05501	57.2
163.05917	4.6
173.00830	2.2
176.07108	3.1
187.02426	10.7
187.03906	1.9
204.99840	2.2
205.01616	3.0
205.03464	20.2
205.07042	10.2
205.15936	4.9
206.04677	3.4
206.08165	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
53.12790	0.3
58.01717	0.7
58.02844	34.8
59.01244	5.6
59.92904	0.3
70.02841	12.8
71.01260	0.6
71.56035	0.4
72.00765	6.2
72.01146	0.3
75.00755	0.3
79.05080	0.4
84.04421	0.5
85.02810	0.5
85.37522	0.4
91.05398	16.4
92.05740	0.6
103.84113	0.4
118.51036	0.4
129.01825	0.6
134.05998	0.4
135.04439	2.1
146.99875	0.5
147.04411	41.2
148.04716	1.2
160.07579	0.4
162.05521	1.5
162.09142	1.6
164.01707	1.3
164.07079	100.0
165.07391	2.7
176.07097	1.0
206.08173	37.4
207.06642	0.9
207.08563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03295	0.4
58.99992	0.3
59.01240	11.7
59.37203	0.3
61.98702	0.6
71.01248	1.2
73.02792	0.4
75.00727	0.7
81.90690	0.3
85.02825	0.5
89.02311	0.3
93.03347	0.3
95.04893	0.9
96.95859	0.5
99.00735	0.8
105.03324	6.7
105.07001	0.3
110.02332	0.7
123.04400	0.7
125.02311	0.6
129.01796	1.8
133.02826	40.0
134.03156	0.5
135.04401	0.5
137.06018	0.4
145.06462	0.5
146.04074	0.3
147.01877	0.3
147.02844	1.7
148.05206	0.4
149.02335	2.7
151.03883	0.6
161.04485	0.5
161.05850	0.3
163.03821	0.3
163.07555	0.8
163.11160	0.5
164.04674	3.0
164.89391	0.3
165.05447	0.6
170.88251	2.1
176.84682	0.3
177.01849	11.9
188.89404	0.3
189.05515	0.4
191.96727	0.9
192.04199	100.0
192.10735	1.0
193.04530	2.6
207.06555	21.4
207.13928	0.6
208.06265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.061
Annotation	(S)-MCPG
Peak:m/z	Relative Intensity
59.01254	3.6
60.01586	1.0
63.74166	0.4
64.47123	0.5
65.64145	0.4
67.84746	0.4
72.00754	0.5
80.29842	0.4
85.02813	0.5
88.03916	0.9
91.05387	0.7
91.73286	0.8
94.02846	0.8
96.95909	0.6
107.04895	3.9
108.04419	0.8
108.08007	0.5
109.02845	0.8
110.02296	1.1
120.04440	0.8
121.02837	1.1
122.02345	1.2
122.03619	1.0
123.04379	0.7
134.05969	0.7
135.04405	21.5
136.03856	3.4
136.07584	1.2
137.02315	0.7
137.05998	2.7
146.05997	1.2
147.04393	1.5
153.98756	0.5
160.03969	1.3
162.05513	14.2
164.07077	100.0
165.07463	2.6
181.01360	0.9
190.05019	20.5
199.02443	0.7
208.06099	40.5
208.09724	2.4
209.06325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1905
Annotation	(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
Peak:m/z	Relative Intensity
50.07951	0.4
54.37130	0.5
59.01226	2.6
61.98680	2.7
83.04839	0.8
85.00179	0.6
89.19670	0.7
92.92651	0.7
93.03313	1.7
94.02825	1.0
96.95837	1.1
97.02827	0.6
111.04369	0.8
120.02023	1.9
121.02819	27.3
124.03903	1.8
128.03366	1.2
141.34972	0.5
144.83638	0.5
153.12743	2.0
155.03442	0.8
160.95180	0.6
162.36000	0.6
164.62688	0.7
164.98132	0.7
166.94136	1.2
173.04443	1.6
191.10648	1.1
193.15935	3.7
208.93111	0.9
209.04338	3.5
209.06168	1.2
209.07925	1.0
209.19051	100.0
209.94850	0.9
210.19421	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	209.1905
Annotation	(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
Peak:m/z	Relative Intensity
52.06831	0.9
59.01226	4.4
61.98689	3.3
67.57413	1.2
78.54773	1.1
89.36964	1.3
93.03310	2.1
93.61427	1.4
94.02847	2.5
96.95842	3.0
103.19234	1.3
108.52841	1.2
120.02010	3.9
121.02827	56.9
122.03194	1.3
124.03900	5.4
128.03433	2.0
134.44220	1.3
153.12738	1.4
166.94191	2.0
170.88226	1.6
172.87920	2.4
173.04413	2.4
193.15897	3.7
209.04362	6.1
209.06049	4.4
209.07802	2.3
209.19049	100.0
210.19403	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	213.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07190	0.7
57.37698	0.6
60.22636	0.7
65.03810	3.3
67.01797	0.9
79.05405	0.9
81.03288	0.9
83.04887	1.3
88.39674	1.0
92.02536	1.2
93.02765	1.1
93.03320	12.0
95.04855	1.5
106.04106	39.5
107.04895	56.9
108.02019	4.4
108.05242	1.0
109.02817	1.2
111.04406	1.1
114.70229	0.8
121.02827	11.7
138.03110	2.5
149.05945	2.7
154.13573	0.9
170.12473	0.8
171.08006	1.5
211.07684	1.0
213.02315	2.7
213.09166	100.0
214.09462	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	213.0914
Annotation	4,4'-Dihydroxybibenzyl
Peak:m/z	Relative Intensity
58.96369	0.6
63.73741	0.6
65.03814	3.2
81.03303	1.8
83.04850	0.9
91.72940	1.9
92.02569	0.8
93.03310	10.7
95.04907	1.0
106.04103	41.3
107.04890	59.2
108.02036	3.9
108.05218	1.8
109.02811	1.2
121.02828	11.2
138.03102	1.8
146.26939	0.7
171.08055	2.8
211.07550	0.8
213.09157	100.0
214.09496	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	213.0915
Annotation	4,4'-Dihydroxybibenzyl
Peak:m/z	Relative Intensity
54.29489	0.5
60.91787	0.6
65.03828	2.9
81.03305	1.3
83.04871	1.3
91.73105	1.3
92.02534	0.9
93.03313	11.5
95.04836	0.7
106.04105	36.0
106.07129	0.7
107.02087	1.1
107.04887	56.3
107.07967	0.8
108.02035	4.1
108.05245	1.6
109.02808	2.2
111.04385	0.9
121.02807	11.9
138.03059	1.8
142.07753	0.6
209.39516	0.6
213.09154	100.0
214.09509	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.6
63.73719	0.6
63.74573	0.5
65.03819	2.2
65.63583	0.7
72.68755	0.6
79.05368	1.0
80.04902	2.7
81.03315	1.7
83.04877	1.8
87.27020	0.7
92.02518	0.9
93.03314	13.6
99.95636	0.7
106.04105	37.6
107.04890	62.3
108.02024	5.1
108.05229	1.2
109.02799	1.9
119.04873	1.4
121.02829	10.6
123.05531	2.8
137.59416	0.8
138.03081	2.1
149.05934	2.6
158.80228	0.6
171.08073	2.2
195.08112	1.2
200.55450	0.7
211.07483	1.2
213.02318	6.8
213.09164	100.0
214.09473	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.94961	1.3
50.95173	1.0
51.38476	0.7
57.03317	50.8
57.04425	1.0
59.01226	1.7
65.03823	3.3
68.50798	0.8
69.03311	8.0
71.04884	6.6
71.05209	1.0
71.29826	0.9
72.13499	1.1
80.04910	3.9
81.03320	5.0
81.06963	5.3
83.04379	1.7
83.04878	32.4
83.05355	1.9
85.06422	6.1
93.03314	10.4
95.04884	20.4
97.06449	46.3
99.08021	21.7
106.04101	36.9
106.04793	1.9
107.04889	71.6
108.02054	6.2
109.02856	1.8
109.06455	2.0
111.04387	6.8
111.08047	2.4
113.05944	20.7
113.09584	5.1
121.02819	10.6
121.06476	3.1
122.03580	1.4
123.04411	2.7
123.05517	3.4
123.08049	2.2
125.05953	16.2
125.09600	13.4
126.03127	2.6
135.04352	1.4
135.08046	2.7
136.05191	3.5
137.05971	2.9
137.09630	0.9
138.03122	2.2
139.11185	13.5
141.12762	3.3
151.07550	1.8
151.11176	12.9
167.10721	2.2
169.12247	63.9
170.12590	2.0
177.09117	6.3
195.10199	97.7
196.10591	3.0
213.09193	100.0
213.11304	49.0
213.14653	2.0
214.09589	3.3
214.11543	1.3
229.62788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84189	3.4
59.01232	17.3
66.03360	5.1
66.46725	3.9
69.03289	5.6
71.01247	11.9
72.00766	19.7
73.02822	6.5
74.02332	16.7
75.00759	5.1
81.03310	9.7
82.61393	3.8
85.02817	8.9
89.02291	10.7
91.11865	3.9
92.56757	3.8
93.03319	11.5
94.06474	8.2
95.04868	4.4
96.04404	4.6
97.02818	6.2
98.05988	13.8
100.07518	5.5
101.02290	7.6
101.54118	3.5
106.04132	8.2
106.06503	4.1
107.04890	83.2
108.02043	16.8
108.04396	7.9
109.02831	16.5
110.03617	6.8
110.05934	7.8
110.50757	3.7
114.05441	22.7
118.06478	14.8
119.04897	100.0
121.02860	7.0
122.06018	7.8
123.04426	9.7
124.03904	9.7
124.07599	5.0
126.05500	4.8
127.03848	4.8
128.03400	30.7
131.32033	4.0
133.05263	5.4
134.03702	5.2
134.06000	37.0
135.04402	26.5
136.07564	92.8
140.07043	5.0
142.06502	6.5
147.04359	6.5
152.07059	11.3
152.10785	5.9
153.12634	5.6
154.04930	6.1
156.06586	10.5
158.08095	7.8
163.04005	9.1
164.07097	35.3
166.04997	9.3
170.06082	5.4
173.22806	4.8
176.07063	7.1
180.06575	96.2
186.05566	35.4
196.06134	10.2
205.85178	5.2
214.01584	4.9
214.05060	65.0
214.07155	35.5
214.09090	8.2
215.01022	7.2
215.13083	4.6
233.51118	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	214.108
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
54.46306	0.7
57.03317	2.2
59.01252	1.9
70.70255	0.7
72.04404	24.5
82.06477	3.1
83.01238	1.7
83.04868	1.3
90.20476	0.9
108.05225	1.1
114.92362	0.9
128.03392	2.9
130.08658	1.3
137.45848	1.3
140.10675	7.3
142.12262	100.0
143.11728	1.3
168.10202	47.4
170.11772	48.6
171.12141	2.0
186.05502	3.0
191.25948	1.0
214.05084	3.7
214.10840	43.6
215.00954	2.0
215.10905	1.7
215.16779	1.0
232.94688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	7.1
57.03334	5.9
59.01242	80.7
69.03290	13.8
71.01241	66.8
72.00739	4.6
72.99181	11.3
73.02792	38.5
74.02327	14.3
76.01331	3.6
78.95760	15.7
79.01774	5.5
79.03425	4.2
81.03323	6.2
82.02843	10.6
83.01246	18.5
83.04883	11.7
84.04397	10.0
85.02808	21.3
86.02334	8.0
87.00735	32.3
88.03881	9.0
89.02297	100.0
93.03294	11.5
96.96824	18.8
97.02811	8.5
99.00732	14.2
99.04390	6.2
100.03867	5.0
101.02296	53.3
109.02814	7.0
111.00739	9.4
111.04361	4.6
112.03931	9.0
113.02303	47.6
115.00255	12.9
117.01794	78.0
119.03338	17.1
125.02328	20.8
126.05483	7.4
127.00224	12.6
128.03407	61.2
128.07069	10.6
129.01804	27.9
129.05470	10.3
131.04485	5.3
133.01303	5.9
137.02321	5.4
141.01776	5.9
143.03362	10.0
149.04414	5.7
151.66042	5.4
153.01817	13.5
153.12724	5.4
154.04965	4.8
154.99844	5.1
155.03352	9.4
161.04462	7.4
170.04416	8.9
179.05511	30.3
188.07077	12.7
197.00853	9.7
214.99107	4.8
215.01247	17.1
215.03307	20.8
215.05559	11.9
215.10318	37.8
215.12373	6.5
216.06786	22.9
218.79523	5.3
226.05524	5.5
232.28120	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	215.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	7.1
57.03334	5.9
59.01242	80.7
69.03290	13.8
71.01241	66.8
72.00739	4.6
72.99181	11.3
73.02792	38.5
74.02327	14.3
76.01331	3.6
78.95760	15.7
79.01774	5.5
79.03425	4.2
81.03323	6.2
82.02843	10.6
83.01246	18.5
83.04883	11.7
84.04397	10.0
85.02808	21.3
86.02334	8.0
87.00735	32.3
88.03881	9.0
89.02297	100.0
93.03294	11.5
96.96824	18.8
97.02811	8.5
99.00732	14.2
99.04390	6.2
100.03867	5.0
101.02296	53.3
109.02814	7.0
111.00739	9.4
111.04361	4.6
112.03931	9.0
113.02303	47.6
115.00255	12.9
117.01794	78.0
119.03338	17.1
125.02328	20.8
126.05483	7.4
127.00224	12.6
128.03407	61.2
128.07069	10.6
129.01804	27.9
129.05470	10.3
131.04485	5.3
133.01303	5.9
137.02321	5.4
141.01776	5.9
143.03362	10.0
149.04414	5.7
151.66042	5.4
153.01817	13.5
153.12724	5.4
154.04965	4.8
154.99844	5.1
155.03352	9.4
161.04462	7.4
170.04416	8.9
179.05511	30.3
188.07077	12.7
197.00853	9.7
214.99107	4.8
215.01247	17.1
215.03307	20.8
215.05559	11.9
215.10318	37.8
215.12373	6.5
216.06786	22.9
218.79523	5.3
226.05524	5.5
232.28120	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	215.0708
Annotation	Nepodin
Peak:m/z	Relative Intensity
52.16468	0.8
59.01223	3.3
67.01747	16.7
71.01223	1.6
73.36061	0.8
83.04850	1.6
89.02290	1.5
92.02570	1.4
93.03294	4.3
95.01230	1.2
106.04111	6.8
108.02028	4.7
108.05215	1.7
109.02824	2.4
113.52177	0.9
116.33312	1.0
119.04842	3.6
121.02823	13.6
130.04132	6.3
137.02324	2.4
137.41096	1.0
143.04922	9.3
143.08571	1.2
144.00752	2.0
145.06445	11.0
147.04413	7.9
156.05760	1.3
157.06407	1.7
158.03664	1.0
159.04283	1.3
159.07997	2.7
167.74205	1.1
169.06496	11.4
171.04393	15.6
171.08006	9.0
172.05234	6.0
173.05981	33.3
185.05992	1.3
187.07570	30.1
188.07098	3.3
197.05974	2.4
200.04723	1.3
214.98915	2.0
215.00935	14.1
215.07079	100.0
215.12679	5.5
215.16457	3.6
216.06488	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	215.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45907	1.5
51.46130	0.6
53.62149	0.5
54.38110	0.5
56.05730	0.5
58.02822	2.0
59.00975	0.5
59.01241	6.8
66.33755	0.4
71.01243	5.4
72.00756	4.0
73.02789	0.6
74.01940	0.9
74.02329	9.9
80.04927	0.5
82.02840	7.5
82.95193	0.4
84.02473	0.6
84.04403	18.6
85.02796	1.1
86.02328	14.9
89.02293	11.2
92.04912	10.2
97.02830	0.7
98.02332	0.7
101.02315	4.4
101.07060	0.7
113.02293	2.1
114.09095	0.6
116.03430	1.0
116.04922	9.4
119.03345	1.5
125.02291	0.7
128.03407	13.7
128.10680	4.3
131.03322	0.6
139.30151	0.5
140.10678	1.5
141.10213	7.0
142.06499	4.6
142.12254	1.7
143.03334	0.8
144.08066	1.4
149.04492	0.6
154.06471	1.0
154.12239	1.3
156.06828	1.1
161.04518	0.9
167.11763	4.2
168.08929	0.6
169.07607	1.6
169.09744	1.2
169.13374	6.3
171.09192	9.9
171.14949	10.3
171.16405	0.7
179.05548	2.9
195.11273	1.3
197.12888	65.2
197.62924	0.5
198.13187	2.4
215.00960	1.5
215.03258	2.4
215.05952	1.1
215.08223	5.9
215.13960	100.0
216.14172	2.7
216.44412	0.6
224.35519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.077
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.56772	1.1
59.01241	8.9
61.98667	3.2
72.00774	9.1
74.01949	1.9
74.02331	33.9
75.00710	2.4
80.10777	1.2
82.91757	1.1
83.04887	1.5
86.02325	8.4
92.04900	2.4
95.91064	1.3
96.95869	3.1
98.95427	3.4
116.04895	2.7
118.06464	2.7
124.31512	1.8
130.06474	4.1
131.03664	7.1
132.04430	100.0
133.04756	3.2
140.51619	1.4
144.04437	71.5
145.04860	3.5
147.05495	1.6
157.06403	2.9
157.07614	52.2
158.04829	2.0
158.06012	18.1
158.07965	1.6
165.57147	1.3
173.07140	1.5
175.03915	4.6
175.08694	20.4
176.06998	1.6
201.06578	5.0
202.04938	2.2
210.50259	1.2
219.07698	83.8
219.17482	47.0
220.06050	1.5
220.07979	3.0
220.17911	2.2
239.13715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0451
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
53.37790	0.3
55.01752	9.5
59.00007	1.1
59.01243	65.3
59.02334	0.9
60.60809	0.4
71.01246	1.2
73.02808	3.0
74.02339	1.2
77.03803	0.4
82.02853	0.7
83.01253	0.4
85.02813	1.4
89.02313	0.9
94.02860	1.1
101.02316	1.4
113.02315	0.8
115.05391	1.8
124.03893	2.3
131.03362	1.8
131.04906	9.9
131.68060	0.4
133.02286	1.2
133.06470	100.0
134.06819	2.7
145.68117	0.4
150.94739	0.5
158.03618	0.8
159.04422	12.0
161.04436	4.9
177.05479	4.2
177.12692	0.4
178.98470	0.6
203.03389	3.4
203.10678	0.8
220.17796	0.5
220.99504	0.7
221.04523	7.2
221.06866	1.2
221.11809	0.9
222.07693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.66891	0.8
57.03301	1.8
59.01242	40.7
61.98687	1.7
63.95336	0.9
69.03311	9.6
71.01249	5.8
71.04866	3.9
73.02783	3.6
74.19661	0.9
80.76679	0.9
83.04874	1.8
85.02787	2.5
85.06493	1.1
89.02287	2.1
95.04899	1.6
97.02795	1.3
97.33675	1.0
101.02321	3.2
109.06433	2.0
113.02305	2.1
121.02825	1.4
125.57841	1.1
135.11696	1.2
141.01576	7.9
149.09621	1.9
153.88046	1.0
163.06000	1.3
167.10680	10.1
179.10638	6.0
179.14331	11.1
195.04417	3.1
195.13818	24.8
196.14049	1.3
205.12282	22.5
213.79454	1.1
223.04028	1.8
223.08247	11.2
223.13351	100.0
224.13727	3.8
242.88876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.056
Annotation	2-Amino-2-deoxyisochorismate
Peak:m/z	Relative Intensity
50.56667	0.7
54.49740	0.7
59.00969	1.6
59.01244	20.9
60.99154	1.1
72.30587	0.7
80.04911	14.4
91.05411	1.9
92.04895	0.9
95.04885	1.1
103.04127	13.3
106.06474	7.3
108.04414	18.3
108.08056	8.5
109.06459	1.8
116.04944	0.9
118.03236	1.1
118.06492	81.4
118.10042	0.9
119.06824	1.9
121.05181	6.0
126.29359	1.4
134.05984	2.9
136.03935	2.7
136.07558	38.3
137.07941	1.2
152.05820	2.1
152.07054	40.7
162.05540	2.9
180.06577	100.0
181.06950	2.4
224.03342	1.2
224.05603	25.2
224.09030	1.7
225.05782	1.9
225.08710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0552
Annotation	Dithranol
Peak:m/z	Relative Intensity
56.38859	0.1
56.39103	0.2
59.01233	0.2
66.52052	0.1
75.56820	0.1
80.84993	0.1
93.03320	0.1
101.05930	0.2
126.90367	0.2
137.13751	0.1
155.04944	0.1
165.91211	0.2
167.04950	0.2
169.06438	1.0
179.04959	0.5
180.05717	1.0
181.06438	0.3
182.03690	0.1
183.42404	0.1
195.04434	0.6
196.05238	6.0
197.06009	5.7
198.06409	0.2
206.03534	0.1
207.04469	1.1
208.05229	5.9
209.05527	0.4
220.07625	0.2
223.03967	0.5
224.04753	19.7
224.96928	1.0
225.05530	100.0
226.05859	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	225.0876
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
58.02841	3.2
59.01236	3.0
61.18727	1.1
66.03336	1.4
67.01735	5.8
69.03320	8.0
70.02808	1.2
71.01225	1.4
72.00766	3.0
74.02325	9.4
76.39999	1.2
79.01732	6.2
80.43787	1.2
82.02842	60.4
84.04391	9.6
84.59094	1.2
86.02315	3.2
87.00719	1.2
92.21509	1.3
93.03323	1.4
94.02843	3.8
96.04407	16.4
96.95834	1.8
97.02804	1.9
101.07063	8.4
108.04408	1.3
109.02858	1.9
110.02341	5.8
110.05988	1.6
112.03911	4.7
114.05505	1.9
123.04408	1.7
125.02351	1.4
127.05013	6.2
128.03410	19.8
135.06396	1.5
136.03918	2.4
136.07578	3.7
137.02351	2.9
137.03432	6.7
137.07910	2.7
138.05536	3.7
152.07121	1.9
153.07468	2.7
162.34601	1.3
164.06990	4.1
164.98299	1.3
165.07512	2.3
179.05664	2.9
179.08260	3.1
180.06541	1.8
181.06946	7.5
181.09746	61.6
181.12166	2.4
207.07700	23.4
209.90411	5.7
225.08783	100.0
226.09148	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	225.1128
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
59.01225	2.8
63.95320	0.6
65.31892	0.6
73.02802	20.5
83.04912	0.8
93.03279	0.9
95.04860	1.6
106.43567	0.7
113.05956	1.0
130.10977	0.7
130.99686	0.9
137.94569	0.7
163.11177	9.8
181.12253	100.0
181.18750	1.2
182.12625	2.8
207.10283	2.6
209.90474	1.5
225.05548	2.0
225.11296	26.1
226.11580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1604
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.15863	0.9
55.49941	1.1
57.03278	1.0
59.01246	8.4
71.01246	5.5
71.92426	1.0
72.04407	1.6
75.00716	3.5
81.03313	15.5
83.02924	1.1
83.04878	76.7
85.02796	1.9
87.00728	1.3
89.02299	6.0
93.03329	2.9
95.04894	1.6
96.95856	4.0
97.02773	1.9
99.00730	1.1
109.02783	1.7
111.04357	2.4
113.02285	2.3
119.03373	1.3
123.04366	2.5
125.07110	2.9
126.90375	1.6
135.04387	2.7
137.02316	2.6
137.05972	1.7
139.03847	4.0
143.08107	2.6
145.08658	1.9
149.06027	1.2
151.03879	2.5
153.05502	1.6
154.12268	7.8
165.01787	1.9
165.05473	3.5
166.04942	1.6
177.12498	1.2
179.05493	5.7
182.11765	3.1
207.14981	10.5
224.90405	1.8
225.04082	2.4
225.07626	11.6
225.16052	100.0
226.10857	3.8
226.16388	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0921
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.17981	0.3
50.62097	0.3
52.09680	0.3
55.01751	0.9
57.03322	0.6
59.01233	1.6
60.99153	0.6
61.42777	0.3
69.03307	0.9
71.01251	0.5
71.04880	6.1
73.02808	0.7
81.03313	11.7
83.02774	0.9
83.04878	61.1
83.06746	0.9
84.05215	0.9
85.02791	0.6
85.06444	4.4
85.85728	0.4
93.03321	0.4
95.04936	0.6
97.06452	2.8
99.04375	2.8
109.06476	0.7
111.04365	0.7
111.08006	1.3
119.08473	0.4
121.02824	2.7
121.06422	0.4
121.10094	5.3
123.04372	4.2
123.08029	1.8
125.02328	1.3
126.03078	0.4
127.03908	3.2
127.07468	0.7
136.05183	1.9
137.05954	0.8
137.09581	2.0
139.11169	25.8
140.11501	1.0
147.08037	15.7
148.08337	0.5
150.06682	0.4
163.07571	0.6
165.09108	42.8
166.09445	1.6
168.04242	0.9
171.20990	0.4
183.10184	100.0
184.10536	3.8
191.07065	3.0
209.08134	41.9
210.08545	0.8
211.90134	0.5
227.07127	2.0
227.09196	19.3
227.20114	2.0
228.07452	0.4
228.09685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1397
Annotation	Leucylproline
Peak:m/z	Relative Intensity
54.46326	0.1
58.02840	1.2
59.01243	0.1
59.05310	0.1
59.25829	0.1
70.78387	0.1
70.78768	0.1
71.01245	0.1
72.00762	1.9
72.04409	0.2
74.00475	0.1
74.02329	7.4
74.04010	0.1
79.65623	0.1
82.02836	2.3
82.35150	0.1
84.04404	8.8
84.06425	0.1
85.02811	0.4
86.02329	2.7
101.07051	0.7
109.03958	0.1
110.02357	0.1
113.74175	0.1
113.74928	0.1
122.09621	0.2
126.09123	0.1
127.05012	0.3
128.03406	14.5
128.07156	0.2
129.03802	0.1
138.05501	0.1
140.10698	3.2
152.10675	0.8
153.10219	1.6
154.12279	0.6
163.12389	0.1
166.12286	0.7
179.11827	1.2
181.09819	0.1
181.13370	2.3
183.14949	6.4
184.15376	0.2
207.11348	0.2
209.12900	16.3
210.13200	0.7
211.90060	0.1
227.13971	100.0
227.22748	1.0
228.14299	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	229.0864
Annotation	bis-(4-hydroxybenzyl)ether
Peak:m/z	Relative Intensity
58.87904	0.5
59.01258	1.0
65.76524	0.5
66.07549	0.4
68.99696	0.8
71.01247	0.9
81.03333	1.2
81.06966	0.5
83.04905	0.9
85.02819	0.9
93.03307	7.0
95.04887	0.8
97.29082	0.5
99.04381	1.6
100.64352	0.5
106.04093	3.0
107.04883	3.0
108.02029	45.6
109.02841	6.0
109.98683	0.6
113.02331	0.5
121.02819	9.4
122.03609	58.0
123.04389	100.0
123.07815	1.3
124.01502	0.7
124.04730	1.7
130.08595	0.7
135.04408	1.0
136.01511	1.6
137.02339	3.5
154.02592	1.3
159.08025	0.9
171.06779	1.1
186.09181	6.8
187.08626	2.4
198.75310	0.6
211.07515	1.5
212.41614	0.5
214.07227	0.6
229.08568	71.7
230.04599	0.7
230.08806	2.6
240.72478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0867
Annotation	CHEBI:70631
Peak:m/z	Relative Intensity
52.38898	0.5
59.01234	2.0
62.00927	0.6
65.03825	1.4
71.01222	2.0
73.02803	1.1
78.95761	0.8
87.00703	0.9
89.94855	0.6
93.03322	3.2
95.63030	0.7
97.56532	0.6
99.36503	0.7
107.04885	47.0
108.02020	2.0
108.05299	1.2
109.02826	1.7
121.02824	21.1
122.03604	54.3
122.07166	0.8
123.04449	4.3
124.01526	3.6
136.01515	1.3
137.02313	5.8
139.03857	1.6
146.86606	1.0
154.02586	6.2
170.88252	6.0
175.78703	0.8
185.05981	2.1
188.89407	0.8
229.08676	100.0
229.14476	2.2
230.09041	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	229.0866
Annotation	Diorcinol
Peak:m/z	Relative Intensity
59.01237	2.6
63.07943	0.8
81.03322	1.0
83.04865	0.9
91.72987	2.2
93.03310	3.6
95.20332	1.0
99.00730	1.0
99.01934	0.9
99.07279	0.9
106.20368	0.9
107.04890	39.4
107.40444	1.2
108.02026	3.1
109.02802	2.3
121.02830	17.0
122.03609	55.8
122.07467	1.2
123.04437	8.6
124.01538	4.0
136.01550	2.0
137.02312	5.9
147.04422	10.8
153.69077	0.9
154.02596	7.0
167.14342	2.6
168.14645	1.2
170.88237	2.1
211.13370	2.8
212.13850	1.6
228.16028	9.9
229.08676	100.0
229.14445	5.5
229.16348	6.7
229.18393	1.9
230.09062	4.9
230.14792	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	229.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75269	0.7
53.37931	0.6
56.53876	0.6
58.02837	6.7
59.01237	1.0
65.15992	0.8
65.82463	0.6
67.16401	0.6
74.02330	60.3
74.03980	0.9
85.03936	1.1
93.03342	0.8
101.05981	1.2
102.12717	0.9
107.04885	6.9
109.02805	1.1
112.02644	0.9
112.98695	0.7
121.02796	2.4
122.03615	10.2
123.04417	4.5
126.09127	3.4
126.20222	0.7
130.08611	0.9
133.79436	0.7
143.11789	100.0
144.12183	3.5
154.02548	1.1
154.08629	9.5
156.73351	0.7
160.71796	0.7
165.60127	0.7
167.11798	1.9
171.50929	0.8
185.12865	12.7
187.10780	5.0
193.09761	0.9
229.05167	1.4
229.08701	17.7
229.11929	34.4
229.14102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72397	0.1
57.03316	0.3
59.13284	0.3
65.03822	0.3
81.03321	4.3
83.02928	1.7
83.04879	100.0
83.07107	1.0
84.05211	2.0
93.03313	4.3
106.04128	0.2
107.04891	5.5
112.43404	0.2
119.04886	0.3
119.17360	0.2
125.02339	0.9
125.05955	59.5
125.10035	0.4
126.06263	1.5
137.05948	0.2
143.48149	0.2
149.13451	0.2
173.05963	0.3
187.07603	1.1
189.09134	2.1
213.09198	1.0
230.52075	0.2
231.10245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90625	0.1
52.32173	0.1
54.23967	0.1
54.66599	0.1
55.42801	0.1
57.03299	0.3
59.01228	0.2
60.94779	0.1
74.08590	0.1
78.86964	0.1
81.03313	4.0
83.02926	1.6
83.04877	100.0
84.05206	1.3
89.39524	0.1
93.03310	0.3
96.21044	0.1
107.04890	2.1
125.02222	0.8
125.05952	63.1
126.06303	1.4
187.07582	0.4
231.10342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64625	0.2
57.03307	0.3
59.01239	1.3
59.13285	0.3
65.03811	0.7
72.99179	0.3
75.00716	0.3
79.05388	0.4
81.03313	4.6
83.02925	1.7
83.04877	100.0
83.07095	1.0
84.05206	1.6
88.46775	0.2
88.71394	0.2
93.03315	5.0
95.04881	0.3
106.04105	0.7
107.04887	21.6
108.05232	0.7
115.07516	0.3
119.04914	0.6
123.94467	0.3
125.02377	0.8
125.05952	55.5
126.06285	1.2
137.05988	0.6
151.07614	0.4
170.88271	0.5
171.10210	0.7
173.05977	0.7
187.07568	1.6
189.09132	5.5
209.20831	0.2
213.09146	2.6
231.03105	0.3
231.06706	0.5
231.10228	3.1
231.12419	1.8
232.10396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61256	0.9
50.61471	0.3
52.59144	0.6
52.59361	0.2
52.96894	0.2
59.01240	1.8
60.01560	0.2
86.82844	0.3
87.29356	0.2
109.02818	1.4
119.04858	0.3
120.99521	1.4
134.02339	2.2
135.04404	1.8
136.03951	0.7
147.03239	0.4
147.04356	0.3
148.03909	0.5
148.05127	0.5
159.04494	0.3
160.03934	11.9
161.04698	7.1
162.05423	0.8
163.07532	5.6
168.52336	0.3
173.04718	0.7
173.06023	0.8
174.05545	2.9
174.26675	0.3
175.06297	4.2
188.07098	13.4
189.07610	0.7
190.01544	1.0
190.08661	100.0
191.09013	4.2
192.06677	0.3
207.05301	0.3
215.05841	1.1
216.06616	49.3
217.06934	2.5
227.16641	0.2
234.07692	33.2
235.08101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1496
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01242	2.8
60.01584	0.9
93.03308	0.2
94.02824	0.3
94.03648	0.4
109.91136	0.1
110.27835	0.1
117.39333	0.1
123.03129	0.1
126.29390	0.1
165.09044	0.1
173.04474	0.2
174.04819	0.5
179.07043	0.5
183.32713	0.1
185.79060	0.1
204.10268	0.2
204.15149	0.4
207.13795	0.4
217.06206	0.1
218.11827	2.8
219.12601	1.2
222.71582	0.1
234.04767	0.7
234.14967	100.0
235.15305	4.2
251.11630	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	235.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68446	0.2
59.00011	1.7
59.01241	100.0
59.02299	1.1
60.01577	0.6
61.01658	0.2
69.03353	0.3
71.01238	1.1
71.36948	0.3
73.44298	0.2
78.89555	0.3
79.71298	0.3
91.40238	0.3
91.73115	0.6
93.03313	0.3
94.02847	0.4
95.04869	1.4
106.04113	0.5
107.04853	0.3
109.06474	0.5
120.05682	0.3
123.08063	0.7
134.07266	0.4
147.08052	1.0
149.09579	1.4
161.09602	0.4
163.11180	32.5
164.11516	1.0
175.11209	0.9
189.12810	0.7
191.14334	12.8
192.14569	0.6
217.12277	2.5
235.13361	35.5
236.13727	1.9
236.96663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0925
Annotation	Funebral
Peak:m/z	Relative Intensity
53.09946	0.8
59.01241	1.7
61.98688	1.3
64.73529	0.8
69.03340	0.8
71.01237	1.2
73.02788	0.9
75.00742	2.7
81.03263	0.6
82.02836	1.9
84.04427	0.7
85.02807	1.1
87.00740	2.4
88.03885	5.8
90.98448	1.1
94.02836	2.2
95.01254	1.0
95.04852	0.6
100.03900	7.6
105.03693	0.9
107.04916	0.9
108.02051	0.6
108.04422	0.8
114.05467	1.4
115.00245	1.9
116.07053	0.8
120.01141	1.1
120.99504	3.3
121.99854	1.5
122.03601	11.1
122.04404	1.1
123.04395	30.4
124.04709	0.9
129.01813	1.5
134.05951	0.8
135.04390	9.8
137.02332	1.1
138.29984	0.6
141.38794	0.6
146.05968	1.1
147.03114	0.7
147.04401	17.3
148.05241	3.2
148.07544	0.6
149.02657	2.1
149.04683	1.6
149.05927	0.9
150.05527	0.8
153.59721	0.8
154.02652	1.0
159.04411	10.7
161.05975	12.4
162.05482	2.5
162.06740	4.0
163.07530	9.9
174.05563	2.2
174.09132	0.9
175.07558	30.0
176.08018	1.1
177.05504	1.3
180.00529	1.2
181.01395	1.0
190.08659	32.0
191.09349	3.7
192.06683	3.5
192.10228	100.0
193.10524	4.5
193.12225	1.5
194.08075	1.0
199.02484	0.8
200.07222	1.0
218.08243	7.1
236.05557	2.3
236.09244	29.0
237.04214	0.9
237.09561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1447
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
57.03317	1.1
59.01243	63.8
59.02414	1.6
61.98684	1.0
66.03330	1.5
66.78622	0.9
67.46850	0.9
69.03306	3.5
70.02827	1.4
71.01239	7.6
72.02027	10.6
73.02804	2.5
82.02870	1.0
82.06486	7.2
83.03645	5.6
84.02026	5.3
84.04402	5.6
84.08041	4.7
85.02800	2.6
86.05976	5.7
87.00732	13.7
89.02331	1.7
92.04896	1.8
94.02859	2.0
94.06503	2.2
95.04903	3.0
96.04408	84.7
96.06866	1.8
97.02825	1.8
97.04694	1.3
97.05235	2.5
97.06444	29.8
97.07061	1.8
98.02327	2.0
99.00742	3.9
101.02277	2.6
101.71967	1.0
105.07679	1.1
107.04901	3.5
109.06444	2.0
110.05977	7.5
111.08019	5.3
112.07544	85.6
113.07872	1.6
117.01827	2.7
123.08025	5.3
124.03863	1.3
125.02316	2.2
125.05956	100.0
125.09568	1.4
125.74168	1.2
126.06255	2.5
127.14900	1.0
141.01790	2.7
141.09097	24.6
141.51361	1.1
150.05493	3.3
150.09149	2.9
161.04468	14.1
164.10736	4.7
168.06526	10.3
168.10191	1.8
177.03949	1.6
179.05525	70.7
194.12628	3.3
202.12372	1.6
220.13394	6.9
238.11966	1.4
238.14461	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	241.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50699	0.7
56.84035	0.6
59.01233	2.2
61.98692	5.3
65.03822	1.5
67.01733	0.9
71.01243	1.1
78.95778	1.5
79.01743	3.5
81.03295	1.5
83.04876	0.8
87.90308	0.8
91.72710	1.9
93.03297	5.5
95.04872	1.8
96.96766	0.9
103.00208	5.7
103.29514	0.8
105.03336	6.9
107.01250	1.8
107.04893	2.2
108.02060	0.9
109.02815	27.9
110.03163	0.9
111.04341	1.1
112.03907	1.0
115.61662	0.8
121.02818	7.8
123.04385	16.0
124.01572	1.1
125.02318	3.1
133.02823	4.8
136.01509	1.4
137.02325	100.0
138.02966	3.2
139.03903	30.0
140.04323	1.3
149.02327	3.8
149.31729	0.8
151.03920	7.7
153.01833	2.6
155.03395	57.7
156.03677	1.3
161.02391	1.6
164.01003	1.7
165.01839	7.6
166.02660	2.0
167.03410	33.1
177.01859	27.1
178.02277	1.4
179.03442	4.6
181.01347	10.1
181.05984	1.2
183.02888	3.5
193.01288	3.4
194.02177	4.1
195.02931	45.4
196.03238	1.7
199.02423	7.4
204.08058	0.8
205.01288	1.3
213.04030	3.5
218.73724	0.9
223.02451	32.3
241.03517	62.2
242.03844	1.4
260.54474	1.0
264.61508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0503
Annotation	Moracin M
Peak:m/z	Relative Intensity
50.34606	0.2
54.12598	0.3
56.23963	0.2
59.01239	1.8
59.96862	0.2
61.01665	0.3
61.98689	0.6
69.03297	0.3
71.01242	0.3
72.84188	0.2
75.00743	0.3
81.58584	0.3
84.87437	0.2
86.56219	0.4
89.01334	0.2
91.01749	1.5
92.02527	0.7
93.03284	0.3
95.01234	0.8
108.02029	5.3
108.62466	0.2
109.02816	0.4
119.01247	3.4
121.02814	11.4
122.03124	0.2
123.04370	0.9
129.06979	0.4
135.97423	0.6
136.01535	44.7
137.02328	22.7
138.02560	0.6
151.03877	0.6
157.06532	1.6
169.06529	1.3
171.04442	0.4
179.05434	0.3
181.05949	1.0
184.05170	0.7
185.05974	1.8
192.76872	0.3
195.04446	2.1
197.06013	6.3
198.06543	0.3
212.04668	1.0
213.05513	3.4
222.28105	0.3
223.03889	1.2
238.83905	0.3
239.03493	0.4
240.95323	1.0
241.05031	100.0
242.05414	4.2
242.17653	0.4
264.06665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03308	3.4
59.01242	100.0
59.02395	1.5
60.01559	1.0
61.01661	1.7
67.05375	0.7
69.03300	1.0
69.27825	0.8
70.94756	0.8
71.01244	1.3
71.04891	1.5
73.02814	1.7
81.62252	0.8
87.00732	1.5
96.95876	2.8
97.06450	1.3
103.85017	0.9
119.08564	2.4
121.02892	1.1
122.07203	0.9
137.09581	6.4
138.77718	1.0
151.11131	1.1
153.12746	1.8
161.09535	1.3
163.07518	1.6
169.43286	0.9
178.05466	0.9
179.05547	1.3
179.10674	5.2
179.97348	1.0
179.99028	0.8
181.05952	2.5
181.08627	12.9
197.11761	44.8
197.18637	1.0
198.11995	1.2
223.09798	1.5
241.05032	2.7
241.10953	15.7
241.18176	2.1
241.21741	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	241.2169
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
50.53722	0.4
52.98794	0.4
54.71479	0.3
55.73772	0.3
59.01230	1.3
60.82942	0.4
65.22553	0.4
71.01244	0.4
78.20815	0.4
78.24406	0.5
82.44241	0.4
89.65958	0.4
91.66447	0.5
91.73328	0.4
96.67953	0.4
108.38000	0.5
120.56787	0.4
125.87215	0.5
160.84113	0.6
162.83777	0.8
181.05887	0.6
237.70253	0.5
241.05180	0.6
241.21701	100.0
242.17747	0.7
242.22015	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	242.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52174	0.3
50.73318	0.4
52.53022	0.3
57.26357	0.5
57.26924	0.4
59.01248	0.7
61.97279	0.9
61.98695	100.0
61.99955	1.8
66.03348	1.4
68.29180	0.4
71.01244	0.5
74.85565	0.4
78.95768	1.8
79.01785	0.4
80.96387	0.9
82.02842	2.4
94.02831	0.5
96.00755	0.6
96.96841	1.1
109.02811	1.3
110.02357	7.4
110.03090	0.7
111.01842	0.5
116.71689	0.5
118.31857	0.4
122.02322	0.8
122.97498	0.5
124.04694	0.5
125.02309	0.5
128.03424	0.7
137.02339	1.7
138.02655	3.6
139.03871	0.6
140.03366	0.9
140.04309	1.0
152.03445	1.4
153.01785	0.5
153.02939	0.6
155.03407	1.6
156.03723	1.8
166.02225	0.6
167.03394	0.5
168.03796	1.3
175.54211	0.4
177.01985	0.5
178.02234	0.8
180.06549	0.4
193.33693	0.5
195.02765	0.4
196.03326	2.3
200.02797	0.8
200.05623	3.0
224.02763	1.2
242.01675	0.7
242.03934	3.0
243.01659	1.5
243.06296	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	242.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26978	0.3
51.75824	0.3
53.10925	0.3
57.25844	0.3
57.26102	0.4
57.26416	0.5
57.26855	0.3
58.09645	0.3
59.01248	0.4
61.97514	1.3
61.98692	100.0
62.00056	1.6
66.03349	0.4
66.11225	0.3
73.37137	0.3
74.49957	0.3
76.02149	0.3
78.95762	0.8
82.02856	0.5
110.02357	0.6
145.06046	0.4
150.61725	0.4
161.02942	0.3
168.02667	0.7
168.81509	0.3
200.05623	0.4
224.78558	0.4
242.06770	0.5
243.06248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.48250	1.0
57.03303	2.2
59.00076	1.4
59.01241	83.2
59.02504	1.1
60.01579	0.8
66.03329	1.7
72.85308	0.6
73.02802	3.3
79.49708	0.9
82.02843	4.0
88.03904	1.0
94.69449	0.6
95.04955	0.7
99.30869	0.6
110.02338	11.0
111.01817	1.2
113.68710	0.7
122.02283	1.1
124.03916	0.8
137.09599	0.9
139.11165	37.4
140.03372	1.2
140.11444	1.6
141.64275	0.8
144.37979	0.8
152.03400	2.2
153.02869	1.4
163.11095	1.9
165.09122	1.6
181.10658	1.4
181.12254	23.9
181.50420	0.7
182.12529	0.9
183.10184	51.5
184.10510	1.1
190.02281	0.7
192.09856	0.7
199.13324	19.7
200.05620	3.5
225.11276	15.4
229.27623	1.8
243.06676	3.3
243.12355	100.0
244.12674	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41187	0.6
58.99964	1.2
59.01243	100.0
59.02381	2.0
60.01587	0.6
61.98694	2.9
66.03349	2.6
68.01264	0.9
71.01248	2.8
71.04867	0.7
82.02827	3.9
83.01265	0.7
83.04894	0.9
85.02827	1.0
87.00753	1.9
94.02874	1.2
95.04854	0.6
97.02814	3.8
98.43516	0.8
104.60291	0.7
105.06992	1.3
107.04898	0.9
108.05711	2.1
109.02822	1.5
110.02350	18.3
110.03071	1.3
111.01881	1.5
111.04442	1.3
111.80482	0.6
112.03915	0.6
113.02354	0.7
113.05965	3.1
118.53457	0.6
122.02348	1.6
122.03600	1.6
123.04427	1.3
123.08058	2.6
124.03911	1.2
125.05973	3.7
130.08623	0.8
136.05165	0.8
137.02353	1.3
137.06006	1.9
138.06784	3.0
139.07529	9.1
140.03456	2.7
151.07547	17.7
151.08727	1.2
152.03462	3.9
152.04623	1.5
152.08284	2.4
153.02917	1.6
153.05487	0.8
153.09105	2.2
167.07050	0.8
177.10437	0.7
183.10266	3.0
184.04033	0.7
200.05595	7.1
209.77718	0.7
243.06401	5.3
243.08749	3.4
243.17221	2.3
244.06284	1.0
244.09920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48271	0.7
57.03319	2.8
58.99968	1.3
59.01242	72.6
59.02346	1.2
60.01572	0.3
60.99174	0.3
63.07373	0.3
65.04942	0.3
66.03343	0.5
69.03315	0.3
71.04875	0.4
73.02805	4.4
82.02850	0.9
83.04903	0.6
85.02810	0.4
95.04898	0.6
97.06453	0.5
110.02340	2.9
122.02386	0.3
129.05450	0.9
137.09610	1.2
139.11168	44.1
140.11502	1.4
152.03384	0.7
155.10699	0.7
163.11212	1.6
165.09125	2.1
173.18396	0.4
178.21968	0.3
181.12259	26.0
182.12711	0.7
183.10184	56.4
184.10516	2.2
192.93419	0.4
199.13330	20.6
200.05627	1.2
200.13649	0.8
224.76898	0.3
225.11290	16.4
226.11652	0.4
229.27640	0.8
242.84341	0.3
243.12360	100.0
244.12598	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	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
53.79704	0.2
57.66633	0.3
59.01240	0.4
59.62606	0.3
62.96267	0.4
77.73843	0.3
78.94021	1.5
78.95761	100.0
78.97756	1.1
94.97932	0.5
96.96823	9.2
109.47482	0.3
113.50945	0.3
116.08110	0.3
119.03294	0.3
135.54608	0.3
147.04910	0.3
150.97905	1.0
152.94725	0.6
152.99477	68.8
153.99823	0.5
154.89836	0.4
171.00546	32.1
172.00891	0.6
199.85580	0.3
226.95883	0.3
245.04306	74.1
246.04675	2.1
265.89127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87680	0.7
58.95383	1.0
59.01233	0.7
66.15165	0.7
68.99659	0.9
69.03310	1.1
77.49823	0.8
81.03321	1.8
83.01226	0.9
83.04871	1.5
85.02798	9.3
93.03333	7.2
95.04850	2.0
97.02809	3.0
106.86418	0.7
107.04881	1.3
108.02012	3.1
109.02841	6.3
111.04386	5.9
119.04894	7.2
121.02817	5.9
122.03642	3.5
122.87041	0.7
123.04393	13.6
124.01523	7.9
125.02310	2.6
130.04124	0.9
131.04893	2.1
133.06454	1.2
135.04384	2.7
137.02342	4.6
138.03107	5.0
139.03897	12.9
145.06471	3.2
147.04395	2.7
147.08070	0.8
149.05939	1.5
156.05611	0.8
157.06474	6.7
158.03683	1.0
159.04411	24.2
160.05106	1.4
161.05952	1.0
171.08064	5.7
172.05136	1.3
173.05984	7.2
174.06709	1.7
175.06061	1.1
175.07562	18.5
181.06461	1.4
183.04340	1.0
183.08141	1.6
184.05276	1.5
185.06039	3.1
187.03885	4.9
188.04562	1.2
188.99507	0.8
189.09154	1.6
197.05994	1.8
199.07613	8.4
200.04762	1.0
201.05505	18.5
202.06281	8.1
203.07103	11.3
208.05211	1.4
209.06084	2.2
210.06799	4.1
212.04761	2.0
217.05115	0.9
217.08691	8.7
225.05598	1.0
226.06343	1.9
227.07101	62.6
228.07414	4.1
245.08180	100.0
246.08548	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	245.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92100	0.6
55.10064	0.6
57.03300	1.2
58.95388	1.7
58.95633	0.7
59.01229	3.4
68.99663	1.0
69.03301	2.1
81.03299	2.0
81.73509	0.8
83.01237	2.0
83.04865	1.7
85.02299	1.1
85.02798	12.6
93.03313	8.0
95.04858	1.6
97.02825	3.8
98.02193	0.8
107.04877	1.3
108.02032	4.7
109.02822	5.9
111.04378	5.1
119.04884	9.2
121.02818	5.5
122.03588	3.0
123.00725	1.2
123.04386	18.5
124.01522	10.0
125.02336	2.0
130.04111	1.1
131.04877	4.2
133.06398	1.2
135.04367	3.3
137.02307	6.0
138.03098	5.7
139.03899	13.1
145.06453	2.9
147.04416	3.8
147.08073	2.0
152.01089	0.9
156.05687	2.0
157.06451	6.5
158.03683	1.8
159.04405	29.9
160.05043	2.3
161.05963	1.7
165.62318	0.9
171.08032	5.9
172.05275	1.4
173.05986	9.2
174.03136	1.3
174.06735	2.9
175.06021	1.4
175.07544	21.8
181.06473	1.5
184.05231	1.4
185.05989	3.0
187.04002	5.0
187.59544	0.9
188.04694	1.8
189.09142	1.5
197.06047	2.5
198.06670	1.1
199.07578	10.6
201.05510	25.6
201.09207	1.5
202.06291	11.1
203.07053	11.4
208.05318	1.9
209.06015	3.5
210.06801	4.7
212.04657	2.5
215.07005	1.6
217.05025	0.9
217.08694	8.6
226.06267	2.8
227.07098	76.3
227.16995	0.9
228.07445	4.4
243.06685	1.7
245.08171	100.0
246.08551	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	247.0974
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01234	1.4
59.13268	0.5
75.00723	0.6
81.03323	4.7
81.78197	0.3
83.02633	0.7
83.04880	100.0
83.06886	1.5
84.05212	2.1
87.11604	0.3
90.43440	0.3
92.22814	0.4
93.03315	1.9
93.23810	0.3
107.04893	5.0
109.02841	0.3
121.02824	23.2
122.03602	1.1
125.05956	63.6
125.09599	0.9
126.06310	1.6
203.07217	0.4
229.08650	14.4
230.09007	0.6
247.09760	11.4
247.11829	0.7
248.09795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1187
Annotation	oscr#9
Peak:m/z	Relative Intensity
53.49613	1.0
56.27167	0.9
58.39125	1.0
59.01244	28.0
72.99155	1.1
73.02797	1.2
82.02884	1.0
83.04877	9.9
83.25933	1.1
90.96999	1.3
97.02795	2.0
111.08012	4.9
113.09542	1.4
121.02816	3.1
121.06448	1.3
123.08058	10.7
125.05921	5.1
125.09597	1.6
131.08543	2.1
132.98065	1.5
139.11171	17.2
141.09091	20.8
165.05450	5.5
165.32069	1.2
167.10675	4.5
174.99210	1.7
175.07516	1.6
185.05907	1.6
185.11755	39.2
186.12112	1.4
186.95517	3.4
187.09686	82.9
188.10039	2.8
199.22517	1.3
211.09637	2.4
229.08611	2.6
229.10741	15.2
247.11858	100.0
248.12180	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	248.0927
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
58.86036	0.7
59.01239	5.4
70.02815	2.0
71.01224	1.0
72.04400	6.1
75.00714	2.0
82.00954	1.8
82.02837	100.0
82.04942	1.3
87.00714	1.2
91.05392	6.4
95.58864	0.9
96.91810	0.8
96.95836	1.5
98.02331	9.6
100.03896	58.9
101.02283	1.2
120.04453	1.1
123.04411	1.1
127.04962	1.2
128.03381	1.9
135.04373	4.6
137.01154	1.1
149.05943	1.3
162.05496	2.3
176.06912	1.5
176.10626	1.8
202.08670	19.8
203.08939	1.0
204.10213	11.3
233.40002	1.1
248.06670	1.5
248.09262	46.0
249.07410	1.7
249.09715	2.1
249.12190	1.3
265.20969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1243
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
52.56774	0.7
52.60120	0.5
56.65138	0.6
58.02840	6.5
59.01249	0.7
59.96078	0.6
63.14126	0.6
67.02874	2.0
72.00773	1.8
74.02327	9.2
82.02841	3.5
84.04408	8.2
85.09784	0.6
86.02331	2.5
91.04869	1.3
91.05387	12.9
97.03939	1.4
99.05493	8.9
101.07091	4.3
109.03934	16.3
115.05005	1.2
116.03413	0.8
127.01199	1.1
127.05004	77.8
128.02544	1.2
128.03400	13.4
128.05367	1.3
133.05089	8.6
145.06049	1.6
155.58936	0.7
177.02565	0.8
177.04077	3.3
186.43932	0.8
205.05504	1.6
205.13342	3.1
213.40639	0.8
229.09749	1.3
231.11354	7.9
249.12428	100.0
250.12726	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	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.4
61.28550	1.0
69.02957	1.8
69.03314	31.2
71.40820	1.0
79.95554	1.4
83.04859	2.7
87.00726	1.1
95.04870	3.9
97.06440	2.6
102.77130	1.2
104.36961	1.2
111.08015	2.0
112.59851	1.2
114.26672	1.2
119.04871	1.4
142.83308	1.4
148.54474	1.2
149.13239	3.5
153.09119	1.3
167.10646	3.3
175.11319	1.5
179.10643	1.8
184.50273	3.9
187.14845	2.9
189.03912	1.6
191.10725	1.2
193.12250	8.6
205.12279	10.2
205.14330	1.6
205.15897	12.1
221.15434	16.9
222.15907	1.3
231.13893	39.1
232.14301	1.8
248.58109	4.7
249.07980	2.5
249.14946	100.0
250.15225	5.0
258.03192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
50.92434	0.1
51.70954	0.1
56.38788	0.5
59.01249	0.3
61.65612	0.1
66.08921	0.1
69.16309	0.4
77.24124	0.1
141.66623	0.2
148.63646	0.1
149.09578	0.2
184.50369	0.2
189.12773	2.7
205.15916	60.5
205.23418	0.7
206.16245	2.9
249.14946	100.0
249.25031	0.9
250.14868	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06747	1.7
59.01239	15.2
67.01720	1.6
69.03310	34.5
72.80887	1.5
75.00748	2.1
78.58939	1.9
79.95567	1.8
82.72572	1.9
83.04852	3.4
93.03291	3.2
95.04884	4.0
97.06417	2.1
101.02264	2.4
109.98750	1.9
109.99578	2.0
111.08025	2.1
115.84457	1.9
121.06391	2.2
130.43987	1.9
138.25018	2.1
149.13339	2.6
167.10701	4.7
184.00110	2.6
184.50177	3.8
187.14813	4.3
189.03973	3.6
191.05527	3.0
193.12270	9.0
205.12245	11.9
205.15894	12.2
206.78168	2.3
221.15413	16.4
222.24278	2.5
231.13873	38.4
248.58105	7.8
249.07907	6.6
249.14941	100.0
250.15004	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	249.1495
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
50.05523	0.5
56.38787	2.1
56.39045	1.5
59.01242	5.7
66.99426	0.6
69.03330	0.8
80.02554	0.9
81.03305	0.7
83.04887	1.5
84.83674	0.7
85.02769	1.3
93.03354	0.8
96.95895	0.8
106.04103	1.7
117.32170	0.8
123.07993	0.7
134.07259	6.1
137.09584	3.5
146.07239	0.7
147.08046	3.2
148.08804	2.4
149.09602	3.1
150.10361	6.3
151.11166	4.5
152.75151	0.8
163.11192	6.8
175.11130	0.8
176.11850	0.8
177.12773	2.0
189.03973	1.4
203.14421	1.2
205.15921	98.6
206.16270	4.9
213.12784	1.2
221.15480	1.9
231.13855	18.2
249.14954	100.0
250.15288	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1855
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.46677	0.5
56.11691	0.5
59.01245	5.7
71.50393	0.4
79.95578	1.0
83.04871	0.8
87.00719	0.8
93.03319	0.8
101.02262	0.7
102.51593	0.5
177.12834	0.5
184.00177	0.9
184.50215	1.7
184.99854	1.3
187.38918	0.6
189.03883	1.0
205.12407	0.6
205.19569	2.2
223.13568	0.5
231.17497	1.4
247.16823	0.7
248.58171	2.1
249.08069	2.0
249.18591	100.0
250.14487	0.8
250.18956	5.9
261.62564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.45089	0.5
54.92733	0.6
59.01237	4.4
79.95577	0.8
84.85904	0.8
101.02303	0.9
101.29107	0.7
117.86712	0.7
127.04674	0.8
137.26550	0.8
145.52470	0.9
184.50221	0.8
189.03922	0.9
191.05556	0.9
202.34807	0.8
205.15944	1.0
205.19592	2.6
231.17482	1.5
247.16982	0.8
248.58199	0.9
249.07928	1.5
249.18587	100.0
250.14433	2.3
250.18930	4.7
253.26685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52048	0.6
57.60684	0.7
59.01228	3.1
82.28805	0.6
121.23888	0.6
142.16948	0.8
205.19543	1.6
231.17479	1.1
249.18593	100.0
250.18924	5.1
251.66034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.52398	0.6
56.62035	0.9
59.01238	11.1
59.58574	0.6
59.58920	0.6
61.98672	0.6
64.93449	0.6
71.01234	1.0
82.02890	0.9
83.04900	0.9
85.02799	3.1
87.00775	0.8
88.03889	5.5
89.02310	1.8
91.73292	1.2
93.03340	0.9
98.96436	0.7
100.03907	1.4
101.02332	0.9
119.04881	1.1
120.04417	55.8
121.02819	88.6
121.04652	1.7
121.06248	1.3
122.03123	1.8
128.03394	5.8
144.93431	0.7
146.05952	2.5
147.03172	1.1
156.11740	0.8
160.03923	3.3
160.07564	6.3
161.04443	1.2
162.09142	39.7
163.09529	1.6
165.95592	0.9
170.06013	3.4
177.25113	0.8
188.07088	9.5
190.05029	0.9
191.05548	1.9
206.08165	55.1
206.15648	0.8
207.08453	2.3
212.47368	1.0
232.06117	18.2
250.07188	100.0
250.14462	2.3
251.07518	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	250.1084
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
52.01779	0.3
54.02469	0.3
57.03313	1.3
59.01231	1.2
65.66419	0.3
66.36275	0.3
68.96810	0.4
72.04407	3.7
72.99162	0.4
80.96395	0.4
82.00861	1.5
82.02840	100.0
83.03178	1.2
84.04398	1.0
85.00719	0.3
85.02289	0.6
85.02805	11.1
86.03136	0.4
87.00749	0.4
88.03912	0.4
91.05395	4.6
91.72753	0.4
98.02351	1.0
100.01244	1.3
100.03901	93.2
101.02301	3.5
101.04233	1.3
102.05462	1.0
103.99932	0.4
120.48016	0.4
128.03413	1.3
129.01814	6.8
141.49568	0.4
188.10779	0.5
202.08675	0.8
204.10243	16.3
205.10640	0.6
217.70105	0.4
232.07416	0.7
232.09753	14.6
233.10101	0.6
250.10843	72.6
251.11137	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
55.38918	0.4
59.01233	2.9
71.01267	0.4
72.85783	0.3
73.02789	0.4
83.04910	0.5
89.02303	0.9
91.73027	0.4
97.06436	0.4
108.19498	0.4
119.89514	0.4
191.05510	0.7
222.83838	0.4
233.19136	1.8
240.82671	0.4
251.09212	1.1
251.20161	100.0
252.20511	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	255.0662
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
52.64197	0.9
56.48313	0.3
57.58910	0.4
57.73226	0.6
57.87719	0.6
58.02392	0.4
59.01224	0.5
59.59214	0.3
62.19739	0.2
63.91048	0.3
63.93514	0.4
71.01192	0.2
75.00728	1.6
78.25131	0.3
79.50861	0.3
152.91638	1.1
154.31615	0.3
159.52780	0.4
167.04889	0.6
169.06497	0.7
181.06468	1.0
182.07246	1.3
183.04535	0.4
183.08070	3.4
194.92763	1.2
195.04459	2.5
196.05243	5.7
208.05206	1.1
209.06050	7.8
209.97984	0.7
210.06807	99.1
210.14626	1.1
211.07579	100.0
211.15405	0.9
212.07951	4.9
225.24930	0.3
227.63448	0.3
237.05560	1.6
253.72203	0.3
255.06625	77.3
255.23259	1.5
256.07001	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	255.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09711	0.2
56.00309	0.2
58.99950	0.2
59.01244	7.6
71.01242	7.7
71.01636	0.4
72.99163	1.0
73.02811	0.4
74.98844	1.1
75.00732	100.0
75.02420	1.6
76.01066	0.9
85.02811	0.6
87.00742	0.2
89.02300	10.6
89.04462	0.2
94.97952	0.3
101.02304	3.7
113.02304	2.2
119.03368	1.9
121.71212	0.2
128.03499	0.2
131.03366	0.8
143.03435	0.6
149.04515	0.5
161.04501	0.7
169.06131	0.7
179.05554	2.7
255.05423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0886
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
59.01243	9.0
62.50849	0.4
71.01234	5.5
72.99173	0.8
73.02809	0.8
74.99108	1.4
75.00729	83.3
76.01073	0.7
78.95775	3.2
83.27404	0.6
85.02807	0.6
87.00730	1.1
89.02293	8.3
93.03313	0.7
96.95872	1.0
101.02312	2.1
111.04372	0.6
113.02334	1.0
119.03382	1.0
121.02834	0.8
149.02321	0.8
149.04390	0.6
152.91653	9.0
152.92862	0.7
165.05461	0.8
167.90375	1.7
177.95964	0.5
179.05522	2.3
190.93410	0.5
194.92676	11.3
196.07425	1.0
197.05923	7.5
210.06718	0.6
211.07600	3.2
211.09598	0.9
212.08234	4.0
212.93787	3.6
219.84320	0.6
240.06503	15.0
241.06781	1.1
254.86148	0.6
255.08875	100.0
255.23286	14.0
256.09213	5.4
272.05496	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	255.2329
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
50.78844	0.2
59.01242	1.6
71.01237	0.7
71.10360	0.3
75.00730	7.9
76.62491	0.3
89.02286	0.7
93.03326	0.3
150.39832	0.3
162.72725	0.3
173.04439	1.4
184.87674	0.3
202.88705	0.4
211.07614	1.0
214.39961	0.4
214.74635	0.3
219.84515	8.7
223.38329	0.4
255.23299	100.0
256.23636	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	256.0979
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
52.86848	2.2
54.41576	1.9
57.03316	2.2
59.01223	7.9
74.74171	1.9
75.00732	4.2
92.04881	3.5
93.03326	26.2
94.54630	2.3
106.04118	17.3
107.04888	20.1
108.02037	3.4
108.04387	2.2
116.67458	2.4
118.06514	20.2
119.04889	17.3
120.05196	2.4
121.02818	3.7
122.07369	2.1
130.06508	3.7
136.03882	2.5
170.09669	6.1
194.09686	7.2
195.93140	2.9
210.09143	21.4
211.09554	3.4
212.10728	39.9
213.09155	29.2
219.84486	31.1
232.22528	2.6
255.23280	23.6
256.09796	100.0
256.23544	15.6
257.08115	42.0
257.10095	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	256.1343
Annotation	Isoelaeocarpine
Peak:m/z	Relative Intensity
54.83986	0.2
56.58119	0.2
58.32013	0.2
59.01250	0.3
82.59141	0.2
90.23485	0.4
91.05407	0.4
93.03321	0.9
106.01341	0.3
106.04106	24.4
106.06493	3.4
106.07213	0.4
107.04935	2.6
108.02031	3.2
118.06482	1.0
119.04929	0.4
120.08056	8.0
121.02837	0.6
121.08373	0.4
122.52673	0.2
130.06499	5.1
131.06776	0.3
132.08101	0.4
134.06038	0.3
138.03113	1.0
146.05943	0.4
148.07570	31.8
149.07919	0.9
150.09135	4.0
210.09193	0.7
212.10728	0.9
213.09154	4.3
213.11005	0.3
219.84525	0.7
226.12352	1.4
238.12181	0.4
254.11862	7.2
255.12296	0.4
255.23311	0.6
256.02954	0.9
256.13431	100.0
257.08173	6.1
257.13721	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	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01260	0.4
65.89706	0.1
71.01246	0.5
73.02821	0.2
78.93690	0.7
78.95760	70.4
78.97569	1.3
90.33229	0.2
91.73735	0.2
96.94016	0.9
96.96819	100.0
96.99287	1.6
101.02306	0.6
107.49743	0.1
111.44238	0.1
121.92362	0.2
138.97897	5.8
144.69955	0.2
157.92389	0.2
168.98988	3.6
199.00055	3.3
223.00096	0.5
225.07227	0.2
241.01181	0.7
258.92688	0.3
259.02243	13.1
260.02631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08502	0.2
59.01241	2.0
67.01748	12.1
68.99682	0.5
71.01238	0.4
71.04878	0.2
73.93610	0.2
78.95760	0.4
81.03329	0.3
85.02803	0.4
88.91179	0.2
92.02530	0.9
93.03323	1.7
94.02848	0.6
95.01253	0.6
96.96825	0.7
106.04102	4.0
107.04936	0.3
108.02032	4.2
109.02824	1.7
113.02277	0.4
115.33974	0.2
117.03346	0.2
119.04882	1.6
120.02055	0.2
121.02820	7.2
122.03107	0.2
124.03909	1.6
127.03848	0.3
130.04117	4.1
131.04880	0.9
133.02847	0.3
137.02318	0.3
139.03928	0.3
141.06931	0.2
143.04907	5.3
143.08546	0.7
144.05627	0.4
145.02863	0.5
145.06471	9.3
146.03629	0.3
146.06824	0.2
147.04411	6.2
155.04956	0.3
156.05719	1.0
157.06470	0.9
158.03656	1.0
159.04390	0.5
159.08066	2.1
169.05046	0.4
169.06490	7.4
169.12280	0.5
170.06902	0.4
171.04419	11.6
171.08066	5.0
171.10457	0.3
172.05211	5.1
173.05986	22.0
174.06335	0.8
185.06023	1.4
186.06747	0.3
187.07565	21.4
188.07858	0.9
197.06032	1.6
200.04732	0.8
213.05397	0.3
215.07083	100.0
215.15886	0.9
216.07433	4.7
229.04927	0.2
259.06088	2.3
259.08426	0.4
259.11835	0.8
260.09186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29951	1.6
53.83905	1.6
54.23849	1.5
59.01244	25.1
71.01232	2.7
71.04862	2.0
72.00758	9.3
73.02789	2.9
78.91765	2.1
78.95758	10.1
85.02814	4.2
86.02328	54.7
92.04910	54.0
94.02850	12.5
96.96806	21.6
101.02284	5.1
116.04922	57.6
124.03936	18.2
127.03878	4.1
129.05653	3.6
142.06517	25.8
144.08051	6.4
154.06535	5.5
156.06810	5.1
162.05504	2.5
169.07626	11.8
171.09181	65.5
172.09479	3.7
198.92079	2.4
198.99156	2.3
199.06052	3.1
209.92824	2.3
215.08211	100.0
216.08536	5.1
217.00191	2.2
259.07333	18.8
260.09348	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	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72149	0.9
59.00067	0.6
59.01243	34.2
64.94196	0.6
69.03311	7.4
71.01222	3.1
75.00717	0.7
78.96222	0.6
81.03297	0.7
83.04898	3.4
85.02806	14.8
91.05399	1.6
93.03297	1.0
101.02329	1.0
107.04906	1.0
107.06968	0.7
109.06445	3.3
111.04337	1.3
111.08019	13.9
119.08556	1.0
127.07522	9.2
135.11646	1.2
137.05936	2.7
137.09595	17.9
153.09148	1.1
155.07034	64.1
156.07362	2.4
162.05507	1.8
163.07527	6.1
179.10696	10.7
181.08621	64.2
182.08923	2.4
190.05016	1.0
197.11778	15.3
199.09665	6.1
215.09796	1.3
215.12933	0.9
241.10767	9.6
259.11865	100.0
260.12131	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	259.1914
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
50.71467	0.6
54.59966	0.6
59.01228	1.1
67.99879	0.6
69.48535	0.6
72.97528	0.9
72.99166	39.6
75.00731	28.9
88.87963	0.7
101.02267	1.0
176.97960	2.3
181.79059	0.7
183.17427	2.0
198.99176	0.9
213.18581	3.9
215.53278	0.7
238.50824	0.7
259.19156	100.0
260.19476	5.1
284.98111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0412
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
55.99150	1.0
59.01239	14.9
61.51332	1.3
61.98672	1.3
66.03330	2.1
71.01240	2.1
72.00769	12.2
72.99123	1.1
73.02813	2.1
74.02320	18.4
75.00731	1.7
80.91525	2.7
83.04855	3.5
85.02780	1.9
87.00719	3.7
88.03850	1.7
94.02825	10.4
95.25755	1.3
97.30302	1.3
98.02332	1.7
99.02115	1.3
99.04372	1.9
101.02322	1.6
109.02784	1.6
112.03847	1.5
113.40120	1.4
116.04918	53.7
117.05280	2.4
124.03913	20.3
125.04234	6.6
126.90421	2.1
130.06509	10.1
135.04370	2.1
142.06505	18.4
153.05479	1.6
157.07581	1.4
159.09164	11.8
162.05397	1.4
163.06023	1.5
177.92953	1.2
186.05453	2.1
200.07101	1.7
203.08192	100.0
204.08595	3.8
217.09836	4.6
225.06432	10.1
243.06563	1.4
261.04138	48.9
261.07513	6.3
261.09970	2.0
261.13388	3.0
262.04562	1.8
270.75308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
51.81829	0.3
56.74735	0.4
59.01235	1.4
62.97095	0.4
69.03300	0.8
71.01259	0.4
71.36111	0.4
71.94115	0.4
73.02779	0.7
75.99759	0.4
83.04868	0.6
87.00735	0.5
96.17375	0.4
99.69459	0.4
139.11177	0.9
141.11562	0.4
141.12718	1.8
148.07536	0.4
153.07614	0.4
153.12738	27.9
154.13010	0.8
163.11191	4.9
169.12242	18.5
170.12572	0.7
175.05075	0.4
181.12251	10.0
182.12804	0.5
197.11783	1.7
199.13322	16.7
200.13651	0.8
215.12820	13.7
216.13112	0.5
225.11317	4.4
243.12357	15.4
244.12717	0.6
261.13440	100.0
262.11145	0.5
262.13782	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	261.1496
Annotation	3-Methoxy-14-calamenoic acid
Peak:m/z	Relative Intensity
50.88922	0.4
53.23647	0.4
59.00098	1.2
59.01244	68.8
59.02525	1.1
64.81487	0.4
70.16991	0.4
71.01244	0.5
75.44011	0.4
83.04871	0.5
95.04876	3.0
97.02822	0.6
97.06457	0.5
106.04060	0.7
107.04974	0.5
109.06434	0.8
118.59084	0.5
120.05631	1.1
136.93864	0.6
137.29016	0.5
144.86855	0.6
147.08049	2.4
161.09634	1.2
163.05881	1.0
163.11186	100.0
164.11530	3.3
178.94971	1.9
178.97699	1.2
189.12779	16.8
190.13127	0.7
217.15932	29.0
218.16234	1.2
233.32300	0.5
235.16794	0.6
243.13966	0.8
257.50992	0.6
261.12201	1.0
261.14996	18.5
261.22263	0.7
262.15341	1.5
262.18121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	0.4
54.48373	0.2
59.01241	1.7
60.06592	0.3
63.34193	0.3
65.99706	0.8
68.01278	1.9
70.02838	5.7
70.45963	0.2
77.67180	0.3
82.02843	1.3
83.04890	0.9
96.00756	0.3
99.00741	1.0
100.03916	0.3
104.27974	0.3
105.33524	0.3
106.49090	0.3
107.04891	0.6
109.02811	0.5
113.98836	1.4
114.01836	100.0
114.05309	1.1
115.02181	1.2
117.74915	0.3
119.04890	0.9
121.02758	0.3
123.04404	0.6
124.00269	4.7
125.02263	0.5
125.05943	0.3
137.02315	1.0
138.05522	0.4
147.05556	0.6
147.06624	3.0
148.03935	1.2
148.81779	0.3
150.05476	0.5
169.96802	0.3
177.05476	0.6
218.08095	0.4
219.13858	0.5
220.09853	0.5
227.07147	0.9
233.08612	0.4
245.08157	1.7
246.04152	0.4
263.06750	23.1
263.09235	1.4
264.07007	0.9
264.09360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0923
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
57.03312	3.1
59.01247	6.7
63.46119	1.1
65.03818	1.4
68.99657	2.0
69.03312	3.7
71.01246	4.0
71.61348	0.8
72.99173	4.3
73.02797	1.7
73.71643	1.0
81.03313	7.7
83.04881	56.4
85.02820	12.2
87.00281	1.0
87.00730	6.7
91.05427	0.9
93.03316	7.7
93.89802	1.0
95.01211	1.2
95.04884	6.6
97.02818	6.6
97.06436	2.0
99.00743	2.0
99.04382	3.8
106.04108	1.1
107.04884	15.3
108.02031	41.2
109.02821	40.6
111.04372	3.3
112.00262	1.6
113.02319	4.0
113.05950	3.0
115.03937	1.0
119.04897	8.5
121.02824	22.9
121.06546	0.9
122.03613	3.8
123.00751	1.2
123.04396	28.2
123.05273	1.8
124.01529	5.3
125.02318	22.3
125.05960	20.8
125.99460	7.1
127.03917	1.9
129.09048	1.3
131.04965	0.9
133.06506	2.0
134.03601	1.1
135.04399	14.3
137.02325	43.0
137.06000	2.4
138.03156	8.4
139.03905	4.4
141.05452	1.4
145.06471	2.0
147.04437	4.0
147.06699	2.1
147.08058	1.2
149.05989	4.3
153.05473	9.9
157.06471	2.3
157.08580	2.4
158.03650	1.4
159.04439	9.1
159.08041	1.4
161.02292	2.3
161.06038	4.6
162.03104	1.6
165.05478	4.1
171.08133	1.2
173.06047	6.2
175.07541	8.7
176.17165	1.1
177.05490	30.2
183.06557	4.7
183.08142	2.6
183.17725	1.1
185.06047	2.4
187.03914	3.6
189.05467	3.5
190.79633	1.1
191.07120	2.8
193.08717	1.1
199.07610	5.9
201.05571	6.1
201.07243	1.3
201.09157	5.1
202.06369	3.8
203.07074	7.1
205.05061	3.5
209.06097	2.3
217.08667	23.4
218.08983	1.2
219.06613	4.8
219.10196	2.2
219.13832	1.9
221.08157	2.0
227.07094	18.5
228.07394	1.2
235.09819	2.9
245.08179	100.0
246.08511	7.9
251.27896	1.2
263.09302	58.4
264.09494	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	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
57.03297	2.7
59.00964	2.5
59.01242	26.7
69.73453	1.9
75.52415	1.7
95.48528	2.0
96.95833	4.0
101.02283	2.6
109.99686	1.9
113.09580	11.4
119.08510	10.3
140.94235	1.9
147.07933	2.5
163.11133	5.0
165.12752	23.9
191.14322	8.1
201.16429	27.7
219.10159	3.6
219.13844	5.9
219.17378	11.7
229.51259	2.2
245.15575	5.2
263.13480	4.9
263.16516	100.0
263.28357	1.9
264.16907	6.0
269.29178	2.0
273.10913	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
52.54081	0.3
57.86448	0.8
57.86689	0.3
59.00965	0.5
59.01242	6.4
59.02381	0.2
61.98692	0.3
64.47654	0.2
71.01256	0.2
74.79591	0.3
77.37247	0.3
80.97348	0.4
85.19141	0.3
88.41142	0.3
96.09886	0.3
101.02315	0.5
113.02285	0.5
119.13754	0.3
119.22014	0.3
127.32170	0.3
130.49884	0.3
133.06465	8.8
134.06874	0.3
147.08018	0.5
164.41057	0.4
167.18698	0.3
203.05550	0.4
205.15919	100.0
205.23409	1.0
206.16235	4.6
211.22606	0.3
219.13998	0.4
219.17451	2.7
263.16519	36.4
264.16833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67873	0.7
53.22652	0.6
54.62585	0.6
54.72628	0.6
56.43144	0.6
57.38678	0.6
59.01244	22.7
63.62712	0.5
66.47015	0.7
90.16099	0.7
91.02689	0.8
95.04881	1.7
97.87512	0.7
114.30630	0.7
147.08018	0.8
148.08847	4.1
149.09579	1.7
151.11165	2.1
154.79396	0.7
163.11180	7.3
165.12747	33.2
166.13087	1.3
189.12770	3.0
191.14333	14.6
201.16504	1.0
203.14380	1.1
219.17479	14.6
227.14383	0.9
245.15465	6.3
263.16534	100.0
264.16849	4.4
278.94681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41349	0.8
51.78292	0.5
55.16902	0.6
59.00198	0.8
59.01241	43.4
59.02415	0.8
60.29695	0.5
69.03310	0.8
89.02295	1.5
96.17585	0.8
101.02303	2.4
105.02532	0.8
106.04111	1.0
107.04852	0.8
109.06390	0.8
113.02333	1.1
120.05681	0.8
134.07162	0.8
146.86572	0.9
147.08043	1.5
148.08846	4.2
149.09633	1.4
151.11169	2.2
163.11192	6.7
165.12749	34.0
166.13063	1.5
172.71703	0.8
189.12753	3.5
191.14333	13.7
203.05507	2.1
203.14287	0.9
217.15912	1.3
219.13820	1.2
219.17477	13.0
245.15454	3.9
247.51881	0.9
263.16525	100.0
264.16815	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.84066	0.3
59.01247	3.0
71.01244	0.6
93.15012	0.3
104.05370	0.4
108.37933	0.4
121.02794	0.5
203.26300	0.4
219.13869	1.0
219.21159	0.9
261.18552	0.7
263.20166	100.0
264.20535	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	264.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65990	0.5
57.97434	0.3
59.01249	1.4
60.94207	0.2
69.67207	0.2
70.83700	0.2
71.01237	0.5
71.28705	0.2
79.95591	7.7
80.96371	6.6
92.04901	0.2
94.63326	0.2
95.97463	1.7
96.95898	0.3
101.02298	0.7
109.02834	0.2
113.02321	0.2
123.04430	0.3
123.99765	0.9
125.00536	0.8
133.02789	0.2
134.03633	0.3
137.00549	0.8
137.02315	0.5
139.02116	0.2
139.99249	4.0
147.06659	5.1
148.03949	3.8
148.07068	1.2
150.05534	0.7
151.99271	0.5
153.00052	7.2
154.00862	2.6
154.03221	1.4
155.01616	1.3
155.98799	0.4
161.04498	0.4
165.00040	3.0
166.00853	0.6
167.01622	5.5
168.99574	1.8
172.34563	0.2
176.03503	0.2
182.02730	19.5
183.03511	6.1
183.97351	1.0
184.04298	100.0
185.04637	3.1
200.03813	6.9
203.60910	0.3
204.03064	0.3
233.08633	0.8
234.08899	0.4
264.00070	29.3
265.00592	1.1
274.89755	0.2
284.02371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0878
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
58.36368	0.5
59.01241	2.3
61.98700	0.6
69.38913	0.6
71.01254	0.7
72.02906	0.5
72.04404	21.9
74.02320	1.3
81.96465	0.6
82.00980	1.2
82.02840	75.2
82.04914	1.0
83.01253	2.8
83.03176	0.7
98.02337	54.1
98.05070	0.7
100.03899	18.7
105.22214	0.6
106.04094	0.6
107.04894	8.6
115.08653	0.8
117.61263	0.6
119.04894	73.6
119.08511	1.1
120.05229	2.3
126.01833	2.2
134.04581	1.2
136.07562	100.0
137.07898	3.2
140.67892	0.7
143.11789	2.3
145.02844	0.9
161.05980	11.3
192.10216	1.6
202.08672	21.7
203.07162	1.4
204.44075	1.0
205.04996	1.2
218.08205	6.7
220.09740	23.6
221.09998	1.4
229.11960	2.7
246.07707	13.2
246.10124	1.2
247.08109	1.2
264.08783	78.4
265.09268	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1194
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
53.54306	0.7
58.86369	0.7
59.00970	1.2
59.01241	18.1
63.96800	0.7
65.58723	0.6
67.02870	1.5
70.02849	0.7
71.01231	2.2
71.04848	0.8
73.02797	1.4
74.02325	1.1
82.02819	2.7
84.04398	6.8
85.02802	3.7
85.37914	0.8
87.00724	1.3
89.02312	1.0
91.73351	0.9
96.95853	1.0
98.02250	0.7
101.02271	1.5
101.07048	3.4
103.03837	1.1
107.04871	6.3
109.02810	1.4
109.03934	17.0
110.49554	0.8
113.02286	1.1
115.03873	2.6
119.04893	44.5
120.05188	1.0
125.02258	0.9
125.03443	0.9
127.05003	100.0
128.03404	54.3
128.05363	2.4
131.03407	0.7
134.04587	3.3
134.06085	0.8
136.07555	51.1
137.07895	1.3
137.45811	0.8
140.21689	1.0
145.04961	1.3
145.06070	8.0
158.50085	0.9
203.11894	0.9
205.05124	0.9
205.07094	3.2
247.10870	65.6
248.11133	2.2
265.07230	3.0
265.11938	58.4
266.12329	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	265.1195
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.87662	0.9
58.02828	3.3
59.01230	4.3
67.06264	1.1
72.00745	1.2
73.03914	2.8
74.02322	3.5
75.47430	1.1
77.23681	0.9
82.02827	3.3
83.07436	1.3
84.04411	6.2
86.02323	2.4
87.95618	1.1
96.95889	7.7
99.05493	2.7
99.51263	1.2
101.07083	8.9
107.03614	1.1
109.03934	12.9
111.81319	1.2
119.04888	8.0
127.05007	59.6
128.03419	10.8
128.05339	1.7
134.04610	11.6
136.07538	2.0
164.07094	2.0
172.38634	1.1
177.10242	1.8
185.28508	1.2
189.78040	1.3
190.08707	1.5
203.11716	1.2
208.68590	1.2
219.11516	2.0
221.09317	3.7
221.12894	4.8
247.10901	18.9
265.11942	100.0
266.12286	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	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
50.78917	0.2
56.06284	0.2
59.01171	6.8
59.01503	0.7
60.28622	0.2
68.99372	0.4
71.01187	0.4
81.03239	0.3
83.04849	0.5
96.95816	0.3
97.06396	0.4
99.07932	0.2
106.04038	0.4
107.04862	0.5
112.98421	1.4
123.07956	0.5
134.04527	1.1
148.10791	0.3
149.13188	0.8
165.12685	0.3
166.13048	0.6
167.13345	0.4
175.14821	0.3
177.16394	2.7
182.98830	0.5
201.12695	0.3
203.14322	1.9
205.12120	0.3
215.98091	0.2
219.13831	1.0
220.17778	0.2
221.06210	0.9
221.15428	100.0
222.15787	5.3
229.12511	0.4
247.13528	0.6
264.16840	1.2
265.14505	13.0
265.17239	2.4
266.14761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
53.81330	5.6
59.01244	94.0
65.68432	5.4
66.23361	5.9
67.06712	5.2
68.99419	10.6
71.01245	6.7
73.02798	19.5
85.02810	13.2
92.20681	6.4
99.04364	49.2
100.31963	6.4
101.02314	14.9
105.53324	5.3
112.98425	17.3
134.04642	28.3
182.98805	7.0
205.07005	10.3
221.15395	100.0
247.13519	7.0
265.14395	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	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
55.15384	1.1
57.03294	1.7
58.36866	1.0
58.50168	1.0
59.01241	28.6
60.25742	1.1
68.99421	2.4
71.04884	8.9
78.95753	2.6
81.03297	1.3
81.39890	1.2
83.04884	2.4
92.26740	1.4
93.21902	1.2
96.95840	3.6
98.12140	1.2
112.98428	8.4
134.04604	5.8
135.11678	2.4
149.13228	3.4
163.14812	4.9
181.12192	2.2
182.98749	2.0
189.12717	2.4
203.17957	10.4
207.13847	94.0
208.14191	4.2
214.62721	1.4
221.15340	1.8
247.17020	75.0
248.17380	4.1
265.18100	100.0
266.18466	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
53.82859	1.0
59.00969	1.7
59.01241	25.5
59.01684	1.4
60.34721	1.1
62.78177	1.0
68.99416	3.0
69.03291	1.7
71.01233	2.8
74.29448	1.3
74.70300	1.3
78.95729	1.8
85.02818	1.8
85.08501	1.3
96.95850	2.7
108.08549	1.1
112.98405	7.6
134.04582	5.6
149.09517	2.4
151.11076	2.3
162.57320	1.4
167.10672	41.5
168.10941	1.5
177.09093	1.6
195.10254	9.7
202.31886	1.5
203.18025	2.9
205.07068	3.2
214.38870	1.4
224.61572	1.3
228.09999	2.6
247.17026	12.8
265.06998	2.6
265.18094	100.0
266.18533	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	267.0723
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.20403	0.5
57.03299	0.8
58.11831	0.5
59.01241	25.9
59.02384	0.7
67.46596	0.6
70.02832	1.3
71.00879	1.0
71.01240	16.6
72.99171	4.5
73.02807	11.6
73.58094	0.7
75.00727	20.4
78.95760	2.8
83.01227	1.8
85.02806	7.3
87.00732	42.9
88.03893	17.0
89.02292	14.0
92.92632	0.8
94.55196	0.7
95.01223	0.9
96.95866	10.5
96.96837	2.3
99.00730	3.0
101.02305	10.4
105.01794	59.4
106.02106	0.9
113.02315	7.3
113.03430	3.8
114.01847	3.4
115.00195	1.2
117.01807	2.4
119.03362	4.4
120.95339	1.0
129.01825	1.8
131.04486	8.7
132.02898	2.4
133.01273	1.2
143.03342	0.8
147.02869	2.0
147.42303	0.7
150.94611	1.1
159.02875	0.9
161.04440	2.3
166.04237	0.9
168.02733	1.8
169.03011	1.4
169.98526	4.4
176.94341	1.0
177.03979	1.1
179.05515	1.6
179.26620	0.7
190.95995	0.7
192.95650	1.5
193.03455	1.1
194.95491	0.9
237.06122	3.6
248.98357	1.3
253.13367	0.7
267.07233	100.0
268.07526	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	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40374	0.3
59.00075	1.8
59.01242	100.0
59.02608	0.8
60.01575	0.7
71.01247	1.0
73.02810	1.4
75.00730	0.4
75.09779	0.2
77.73373	0.3
80.52390	0.3
85.02808	0.9
87.00731	9.5
87.01239	0.6
88.03903	2.9
89.02316	1.1
92.02420	0.7
93.03346	0.3
99.00759	0.4
100.09170	0.2
100.26284	0.3
100.65426	0.2
101.02308	1.8
105.01813	0.7
108.19849	0.3
113.02352	0.6
116.71698	0.3
117.01795	1.6
117.43939	0.3
119.03313	0.3
120.99565	0.9
126.02998	0.8
127.36874	0.3
135.01968	0.7
135.03003	13.2
137.02426	0.3
161.04453	0.8
207.08730	2.8
210.13448	0.3
249.79408	0.4
263.94577	0.3
266.89050	0.3
267.07352	6.7
267.10040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
57.61385	0.8
59.01241	4.5
59.77893	0.6
60.92005	1.1
60.92264	0.7
69.26170	0.6
73.02802	8.2
73.69610	0.7
85.02792	1.4
87.00729	11.3
89.02290	1.1
93.03306	1.2
96.95848	1.0
97.06442	1.4
105.82181	0.7
118.94692	0.7
121.02771	0.7
134.04544	0.7
136.09418	0.6
137.09615	1.7
155.10648	0.8
162.56134	0.8
205.15930	4.2
223.16995	100.0
224.17326	5.4
249.15019	2.4
267.16028	72.4
268.16409	3.3
284.82632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62059	0.5
54.05146	0.8
55.65326	0.3
56.70645	0.4
56.89564	0.8
56.89804	0.5
58.37549	0.4
63.02253	1.0
65.00171	1.2
68.99665	0.5
79.01746	4.9
81.03313	2.8
88.17292	0.5
91.01732	1.1
93.03297	0.9
95.01222	0.7
95.04865	0.5
107.01269	3.0
108.02007	0.5
109.02813	18.6
116.00449	0.4
119.01235	1.9
120.64243	0.5
121.02807	2.1
123.00761	1.2
123.04420	0.5
125.02302	1.2
135.00764	2.0
136.01550	5.4
137.02341	7.1
139.03857	0.6
147.00720	1.1
149.37094	0.5
151.00241	0.7
152.01025	0.5
153.01817	4.7
160.86835	0.4
162.05525	0.8
163.00250	1.9
164.01070	3.8
165.01762	1.4
167.03401	45.8
168.03728	1.5
175.00208	1.1
178.99669	0.6
181.01329	28.3
182.01920	1.6
192.00523	2.8
193.01335	9.4
195.02914	100.0
196.03215	3.9
199.02411	13.2
200.02667	0.6
209.00847	6.6
210.01488	0.6
213.04018	1.7
223.02429	14.9
223.99564	1.0
224.02841	0.5
230.69435	0.5
237.00380	23.2
238.00700	0.7
239.34943	0.4
241.03510	43.0
242.03722	1.1
251.01967	1.9
269.03046	37.7
270.03467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0449
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.97987	0.3
59.01256	0.4
63.01962	0.6
63.02260	5.6
63.11700	0.3
65.00188	2.9
69.39248	0.4
75.32094	0.3
82.39872	0.4
83.01242	0.7
86.59211	0.4
89.02283	1.5
93.03313	1.3
105.03309	0.4
107.01246	4.1
107.57475	0.3
116.76672	0.4
117.03323	14.0
118.03603	0.5
121.02778	0.5
128.93127	0.4
135.04399	0.8
149.02342	3.1
151.00247	3.6
155.04991	0.4
159.04431	3.9
161.02344	1.8
169.06474	0.7
171.04366	0.5
175.81104	0.4
180.05740	0.8
181.06479	1.3
182.03773	0.4
183.04402	2.0
196.05080	0.5
197.05995	1.3
201.05420	0.9
203.03491	0.5
224.04665	0.8
225.05548	2.2
227.03470	1.0
268.03806	0.4
269.04568	100.0
270.04929	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.05632	0.2
54.94733	0.2
63.02260	1.7
63.66622	0.2
64.19068	0.2
65.00185	3.7
73.71876	0.2
77.80943	0.2
81.03308	0.3
83.01236	1.7
84.69790	0.2
89.02305	0.4
90.59566	0.2
93.03316	0.4
105.03326	1.3
105.03926	0.2
107.01254	6.1
117.03326	27.2
118.03687	0.9
121.02840	1.7
122.20262	0.3
139.03906	0.3
149.02332	9.3
150.95876	0.2
151.00262	11.0
152.00552	0.3
157.06436	0.4
159.04430	2.3
169.06485	0.5
169.91907	0.2
180.05711	0.6
181.06499	1.7
183.04404	1.7
185.02419	0.4
195.04538	0.2
196.05177	0.2
197.05948	0.6
201.05513	2.0
202.00879	0.2
224.04782	0.5
225.05530	4.1
226.06012	0.3
227.03455	2.2
241.04988	0.3
269.04572	100.0
270.02002	0.3
270.04916	4.9
270.07690	0.4
279.53769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Baicalein
Peak:m/z	Relative Intensity
56.59707	0.1
59.01231	0.4
65.00172	0.2
71.01227	0.2
89.02299	1.2
93.76951	0.1
103.01757	0.3
107.01226	0.3
109.02117	0.2
109.02814	2.2
115.01766	0.3
117.03326	3.1
118.03663	0.1
119.01236	0.1
121.02812	0.4
132.02063	0.6
133.02831	0.5
139.05394	0.4
141.06995	0.7
143.04900	0.3
149.02333	0.4
151.00232	0.4
151.05423	0.4
152.91600	0.1
153.07019	0.2
155.04913	0.5
157.02840	2.0
157.06488	0.3
159.00792	1.2
159.04411	0.1
160.01561	3.1
161.02338	7.1
162.02686	0.2
167.04912	1.9
169.02751	0.2
169.06490	4.6
170.88332	0.1
171.04427	0.4
179.04944	0.5
180.05699	1.3
181.06459	0.7
182.03612	0.7
183.04404	0.8
185.02390	0.3
185.06001	1.2
186.95522	0.3
194.03754	0.1
195.04446	6.3
196.05220	3.6
197.06001	4.8
197.13068	0.2
198.03085	0.3
198.06430	0.1
199.03882	0.4
207.04456	4.1
207.13820	0.4
208.05217	1.4
210.03094	0.2
211.03949	2.0
212.04753	1.4
213.05521	8.5
214.05804	0.4
223.03963	4.8
224.04732	5.5
225.05527	16.9
226.02704	0.3
226.05867	0.6
227.03461	0.7
228.03943	0.1
239.03455	2.4
240.04260	4.8
241.05054	8.5
242.05408	0.4
251.03485	8.7
251.13470	0.2
252.04266	2.9
253.04854	0.2
267.02948	0.6
268.03799	1.5
269.04565	100.0
269.21216	0.4
270.04919	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	269.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37971	0.2
58.00444	0.2
59.01241	12.5
59.02420	0.2
61.98697	1.5
62.45637	0.2
71.01239	9.3
72.99152	0.3
73.02803	0.6
75.00723	0.9
78.95762	2.2
81.96910	0.2
83.01240	0.5
85.02805	0.9
87.00739	2.1
88.01069	0.4
88.03896	0.5
89.02296	100.0
89.04473	1.4
90.02637	1.4
91.73225	0.3
95.01260	0.3
96.96840	0.5
97.02833	0.2
101.02308	3.6
104.03394	0.6
110.32190	0.2
113.02320	2.7
113.07199	0.3
117.03339	0.7
119.03381	1.7
121.02783	0.2
125.02293	0.3
130.09709	0.2
131.03366	0.5
137.02328	0.7
139.03922	0.4
141.80153	0.2
143.03366	1.0
149.02301	0.3
149.04471	0.7
151.00325	0.2
161.04510	1.2
164.53629	0.2
179.05525	3.7
179.07007	0.4
180.06488	0.2
186.01292	0.2
269.04532	2.8
269.07025	0.3
283.06009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49417	0.4
51.86821	0.4
58.02837	1.9
59.01232	1.4
62.67099	0.6
65.05437	0.5
66.03302	0.6
84.04407	1.3
88.31112	0.5
91.72684	1.0
98.02300	0.7
99.40627	0.6
110.05979	0.6
114.02119	1.2
114.05473	100.0
115.05814	2.2
117.03344	1.6
126.09130	5.8
130.08640	0.9
151.00212	0.7
154.07350	1.3
154.08627	26.2
155.08992	0.8
166.12270	0.9
183.14926	2.4
197.06013	1.3
225.16046	12.9
227.14027	3.2
241.40475	0.6
261.35724	0.5
269.04587	6.4
269.15094	32.1
269.21072	3.3
269.25262	0.6
270.15424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03317	56.4
59.01229	5.4
59.27325	1.3
62.96263	3.7
63.02240	1.9
65.00183	2.8
69.03307	2.1
71.01200	1.6
83.01259	2.0
87.00715	2.5
89.02310	23.0
95.02045	1.5
98.58167	1.6
107.01262	3.7
117.03332	24.0
121.02850	2.8
126.45717	1.7
147.64514	1.8
149.02364	9.5
151.00237	9.4
157.73174	1.8
159.04378	2.5
162.05386	1.8
162.56960	1.7
180.06464	1.7
180.86523	1.8
181.06422	2.0
186.95500	8.5
209.19051	69.1
210.19354	4.8
225.05522	5.0
267.11566	3.8
269.04578	95.3
269.13211	10.3
269.21225	100.0
270.04953	4.1
270.21512	6.3
281.96420	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
88.03869	0.6
107.01273	0.5
117.03321	2.2
149.49413	0.5
151.00276	1.1
169.57002	0.6
192.32867	0.5
241.21667	3.6
269.04562	10.0
269.21225	100.0
270.04861	0.8
270.21597	5.9
287.54321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
59.01226	7.0
59.26381	1.8
65.00172	3.8
71.01226	3.1
75.00714	2.0
75.89856	1.9
83.01212	1.9
87.00711	2.0
89.02294	43.0
94.92365	2.6
95.36241	2.3
107.01268	6.7
108.04383	2.1
117.03317	26.3
121.02856	3.2
125.02346	2.9
149.02316	7.4
151.00224	9.1
152.91696	4.3
179.39853	2.1
186.95523	5.8
223.20636	11.8
225.05568	3.2
225.22169	3.7
267.11539	3.6
269.04550	100.0
269.13235	5.7
269.18411	4.2
269.21262	63.5
269.24472	3.3
270.04877	4.1
270.21503	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	270.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.7
66.56420	2.4
72.25348	2.3
79.78855	2.4
91.73109	6.4
94.96370	2.9
106.04099	9.2
108.02036	6.6
109.02799	6.7
117.03311	7.1
118.03671	11.1
120.08057	9.7
120.56917	2.7
146.05986	8.2
149.02350	3.3
151.00278	4.6
153.01764	3.2
166.25201	3.3
224.26489	3.1
225.05594	5.5
226.06007	3.9
226.12325	7.5
227.07127	9.6
227.16614	3.3
251.62970	3.7
269.21268	4.8
270.04932	73.6
270.11365	100.0
270.21777	3.9
271.06055	8.6
271.11661	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	270.944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.5
59.86632	0.3
61.87123	0.9
61.87415	0.7
62.15223	0.6
62.15511	0.4
67.41693	0.4
71.63992	0.3
73.03115	0.3
78.95757	0.6
79.95578	1.3
80.96377	2.6
91.46299	0.3
91.73334	0.7
92.91157	0.3
96.95908	0.4
106.97948	21.2
109.02785	0.8
120.94386	12.4
121.94442	0.5
124.34499	0.3
129.01784	0.4
134.95952	0.8
136.93884	11.5
151.92619	0.7
152.97014	2.2
160.97552	0.7
161.02350	0.5
162.95473	10.7
162.99106	1.3
163.95518	0.7
164.97032	12.2
165.97180	0.4
167.15857	0.3
177.19676	0.4
178.94968	3.7
183.89825	7.2
194.98053	1.0
201.90948	3.2
206.98146	2.5
210.92340	0.4
215.88828	0.7
226.95363	58.2
227.95490	3.7
228.84601	0.6
228.93285	42.9
229.93454	2.4
243.92038	2.3
270.83163	1.0
270.94400	100.0
271.94540	8.8
273.52100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone
Peak:m/z	Relative Intensity
52.24726	0.5
59.42096	0.2
59.55514	0.2
59.88237	0.3
61.90076	0.6
61.90377	0.4
63.00121	0.2
69.03293	1.0
84.40087	0.2
91.72771	0.3
93.03313	4.5
93.09887	0.3
106.04074	0.6
108.02024	1.0
109.02793	0.7
115.05361	0.6
115.80178	0.2
117.03314	0.3
119.04879	0.5
121.02827	3.7
130.04120	2.8
131.04869	0.8
133.02904	0.3
134.03690	0.4
135.04388	0.3
141.06970	0.4
143.04913	2.3
149.02373	1.2
156.05707	2.7
157.06485	4.6
158.03621	0.7
159.04407	3.8
169.06496	3.7
170.07182	0.3
171.04422	0.4
171.08047	2.6
172.05170	0.3
180.05693	2.7
181.06512	5.3
182.06891	0.6
183.04404	0.6
183.08081	2.7
184.05148	1.1
185.05942	1.1
196.05232	0.7
197.06024	5.0
198.06703	1.0
199.07596	5.9
208.05243	2.8
209.06021	10.1
210.06606	0.9
211.03946	0.5
212.04776	0.5
224.02647	0.5
224.04747	4.9
225.05537	15.0
226.06116	1.6
227.07100	100.0
228.07430	5.5
253.05054	16.7
254.05450	0.7
270.24182	0.3
271.06140	41.9
272.06418	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44823	0.4
56.51419	0.8
58.63012	0.4
59.01224	1.8
59.88251	0.8
61.90086	1.0
61.90357	0.6
63.63007	0.4
66.26437	0.4
68.24524	0.3
69.03301	0.7
71.01206	0.4
85.02803	0.4
87.00723	0.5
93.03314	4.6
95.01230	0.6
97.02800	0.6
100.31674	0.5
108.02032	2.2
109.02802	4.2
119.04888	0.6
121.02828	6.2
125.02300	1.8
130.04126	2.9
131.04901	0.7
133.02777	0.7
135.04391	0.8
137.02316	0.8
140.10779	0.4
143.04872	3.1
146.03671	0.5
149.02298	3.9
152.91704	0.9
153.79364	0.4
155.08545	0.6
156.05663	2.8
157.06477	5.1
158.03665	0.7
159.04408	3.0
162.75659	0.5
169.06487	5.3
170.07245	0.5
171.08047	3.8
173.05873	0.5
180.05702	4.8
181.06500	9.3
183.04364	1.0
183.08052	1.9
184.05145	0.7
185.05983	2.0
195.04454	1.2
196.05254	3.2
197.06013	8.6
198.06619	1.4
199.07588	7.5
200.08040	0.5
208.05246	6.5
209.06020	23.1
210.06491	1.3
211.03964	1.0
212.04694	1.3
223.03947	0.7
224.04752	15.5
225.05524	34.4
226.06070	2.5
227.07097	100.0
228.07419	5.9
252.04311	0.5
253.05049	44.6
254.05501	2.4
271.06122	50.2
271.15567	1.1
272.06534	2.9
272.09286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01241	1.2
62.74861	0.5
74.25957	0.7
81.22294	0.6
108.02039	1.8
109.02802	2.1
114.72785	0.5
121.76701	0.6
125.02318	3.0
139.09377	0.6
154.90919	0.6
225.22269	0.7
227.07205	0.8
229.48660	0.8
239.16518	1.9
242.89134	0.7
257.17447	1.2
271.05768	0.9
271.10443	1.2
271.22800	100.0
272.23108	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.08154	0.4
54.97218	0.4
55.01726	0.6
59.01232	0.7
61.65469	1.5
61.65810	1.0
69.03328	0.4
72.64889	0.4
83.04865	0.7
91.32112	0.4
94.92365	0.6
106.58401	0.5
108.02051	0.5
109.02814	0.6
119.71020	0.5
125.02314	1.0
180.45535	0.5
197.19066	1.3
202.42645	0.5
221.19083	1.0
223.20673	5.0
225.22195	65.5
226.22464	3.7
253.21655	1.1
258.17731	0.5
269.21320	0.5
271.22803	100.0
272.23148	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	273.0769
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
52.37548	0.6
59.01230	0.8
65.03852	0.8
66.00439	0.6
66.35258	0.6
91.73011	1.0
93.03304	2.1
102.37604	0.6
104.80189	0.6
107.04887	51.7
107.07761	0.9
108.05228	1.6
109.02805	0.9
119.51585	0.8
121.02824	22.7
122.03606	57.5
123.03945	1.3
124.01533	1.9
137.02333	2.5
151.03900	3.3
151.12260	0.7
154.02576	4.3
157.25403	0.8
183.50583	0.7
213.09010	0.8
229.08675	46.2
230.09027	1.8
255.80902	0.8
257.80618	0.9
273.07703	100.0
274.08017	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	273.0769
Annotation	Lecanorin
Peak:m/z	Relative Intensity
55.68213	0.8
59.00001	1.1
59.01240	27.3
59.79203	0.7
63.02258	1.1
64.31333	0.8
65.03791	1.1
67.01727	1.8
69.61324	1.0
79.05415	1.6
81.03312	55.3
91.73417	2.1
93.03316	9.5
95.01230	1.4
103.68923	1.1
105.03317	4.4
105.05452	1.0
106.04102	8.7
107.01234	1.7
107.04890	6.2
108.02039	2.5
109.02824	5.3
119.04968	1.1
121.02833	3.0
122.03592	8.1
123.00710	2.1
123.04382	78.7
124.04708	1.9
125.02336	1.4
137.02281	2.2
138.03050	2.8
143.04839	1.4
149.02332	25.6
150.02753	1.1
153.01772	1.5
159.08073	1.2
161.36932	0.9
163.23666	1.0
167.03366	1.7
176.53239	1.0
185.06044	6.1
187.07500	1.3
211.07549	3.9
213.09151	25.3
214.09438	1.8
227.07077	7.8
229.08658	24.7
230.08905	1.4
255.06615	100.0
256.06912	5.9
258.05365	1.7
273.07690	91.2
273.17053	1.6
274.08011	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	273.0771
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
53.60103	1.4
59.01245	9.1
61.00700	1.6
73.18378	1.7
78.71787	1.5
80.60632	1.7
91.73311	1.8
107.04884	16.8
108.01323	3.4
108.02030	47.6
109.02824	29.2
119.04884	12.3
121.02814	11.2
121.76830	1.5
122.03606	31.5
123.04402	13.6
127.20189	1.7
137.02310	2.1
163.03874	10.2
196.03709	1.8
213.09140	7.8
227.28886	2.0
229.08678	44.6
273.07681	100.0
273.17007	2.6
274.07986	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	273.0771
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
50.42962	0.8
59.01242	11.7
62.29021	0.8
71.01217	1.0
83.45931	0.9
93.03313	2.3
96.00751	0.9
105.70809	1.1
107.04887	64.2
107.07719	1.1
108.02039	2.4
108.05221	1.6
109.02815	1.6
121.02015	1.7
121.02824	23.3
122.03603	53.1
124.01547	2.1
124.03762	1.1
135.04379	1.4
136.01613	1.0
137.02307	4.8
151.03874	3.6
154.02657	7.3
213.09096	3.2
221.02538	1.0
229.08667	45.9
230.08846	1.0
273.07700	100.0
274.07977	5.0
274.10718	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	273.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58474	0.2
56.99476	0.2
58.00459	0.2
59.01242	3.5
60.99158	0.4
64.04981	0.2
65.37317	0.2
66.54933	0.2
72.97567	0.6
72.99166	36.4
73.00950	0.4
74.99072	0.5
75.00730	26.7
75.02583	0.4
82.60755	0.2
91.72630	0.2
93.03325	0.2
106.04080	0.4
107.04913	0.7
108.02023	0.3
110.70845	0.2
112.49545	0.2
116.64963	0.2
197.19061	3.0
211.20616	0.9
213.09177	2.7
227.20137	2.9
229.32404	0.3
240.73143	0.4
273.20728	100.0
274.21075	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2073
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
56.99464	0.2
56.99706	0.2
58.00467	0.5
58.91028	0.2
59.01234	2.3
59.98367	0.3
60.99158	0.4
66.54929	0.2
70.12578	0.2
72.97461	0.6
72.99166	38.1
73.00654	0.4
73.99510	0.2
74.98999	0.5
75.00731	28.2
91.80554	0.2
107.04868	0.4
108.02003	0.2
115.96181	0.2
136.24042	0.2
191.05470	0.3
191.57446	0.2
195.17485	0.2
197.19040	2.8
211.20605	0.3
213.09138	1.9
225.18663	0.3
227.20120	3.0
229.32483	0.3
231.32338	0.2
240.72929	0.4
244.69057	0.2
273.08383	0.9
273.20731	100.0
274.21082	5.1
274.24051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82664	0.5
58.14685	0.4
58.38453	1.4
58.38707	1.0
63.61516	0.4
65.03812	1.3
66.46355	0.6
79.01732	0.6
79.05376	4.1
81.03306	1.0
83.04880	4.3
93.02763	0.6
93.03323	11.7
93.03904	0.7
94.64896	0.5
95.04848	0.5
103.04346	0.5
106.04105	31.7
107.04890	50.6
108.02003	2.3
109.02824	1.1
111.04417	0.9
119.04893	2.0
121.02825	6.7
125.05950	4.3
145.06444	1.0
151.03894	31.3
157.59090	0.5
169.04959	8.0
171.08075	2.3
211.07587	1.0
212.77170	0.5
213.09163	67.9
214.09566	0.7
219.87479	0.6
223.55649	0.5
241.16539	0.6
257.08194	100.0
262.61667	0.6
275.09277	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31283	0.2
54.45840	0.2
59.01242	1.9
65.03823	2.9
67.00286	0.5
67.01750	30.8
68.02081	0.4
68.65519	0.2
71.01212	0.3
72.99148	0.3
73.02831	0.3
79.05392	1.3
81.03320	3.3
83.04875	1.7
93.03315	6.8
95.01244	0.3
95.04887	0.5
99.59070	0.3
101.02313	0.4
106.04108	10.7
107.02028	0.4
107.04892	22.0
108.02029	1.4
108.05218	0.5
108.99796	1.1
109.02814	100.0
110.00130	0.2
110.03152	2.3
111.04401	0.4
112.93582	0.6
116.92710	0.4
117.17347	0.3
119.04912	0.8
120.99371	0.3
121.02821	24.3
122.03173	0.5
125.05952	2.3
127.02106	0.3
138.03107	0.6
151.03903	14.3
152.04257	0.5
153.01801	2.3
157.03175	0.6
169.04977	3.3
171.08051	1.0
187.04245	2.5
187.07643	0.5
192.95776	0.8
210.43913	0.3
211.07607	0.4
213.09166	30.5
214.09483	1.4
231.04442	0.5
231.06604	7.2
232.06862	0.4
257.08188	43.4
258.08551	2.4
275.05734	3.1
275.09232	19.3
276.06476	0.3
276.09488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
58.38443	1.1
58.38692	0.5
64.52085	0.5
65.03817	1.1
66.46372	0.5
79.05376	4.5
81.03301	1.2
83.04884	3.1
89.86475	0.5
92.02523	0.5
93.03320	11.0
95.04871	0.6
106.04103	31.2
107.01901	0.7
107.04888	52.9
108.02041	2.9
108.05219	1.9
109.02814	0.8
111.04353	0.8
113.37170	0.4
119.04871	1.7
121.02818	7.8
125.05951	3.8
128.73541	0.5
138.03049	1.0
150.98924	0.5
151.03897	33.8
152.04210	1.7
169.04971	8.2
171.08018	1.5
175.20366	0.6
191.66476	0.5
211.07504	1.1
213.00780	0.9
213.09157	70.4
214.09496	3.6
257.08185	100.0
258.08524	8.0
275.09265	41.6
276.09662	3.9
278.13876	0.5
292.44214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.125
Annotation	N6-(L-1,3-Dicarboxypropyl)-L-lysine
Peak:m/z	Relative Intensity
56.60973	0.4
58.71069	0.4
59.01238	2.5
64.48978	0.4
67.82320	0.4
70.02835	0.9
70.09713	0.4
71.01240	5.5
71.04877	23.2
71.06397	0.5
72.00761	1.4
72.04399	7.2
74.02328	26.4
74.59467	0.4
75.02675	0.5
82.02844	3.9
83.00303	0.5
84.04404	12.3
87.00732	0.6
96.95851	0.7
99.00736	0.6
99.04377	8.5
101.02287	1.2
101.04160	4.0
101.07075	3.3
109.02813	0.5
110.02388	0.8
111.04374	0.5
113.02314	0.9
116.07054	3.3
120.01080	0.5
128.03406	79.4
128.07085	1.6
129.03802	1.1
129.05525	0.9
129.06564	1.5
134.57263	0.5
134.76872	0.5
145.03156	1.6
145.06033	16.1
146.08113	39.5
147.08443	0.9
154.99736	0.8
164.07117	1.1
189.05782	0.7
257.11411	0.8
262.61206	0.6
275.12509	100.0
276.09769	0.6
276.12784	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	275.2017
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
55.53151	1.3
59.01239	13.4
64.36605	1.2
66.40495	1.5
78.07632	1.5
81.02365	1.7
113.00637	1.4
130.56473	1.5
145.52023	1.4
177.16383	2.0
192.95764	3.1
199.16182	1.7
231.21117	8.2
255.12946	2.1
275.20181	100.0
276.20459	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	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96503	0.2
71.63702	0.2
75.18986	0.2
78.93832	0.6
78.95760	41.8
78.97425	0.6
80.22340	0.2
91.73318	0.2
96.94198	1.4
96.96820	100.0
96.99092	1.2
97.57342	0.2
97.67176	0.2
103.22534	0.2
108.51180	0.2
115.42004	0.2
121.92326	0.3
121.93138	0.2
125.92317	0.2
130.65247	0.2
170.52806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91957	0.1
56.22470	0.1
61.98695	0.3
62.96260	0.3
71.01253	0.1
75.02226	0.2
77.43023	0.2
78.93803	0.6
78.95760	44.5
78.97464	0.6
90.53660	0.2
91.35587	0.2
91.72649	0.1
96.94151	1.3
96.96820	100.0
96.99139	1.2
105.98840	0.1
164.49974	0.2
199.90680	0.2
204.59135	0.2
288.18799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Avicennone G
Peak:m/z	Relative Intensity
50.60302	0.4
52.75604	0.3
53.17169	0.5
57.03321	0.9
58.96931	0.3
59.01242	0.7
63.20882	0.6
67.35884	0.7
69.90567	0.4
74.30948	0.2
83.04874	0.4
89.03836	1.4
89.79758	0.3
103.05402	0.5
103.69434	0.2
107.41838	0.3
115.05428	0.4
117.03323	0.7
121.02811	0.5
133.06497	0.8
137.02388	0.4
141.07335	0.6
143.04948	0.3
146.08115	0.8
147.04385	0.4
152.91672	0.4
159.04576	0.3
161.02338	36.8
162.02699	1.1
172.57799	0.3
174.03101	0.4
175.03908	4.9
175.07503	0.6
176.04701	35.9
177.05063	1.3
187.03960	1.1
189.09462	0.8
191.07060	7.0
191.08351	0.3
194.92767	0.6
201.05576	1.8
202.06303	2.7
203.03452	0.6
204.04202	9.1
205.05014	4.0
209.48610	0.3
217.04971	0.4
218.05785	11.1
218.07884	0.6
219.06567	6.2
220.06926	0.3
229.04961	0.8
233.08160	4.1
236.45638	0.3
243.06606	1.0
244.07388	41.7
245.07693	1.9
256.66019	0.3
259.09760	10.6
260.07043	0.4
260.09979	0.7
262.08472	100.0
263.08829	4.5
277.10815	57.0
278.11127	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	277.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02822	1.9
59.00968	3.2
59.01243	42.7
78.95807	2.3
85.02796	3.0
90.98437	5.2
96.04418	11.6
97.06441	2.1
99.78768	2.1
101.04168	20.4
101.21964	1.9
108.04419	24.5
109.59770	2.3
110.05992	24.1
120.99577	2.9
121.02800	4.9
122.05987	11.1
124.07554	68.1
126.90403	7.8
127.05712	2.9
128.06136	3.4
136.05165	3.4
136.07567	66.5
145.03171	4.9
145.06827	8.6
146.08156	4.0
146.69244	2.3
147.11765	3.2
152.91670	5.7
162.09171	3.4
167.90393	2.9
168.06570	100.0
169.06938	2.1
180.06540	16.7
190.12321	9.3
194.92766	7.4
199.09694	3.9
204.09148	3.2
205.09779	4.2
216.10365	3.8
217.09827	6.2
229.66994	2.6
233.08421	3.0
233.12953	6.6
247.79230	2.5
277.11954	36.3
277.21701	2.2
278.14029	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
52.55416	0.1
56.73687	0.1
58.02840	3.7
59.01241	3.2
60.33109	0.1
60.87121	0.1
70.02838	12.2
70.04449	0.2
71.01236	0.7
71.04877	24.7
71.06542	0.3
72.00433	0.2
72.00764	1.2
72.05217	0.3
73.02817	0.3
73.59907	0.2
78.95752	1.4
85.02786	0.3
87.05492	8.0
87.49357	0.2
92.99593	0.2
96.95874	0.6
96.96186	0.2
96.96824	3.0
97.02742	0.1
97.03930	0.7
98.02303	0.2
98.05981	0.5
99.04374	8.3
101.02320	0.2
109.02795	0.4
114.05434	0.3
115.03835	0.2
115.05003	1.9
116.07037	4.5
121.02804	0.4
127.03856	0.5
129.05463	2.0
130.03198	10.2
131.03426	0.2
142.73836	0.2
146.03767	1.0
146.08113	100.0
146.13106	1.0
147.05859	5.0
147.08469	1.9
152.91661	0.5
169.09767	0.2
194.92644	0.9
201.77484	0.2
217.11891	24.5
218.12172	0.7
221.61644	0.2
243.13516	0.6
277.12277	41.6
278.10043	0.2
278.12616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1228
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02841	3.8
59.01240	12.8
65.48238	0.4
66.33129	0.4
68.30733	0.4
70.02841	10.9
71.01243	1.9
71.04877	22.3
72.00766	0.8
73.02795	0.8
75.00746	0.6
78.95757	7.7
85.02802	1.8
87.05494	7.6
89.02281	0.9
96.95888	3.5
96.96821	15.3
98.02355	0.9
99.04379	6.6
101.02306	0.6
115.03873	0.8
115.04994	2.5
116.07032	3.7
121.02790	1.1
127.03864	2.3
129.05435	1.8
130.03191	9.3
139.03934	0.5
146.08115	100.0
147.05858	6.1
147.08449	2.1
150.09926	0.5
152.91675	2.3
194.92746	2.9
194.95473	0.9
212.93788	0.8
217.07153	1.2
217.11899	23.3
226.60146	0.5
243.13371	1.0
277.12274	42.8
278.12668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1292
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
53.44621	0.6
56.41747	0.6
57.03300	1.3
59.01242	19.7
63.45223	0.6
69.03304	0.8
71.01207	1.8
71.04867	2.3
72.99164	0.7
73.02794	2.6
78.95760	11.7
81.03284	0.8
83.04882	5.2
85.02806	3.8
85.06459	1.2
87.00735	0.9
89.02282	2.0
89.24240	0.7
95.04887	5.1
96.95891	5.5
96.96823	22.7
97.02811	0.7
97.06431	2.6
98.02327	2.4
98.57959	0.6
99.04375	3.7
101.02290	0.9
109.02766	1.0
109.06431	1.1
111.08030	5.7
113.02309	1.0
113.05935	2.7
114.94953	0.7
115.03885	3.3
115.07513	5.8
116.07060	0.8
121.02798	2.1
126.89500	0.7
126.90325	3.5
127.03888	3.4
127.07511	1.0
129.09096	2.0
137.09624	1.1
139.03830	0.8
146.08188	1.4
151.11156	1.9
152.91637	3.1
167.10681	4.0
167.17924	0.7
169.12219	5.3
179.10626	1.4
179.48337	0.7
194.42194	0.7
194.92656	4.2
194.95424	1.5
197.11786	12.1
212.93762	1.4
213.11282	6.1
214.33238	0.9
215.12840	14.2
216.13141	0.9
217.07140	2.3
231.12349	10.9
240.14046	0.8
241.10799	1.8
259.11896	16.5
276.93716	0.7
277.12930	100.0
278.10431	1.5
278.13232	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1444
Annotation	alhpa-tocopheronolactone
Peak:m/z	Relative Intensity
51.10067	1.6
52.31344	1.6
52.97030	1.7
53.46009	1.4
56.79234	1.4
57.03322	2.0
59.01244	18.6
61.87741	1.7
71.01237	1.9
71.04884	12.6
73.02824	5.0
76.87154	1.6
81.03344	1.9
93.03373	2.1
95.04894	2.3
97.06488	7.3
99.04378	100.0
103.33601	1.8
109.06487	2.6
112.05202	7.1
113.06004	4.7
121.02853	6.1
121.10132	7.4
123.08032	18.1
123.88438	1.7
125.05962	16.4
126.55572	1.7
132.05698	2.6
133.10149	8.7
136.05183	2.4
138.06770	2.8
147.08061	2.7
149.06003	2.6
151.07549	3.1
152.91678	15.3
156.73314	1.8
161.09607	12.9
165.09192	2.6
177.09145	10.4
186.10561	2.1
187.11304	3.2
191.10765	3.2
194.92734	17.9
194.95584	7.7
212.93871	3.7
215.14363	51.2
215.16354	3.4
216.14685	3.1
233.15459	16.0
242.91872	2.2
259.13354	15.3
277.14496	50.4
277.18167	6.4
277.21786	3.3
278.14713	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	277.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29648	0.4
52.59759	0.9
52.59985	0.4
54.33483	0.4
55.74791	0.4
59.01236	1.6
66.95278	0.4
78.65903	0.4
83.04857	0.7
95.04910	0.6
96.95923	0.5
106.04091	0.4
121.02826	1.0
143.78749	0.5
146.08209	0.6
147.08018	0.6
148.08797	1.9
149.09538	0.8
150.10359	0.9
152.91664	3.7
152.94328	0.5
154.39935	0.5
162.10394	0.9
162.88956	0.6
163.11198	2.6
165.12756	26.8
166.13081	0.9
167.90417	0.7
170.92763	0.6
175.11179	0.8
177.12711	0.8
188.14767	0.5
191.14384	0.6
194.92754	3.8
194.95479	2.4
205.15950	1.0
212.93834	1.2
233.19078	21.0
252.97269	0.4
259.17059	7.9
276.93024	0.8
277.18100	100.0
278.18472	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48529	6.4
59.00978	6.7
59.01246	98.7
60.02161	5.5
71.01233	24.7
71.04871	13.3
72.02031	16.8
73.02808	23.5
73.59467	7.7
78.95756	15.7
83.34380	7.2
87.04367	92.0
96.96803	22.4
109.06440	17.5
115.03840	9.8
116.59197	7.0
121.02831	14.1
125.09524	8.9
127.03899	8.3
130.22617	9.0
139.07559	10.2
146.08118	30.8
152.91667	38.8
153.09196	11.8
162.05605	7.4
162.50652	7.4
194.92709	58.9
194.95372	35.6
205.16034	12.8
212.93785	13.6
233.19069	27.5
245.58260	8.6
259.20602	20.2
277.12115	9.8
277.18149	100.0
277.21774	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.51366	0.3
59.01231	1.1
62.70824	0.3
70.14576	0.4
71.01228	0.6
94.50160	0.3
96.09232	0.4
116.58329	0.3
119.84410	0.4
120.38332	0.3
164.42372	0.4
170.65282	0.4
187.08205	0.4
218.45271	0.4
233.22641	0.5
259.20694	0.5
265.87457	0.5
275.19901	0.6
277.21732	100.0
278.22018	5.4
278.24753	0.4
279.75372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.31776	0.3
59.01241	2.1
61.04177	0.3
71.01234	0.5
80.42798	0.4
80.77325	0.4
86.67704	0.3
91.72727	0.4
121.02842	0.8
140.32121	0.4
233.22571	0.5
251.81688	0.4
277.21735	100.0
278.22086	5.3
281.50989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.9683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70457	0.4
59.01231	1.3
82.58836	0.4
101.04174	0.8
115.03902	0.7
122.05979	0.8
122.30025	0.4
123.04392	0.6
126.90374	100.0
135.04424	0.5
146.08115	0.5
148.03882	0.6
150.05475	0.5
153.12752	0.5
162.05579	0.5
163.91487	0.4
188.28206	0.5
190.23518	0.4
215.12804	0.6
277.12912	2.2
277.96844	27.1
278.06894	0.5
278.09866	0.5
278.13248	0.7
278.97049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57921	0.3
54.32949	0.3
59.01246	3.3
60.97382	1.5
71.01270	0.4
71.04884	0.6
72.00243	5.2
72.97385	4.3
73.98175	0.8
75.00745	1.5
85.02812	0.6
86.02325	7.2
88.96874	0.4
89.97691	0.6
90.96191	1.3
90.98447	100.0
91.01001	0.7
91.98754	0.5
96.96802	0.5
98.02345	1.0
99.00699	0.4
116.01624	1.5
116.07031	1.0
124.85840	0.5
127.35339	0.6
129.07306	59.9
130.07639	1.4
145.06778	2.3
146.08121	1.9
147.03772	0.6
147.08377	44.3
148.08719	1.4
152.56921	0.4
162.05495	0.9
173.06316	18.9
174.06630	0.9
178.01703	4.5
185.13240	0.5
191.07396	37.1
192.07715	0.7
216.10582	6.1
219.05000	0.6
225.44710	0.5
234.11617	1.0
260.09616	2.8
278.10547	8.5
283.68381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1601
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
58.48761	1.1
58.99944	1.3
59.01241	100.0
59.02391	1.9
59.33546	1.1
75.00729	2.4
80.96365	2.3
112.77191	1.4
126.93497	1.2
138.66055	1.3
159.74617	1.3
163.11185	13.7
168.22279	1.5
219.04980	1.8
279.16003	26.2
279.23407	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	279.1602
Annotation	Papuanone
Peak:m/z	Relative Intensity
51.16071	0.5
51.61086	0.4
52.83827	0.4
57.03318	1.4
58.99937	1.3
59.01242	100.0
59.02393	1.6
60.01584	0.6
60.99184	0.6
63.59064	0.8
64.20197	0.5
65.03819	2.9
65.74426	0.5
66.23730	0.4
71.04883	2.5
83.04889	1.1
85.02783	0.8
89.71784	0.5
95.04889	1.6
96.95866	1.0
97.06447	8.5
109.06445	1.0
113.09510	0.5
121.06458	3.9
137.09528	0.5
139.07520	1.0
157.08633	3.4
163.09840	0.9
163.11185	13.1
163.16333	0.7
165.12798	1.0
175.11172	0.9
181.08658	2.0
183.10234	1.3
194.74586	0.6
202.20338	0.9
207.10210	4.5
217.16075	2.8
219.13860	0.9
235.16942	1.1
261.15030	1.5
279.12842	1.6
279.16000	27.4
279.23209	1.2
280.16516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	5.2
59.01242	18.3
60.58738	1.5
67.05422	1.4
71.01212	2.1
71.04877	19.9
73.02811	4.2
76.61868	1.4
77.99411	1.4
79.99922	1.5
83.04875	2.4
83.77624	1.6
85.02817	2.8
86.03595	2.6
87.04369	7.8
91.22728	1.5
91.72685	1.9
95.04874	1.9
95.59063	1.4
96.95870	6.4
97.06440	5.8
99.04371	42.8
101.05952	17.5
106.04073	1.6
107.08533	1.5
109.06461	4.4
110.13233	1.5
112.01552	1.9
112.05172	3.7
113.05995	1.8
121.10126	2.0
123.08034	17.9
127.07532	3.8
133.10132	2.7
133.15884	1.6
135.08008	1.7
138.06761	5.0
139.57880	1.6
141.09065	2.6
149.09583	5.2
149.13292	3.0
153.09093	3.9
162.89456	1.7
162.90903	1.9
163.11176	5.7
167.10651	6.9
175.11098	3.0
177.09116	2.5
177.12749	3.5
179.10657	8.2
192.34554	1.5
193.12256	33.0
205.12219	2.5
217.15932	34.6
218.16290	1.9
223.13449	8.2
235.16974	9.3
243.13869	2.9
251.16539	2.1
261.14969	62.5
262.15002	1.8
279.12979	3.6
279.16022	100.0
280.16354	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	280.0826
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
51.20133	0.4
52.16419	0.4
53.09940	0.9
59.01245	2.6
61.98668	0.5
63.81966	0.4
71.01238	1.6
72.99167	0.6
73.02776	0.8
74.12024	0.4
78.95748	0.7
82.02833	2.0
85.02773	0.6
88.85021	0.5
89.02286	1.1
91.71237	0.6
93.03352	0.5
95.04864	1.2
100.03870	1.0
101.02305	3.2
103.91888	0.6
110.02342	1.4
111.01878	1.1
112.91983	0.5
113.84558	0.6
116.07103	0.6
122.03596	9.9
122.89265	1.8
123.04391	29.0
124.04692	0.8
130.08572	2.6
135.04395	6.5
137.02321	1.1
147.03221	0.8
147.04399	13.0
148.04076	0.9
148.05159	4.6
149.04691	1.8
152.07048	0.7
154.02544	0.7
159.04395	10.9
161.05971	12.1
162.05508	0.7
162.06750	3.7
163.07544	14.0
173.05981	1.0
175.04022	1.0
175.07555	34.9
176.07904	2.2
177.05470	0.7
190.08667	38.1
191.09338	4.0
192.10226	100.0
193.10579	4.2
200.05464	0.7
200.07141	0.8
206.08238	1.2
218.08177	5.6
233.26930	0.6
236.09264	33.7
237.09523	0.9
240.67889	0.5
243.06216	2.2
244.06570	0.9
248.24760	0.6
280.04425	1.0
280.08252	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0878
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
57.03318	4.9
58.00456	0.4
59.00159	0.6
59.01243	38.8
59.02441	0.7
61.98693	1.3
63.83472	0.4
71.01240	33.0
71.02812	0.5
72.01586	0.6
72.99150	2.3
73.02802	4.4
75.00728	2.6
83.01257	1.3
84.63058	0.5
85.02806	3.6
87.00723	2.1
89.02299	48.5
89.04527	0.9
90.02646	0.5
95.01228	0.6
99.00728	0.6
101.02305	100.0
101.04984	1.3
102.01871	0.4
102.02654	1.5
103.17349	0.4
107.03510	0.7
108.01867	1.0
112.59282	0.5
113.02308	8.5
115.62155	0.5
119.03362	6.4
126.02972	1.6
130.08627	2.1
131.03383	1.6
131.08929	0.8
133.01463	4.9
143.03360	2.7
149.04466	1.3
150.04099	14.7
153.14703	0.6
161.04477	4.5
179.05534	8.8
282.08578	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	281.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.3
69.22633	1.8
101.02275	2.3
106.04115	35.1
108.02042	3.6
113.76459	1.7
130.06389	1.8
132.08073	39.2
157.05238	2.2
157.07632	1.8
158.06007	20.3
159.06418	2.3
175.08621	2.3
176.07144	2.3
238.12354	100.0
239.12679	5.3
264.10306	4.3
281.24939	3.0
295.28937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58854	0.3
51.40687	0.4
53.65776	0.4
57.03322	3.4
59.01242	17.8
59.91515	0.9
67.98553	1.0
67.98884	0.8
69.03292	1.6
71.04874	3.5
72.99176	0.4
80.02512	1.5
81.03316	2.3
83.04871	2.1
84.02012	1.6
85.02810	0.9
95.01257	0.8
95.04884	5.4
96.01985	1.2
97.02805	4.4
97.05853	0.8
97.06448	12.2
98.03585	1.1
99.04343	0.7
99.07998	0.7
107.04874	0.5
109.06435	1.3
110.03597	0.5
111.00730	0.4
113.05936	2.2
113.09591	4.3
116.97098	1.1
123.04398	0.5
123.07991	1.8
125.09555	1.5
127.07550	0.6
127.11164	0.6
133.06450	2.0
135.08029	9.9
137.09583	1.8
139.11166	1.3
147.08066	0.8
148.08716	0.5
149.09612	1.6
151.11165	8.8
153.09105	4.7
154.09779	1.4
154.62866	0.6
161.04553	0.8
163.11137	1.5
165.09126	7.7
165.11375	0.9
165.12755	13.1
166.09883	1.3
169.12173	1.1
176.08395	0.9
177.09195	0.6
177.12770	2.3
181.08606	4.8
183.10168	1.6
189.12747	1.0
191.14381	2.9
195.10170	3.2
201.16425	1.0
219.17500	47.8
220.17815	1.6
223.13297	0.9
227.14305	0.7
237.18550	0.8
245.15437	2.5
263.16531	100.0
264.16882	4.6
281.17584	64.4
282.17926	3.2
293.09952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98028	4.9
57.03310	8.5
57.29461	4.8
57.64928	4.8
59.01241	100.0
71.04878	13.5
88.03876	7.7
89.89059	5.3
100.22144	5.6
108.25944	6.2
108.35651	6.9
111.08028	20.0
113.05943	16.8
116.16190	5.9
116.97118	10.0
137.39186	8.6
149.87422	5.9
169.08601	31.8
181.12257	14.5
193.12270	7.5
195.13718	7.2
197.11855	10.4
199.74977	6.8
221.06676	7.3
223.13425	28.2
224.44385	5.5
237.14844	8.3
237.18648	7.8
263.16568	43.7
281.17551	85.6
281.24945	19.1
283.38553	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	281.1758
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
56.68053	0.9
57.03305	2.8
59.01245	16.1
67.05361	0.9
69.03301	3.9
71.04877	23.0
82.52212	1.0
83.04871	2.2
87.04362	5.3
95.04868	1.5
97.06438	11.4
101.06004	1.6
106.40851	1.0
107.08523	3.9
107.28833	1.2
107.40666	1.0
110.52528	0.9
116.18687	1.2
123.08002	2.4
147.11685	2.2
149.13277	3.5
161.13289	11.1
165.22241	1.1
167.10698	6.0
167.30693	1.4
173.13231	1.7
177.12683	1.4
179.10704	2.9
179.14360	6.7
191.10756	2.5
193.12259	28.8
194.12598	1.9
195.13840	17.6
201.16399	12.9
202.14005	1.2
205.01547	1.2
205.12285	20.8
219.17484	3.6
223.13359	100.0
224.13705	4.8
224.82686	1.2
245.15472	8.8
246.63011	1.2
263.16531	40.6
263.19312	2.2
281.17587	65.5
282.17920	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.68974	0.6
54.93892	0.5
56.49796	0.5
57.03296	1.6
59.01242	30.9
61.98666	0.6
67.98579	0.8
69.03290	1.0
71.01225	2.1
83.04868	1.9
85.02804	1.2
88.89621	0.7
89.02272	1.3
93.03307	0.9
95.04879	2.0
97.02833	0.9
97.06438	2.9
98.03590	1.2
101.02300	3.7
109.06475	0.9
111.08002	2.6
113.02286	2.1
113.09607	5.1
115.07522	1.4
116.06633	0.7
116.97101	1.5
125.05899	1.5
126.06734	1.5
127.07474	0.9
127.11137	0.7
130.79408	0.7
135.08063	0.8
137.09560	6.6
139.07538	3.1
139.11169	3.2
141.09084	9.5
143.10667	0.9
151.11169	1.6
153.09111	4.4
154.09837	1.1
155.10686	3.2
161.04460	1.2
165.09088	2.3
165.12747	16.4
167.10696	3.5
170.44873	0.8
180.55574	0.7
183.10178	2.4
191.14311	2.1
193.12285	1.0
201.11359	0.7
209.19022	1.2
211.09541	0.9
212.10475	4.4
213.11247	1.1
217.15866	1.3
219.17506	16.0
221.06674	3.3
221.08505	0.8
237.18565	6.4
245.15363	2.0
253.18060	2.3
263.16537	40.8
264.16833	1.9
281.17587	100.0
282.18008	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.34133	1.2
57.03315	9.3
59.01244	28.2
60.11024	1.5
69.03309	3.3
71.04885	6.6
72.99166	37.8
75.00733	25.0
83.04877	3.3
95.04887	18.8
97.06446	58.4
98.21282	1.7
101.02293	1.6
106.04125	2.2
107.04885	12.6
109.06458	2.5
111.08044	2.2
113.09601	8.1
116.97092	2.0
121.10107	16.6
132.08101	3.9
133.66263	1.8
137.09595	2.0
139.07512	4.7
143.07030	1.8
147.08049	6.0
148.08849	2.8
157.08569	15.2
165.12677	3.5
169.08623	4.3
177.12823	2.0
179.14333	3.2
181.08598	2.8
201.16359	3.1
205.12360	6.3
209.11821	5.5
219.17499	24.4
221.06709	2.1
223.13353	81.5
224.13490	2.7
238.12283	8.6
245.15382	2.3
263.16534	100.0
264.16907	5.7
281.04965	3.1
281.13986	78.4
281.17609	69.4
281.20706	2.8
281.25024	4.2
282.14374	7.6
282.17825	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.17157	0.5
53.80839	0.2
55.87727	0.2
59.01239	0.6
59.98386	0.2
66.00829	0.8
71.01238	0.4
74.02340	0.4
78.00829	0.3
80.43373	0.3
82.03941	1.3
85.02793	0.3
88.03899	4.8
89.02298	0.6
92.92474	0.3
101.02310	0.9
101.43075	0.3
101.91872	0.3
102.02673	0.5
103.03880	0.3
107.03500	3.9
108.01901	5.6
109.02761	0.3
112.14717	0.3
112.74257	0.3
126.02014	0.4
126.02960	8.4
130.08623	1.8
133.01436	29.6
134.01744	0.3
136.01505	0.5
137.02333	0.8
143.74680	0.2
149.99487	1.2
150.04099	100.0
150.09354	0.8
150.90588	0.3
151.02524	5.5
151.04503	1.6
159.28256	0.3
166.05002	0.5
178.02615	0.4
229.39301	0.3
242.72797	0.3
282.08450	27.7
283.08755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34696	0.1
56.79941	0.1
59.00067	1.9
59.01240	100.0
59.02575	1.0
60.01579	0.7
66.84775	0.1
71.01243	0.4
73.02789	0.1
73.81754	0.1
89.02289	0.2
101.02305	0.4
113.02319	0.1
121.02898	0.1
139.75322	0.1
161.09599	0.5
163.05986	0.2
179.10704	0.2
201.02544	0.7
205.12364	0.2
223.08267	0.3
223.13403	0.8
237.79080	0.1
255.02995	3.2
277.26511	0.2
283.02478	1.1
283.05646	0.2
283.15485	0.3
283.26422	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	283.1551
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.80022	0.3
51.27910	0.3
55.01746	1.4
57.03317	4.5
59.00969	0.7
59.01241	8.1
65.49928	0.4
71.01236	0.6
73.01163	1.6
73.02801	100.0
73.04642	0.7
74.03146	0.8
76.62156	0.5
78.95773	0.6
83.04884	1.2
84.17546	0.4
85.02776	0.7
97.06456	2.0
97.39748	0.4
101.02306	1.6
137.70093	0.5
143.92944	0.4
147.11676	0.7
160.36674	0.4
165.12741	12.3
170.88304	0.5
181.12163	2.1
191.10706	1.6
200.94400	1.0
201.02473	5.8
202.02687	0.6
209.11771	32.9
210.12109	1.4
220.07874	0.5
221.15434	9.6
222.15916	0.5
223.08231	0.9
239.16496	16.8
240.16774	0.8
246.45148	0.5
255.03032	0.4
263.63293	0.4
265.14465	1.0
283.15518	74.1
283.26447	19.3
284.15842	4.2
284.26791	0.6
301.49313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.05901	0.8
50.58286	0.9
52.71928	1.0
59.01244	7.4
62.79765	0.9
76.47693	1.0
91.72727	1.3
107.01930	1.4
107.04888	100.0
108.05186	1.4
150.19527	1.0
163.11188	95.1
164.11484	3.0
201.02504	4.7
212.89143	1.1
283.17035	85.7
283.22949	4.8
283.26404	56.0
284.17368	4.7
284.26794	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	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88712	0.6
51.22617	1.0
58.00459	10.0
59.01244	20.7
71.01218	1.2
71.97868	0.7
73.02795	2.9
92.91774	0.7
99.08014	0.9
109.06440	3.1
122.15151	0.7
127.07521	7.8
129.96101	0.7
136.68005	0.7
155.10674	34.7
156.10931	1.0
167.10657	6.5
183.10104	0.9
185.11745	6.6
195.10229	2.6
200.76509	0.9
200.94440	1.4
201.02512	15.6
202.02760	0.8
213.11272	8.6
223.08061	1.0
247.17084	2.5
265.18063	9.9
283.19180	100.0
283.26389	47.3
284.12769	1.7
284.16754	1.0
284.19431	6.2
284.26886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Koninginin C
Peak:m/z	Relative Intensity
54.36686	0.4
57.03308	0.6
59.00965	0.8
59.01244	9.3
62.16213	0.4
66.06989	0.4
69.03320	0.5
71.01236	0.6
71.04878	6.3
83.04873	1.2
84.02026	1.0
94.00585	0.4
95.04885	1.0
97.06459	5.3
99.08025	3.6
111.07981	0.9
123.10607	0.4
125.05949	0.5
125.09573	0.8
127.11174	2.6
129.09077	1.3
137.09604	1.9
139.11154	1.4
143.07018	2.8
152.91609	0.9
153.09091	2.3
155.10689	1.6
159.01430	0.7
171.13828	0.6
181.08627	1.2
199.09703	0.6
200.94450	0.7
201.02498	6.7
223.08153	0.7
263.16525	1.0
265.18060	3.0
268.52576	0.5
270.86243	0.5
283.10150	3.4
283.19177	100.0
283.26355	26.4
284.19547	6.8
284.26810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1252
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
54.21406	0.5
55.82585	1.1
58.02832	1.7
58.83487	0.7
59.01233	0.9
61.98702	0.5
66.03347	0.7
67.68521	0.4
72.00762	0.9
73.02805	0.7
74.02319	1.3
74.71342	0.4
78.95758	4.3
81.65956	0.5
82.02837	2.4
83.06002	10.4
84.04393	2.9
85.03928	1.3
87.61411	0.6
96.04401	0.6
96.96820	6.8
101.07068	2.5
104.03411	4.7
105.01804	1.1
108.01891	0.9
109.02803	0.8
109.03904	3.2
109.62503	0.5
110.00319	0.5
110.02309	1.6
111.00707	0.5
111.05501	2.0
113.04010	1.0
113.07069	64.5
114.05462	2.4
114.07423	1.0
115.00237	0.8
117.01846	0.6
121.02799	0.6
121.98795	0.5
122.03609	1.0
123.04372	1.9
126.01830	2.3
127.05003	20.5
128.03415	4.9
133.01262	0.5
135.04384	0.6
135.18681	0.6
136.03822	0.7
137.02333	1.0
137.03368	0.7
138.05470	1.5
139.08662	4.4
145.06058	8.0
148.03978	0.8
149.04689	1.6
150.05501	5.8
151.02512	5.9
151.03682	0.9
152.02974	4.2
152.08150	1.5
153.02945	0.5
153.10207	2.4
154.10545	0.5
155.08142	1.6
155.11772	0.7
156.06575	2.2
163.03911	0.6
176.03438	1.7
178.09758	1.7
180.11336	95.6
181.10020	2.8
181.11569	3.2
192.06494	0.6
197.04451	0.7
198.12410	82.3
199.12660	2.8
204.06599	3.9
206.04544	10.0
206.09256	2.9
220.06175	0.6
222.12448	1.1
223.10803	0.6
224.10370	16.8
240.13474	3.5
242.11440	6.8
248.05591	1.3
266.07025	9.1
266.11456	49.6
267.09845	2.0
267.11859	2.0
283.26456	3.7
284.07434	3.7
284.12534	100.0
284.26416	3.1
285.07538	1.5
285.13043	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	284.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29344	0.3
54.77425	0.3
59.01245	1.8
65.07671	0.3
69.61091	0.3
71.71654	0.3
80.87023	0.3
106.04104	6.6
106.06473	0.5
108.02000	1.1
132.08080	1.5
134.09636	11.2
138.03075	0.5
139.00119	0.3
160.07568	1.2
238.12311	5.0
240.13896	5.9
241.14253	0.4
283.26389	2.6
284.12939	100.0
284.26672	2.8
285.04102	0.7
285.13290	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	284.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22454	0.9
55.65519	0.8
58.34462	0.9
59.01241	29.4
61.04546	1.6
61.04803	1.0
67.63398	0.8
68.07127	0.8
70.99657	1.2
71.01240	57.8
73.02816	1.6
106.04108	42.9
106.06492	7.2
108.02032	5.8
133.02835	1.8
138.03116	4.0
147.95750	1.1
152.91631	1.0
202.02594	1.0
211.13336	1.5
212.10760	86.2
213.11098	3.3
224.10776	13.2
225.11282	1.2
266.11957	2.3
283.26480	11.7
283.96643	1.2
284.12943	100.0
284.26703	8.5
285.04120	6.0
285.13217	5.4
285.17047	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	285.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16267	0.5
54.27901	1.4
54.28120	0.5
57.97227	0.4
58.68719	0.7
59.01228	2.0
59.13778	0.5
63.02243	2.0
63.10817	0.7
64.85035	0.5
65.00185	8.0
65.03824	0.6
68.99693	0.8
75.00737	0.8
79.01733	4.2
79.02083	0.4
81.03303	1.3
82.00477	0.5
83.09615	0.5
87.26042	0.5
89.00173	1.2
91.01747	1.3
92.99664	4.7
93.03293	2.9
94.00474	2.8
95.01242	12.2
97.02792	1.2
97.73887	0.6
106.00457	4.8
107.01234	2.6
108.02019	2.6
109.02813	3.3
111.00752	1.3
114.05522	0.8
118.54982	0.6
119.01261	0.8
119.04903	9.3
120.99519	12.4
121.02802	0.6
123.00756	5.4
124.01536	2.9
125.02325	5.7
133.22354	0.5
135.00760	1.7
136.01530	2.2
137.02315	2.5
139.00266	0.6
141.01891	0.6
146.30232	0.6
147.00777	1.2
149.99454	1.0
151.00238	4.3
153.01833	1.3
154.84428	0.6
155.03404	0.7
163.00246	1.2
163.03923	0.9
165.01837	3.6
166.99765	1.7
167.03372	1.6
169.01436	0.8
170.02188	0.5
172.43402	0.6
177.98993	0.7
178.99767	3.3
180.00555	74.4
181.01094	3.1
183.02896	4.1
195.02922	1.4
198.01639	1.1
199.02454	0.9
206.99309	1.2
208.00081	53.3
209.00552	2.5
211.02423	18.3
213.12389	1.1
239.01953	37.7
240.02251	0.8
257.03049	2.0
267.01477	100.0
268.01913	3.9
284.26825	1.5
285.02478	14.2
285.05264	1.0
285.27176	0.7
286.02795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.04
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.35403	0.3
59.01245	2.2
63.02252	1.4
65.00183	2.7
71.01221	0.3
77.04778	0.3
83.01234	1.8
83.04874	3.7
105.03318	1.0
107.01254	5.4
109.02811	1.1
115.02455	0.3
121.02830	2.6
125.05939	3.5
132.02037	0.9
133.02831	28.8
134.03159	0.9
147.04460	0.5
149.02333	3.9
150.99112	0.6
151.00264	8.1
155.08240	0.3
167.10533	0.3
171.04385	0.8
175.03920	4.7
185.05956	1.0
187.03860	0.5
189.05508	0.5
197.06050	0.7
198.03101	1.0
199.03920	3.8
201.01807	1.8
213.05457	0.8
215.03548	0.8
217.05003	2.3
223.03896	0.5
226.02837	0.4
229.05061	0.6
229.08675	0.9
239.03517	0.7
241.05026	1.3
242.02382	0.4
243.02899	0.7
247.09746	3.6
257.04456	1.0
267.03119	0.8
284.26825	0.8
285.04059	100.0
286.04388	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	285.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.0
60.01567	0.9
61.01647	0.7
63.02251	1.6
65.00175	2.9
70.29885	0.3
83.01225	0.9
105.03324	1.0
107.01252	4.3
109.02819	0.6
120.47661	0.4
121.02828	0.9
122.19154	0.4
133.02832	26.0
134.03204	0.8
149.02332	3.4
150.92868	0.5
151.00256	7.4
169.06421	0.5
171.04472	0.8
175.03925	5.2
185.06004	0.7
197.06039	0.7
198.03223	0.7
199.03880	3.3
201.01865	1.3
211.03931	0.6
213.05537	1.0
215.03516	0.8
217.05022	2.3
229.04971	0.6
241.05005	1.1
243.02934	0.9
257.04538	0.8
267.02927	0.6
284.26538	0.5
285.04059	100.0
285.16351	1.0
286.04410	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	285.0397
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.65483	0.3
51.25676	0.3
59.01236	2.8
63.47414	0.4
65.00182	1.4
65.16602	0.4
67.01741	1.5
68.99674	0.8
71.01238	0.5
73.12511	0.4
93.03329	1.1
95.01240	2.4
101.81657	0.4
105.01805	1.0
111.00760	1.2
117.03333	6.0
119.04897	2.0
123.00778	0.8
133.02858	1.0
135.73938	0.5
136.55145	0.5
136.98679	1.5
137.02328	1.8
139.00229	2.3
141.21428	0.4
143.04913	2.5
145.02831	3.4
157.06462	0.9
157.07628	1.3
159.04459	0.7
163.00307	0.9
165.01865	1.5
166.99767	1.2
167.04907	0.8
169.06508	1.9
171.04404	3.5
185.05986	3.3
187.03915	6.9
189.05457	0.8
190.99718	0.8
192.00598	1.4
197.06053	1.4
199.03964	0.7
201.05579	0.6
211.03918	1.7
213.05518	9.5
214.05759	0.5
215.03448	2.5
217.04987	1.0
229.04991	2.6
239.03487	2.5
240.04262	1.6
241.05022	4.1
255.03058	0.5
257.04633	2.4
267.02951	0.7
284.26730	0.9
285.04056	100.0
285.27289	0.5
286.04367	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.95736	0.1
55.31544	0.1
59.01237	0.5
63.01968	0.1
63.02262	1.1
65.00184	3.3
65.85095	0.1
65.85467	0.1
65.95190	0.1
69.18905	0.1
77.03823	0.2
79.01747	0.1
81.03325	0.2
83.00780	0.2
83.01243	1.7
89.03838	0.1
91.27149	0.1
93.03319	0.2
95.04885	0.1
105.01775	0.1
105.03320	1.0
106.98475	0.1
107.01244	5.3
108.01581	0.2
109.02814	0.1
115.01704	0.2
120.78438	0.2
121.02824	1.1
125.02309	0.1
125.17739	0.1
130.33965	0.1
132.02045	0.9
132.99094	0.3
133.02824	32.7
133.07111	0.3
134.03152	1.0
135.01791	0.1
135.04364	0.1
141.06960	0.1
143.04881	0.4
145.02826	0.1
145.06459	0.2
146.03706	0.1
147.04414	0.3
148.01529	0.1
149.02327	4.0
150.02637	0.1
151.00255	9.2
151.99420	0.1
152.00609	0.4
152.91708	0.1
155.04936	0.2
157.02844	0.1
157.06479	0.1
158.03534	0.1
161.05946	0.1
163.03886	0.2
167.04880	0.1
169.01326	0.3
169.06543	0.3
171.04420	0.7
173.02353	0.2
173.06015	0.2
174.03142	0.2
175.03917	5.4
176.04283	0.2
177.01797	0.2
182.19307	0.1
183.04407	0.1
185.06009	0.6
187.03961	0.1
189.05450	0.3
196.05244	0.1
197.06023	0.6
198.03160	0.8
199.03940	4.3
201.01852	2.0
202.02361	0.1
211.03978	0.3
212.04730	0.2
213.05521	0.9
214.02707	0.1
215.03442	0.7
217.05005	2.7
218.05373	0.2
223.03960	0.4
226.02641	0.1
229.05130	0.4
230.26505	0.1
239.03407	0.4
240.04276	0.3
241.05019	1.7
242.02229	0.2
242.05374	0.2
243.02962	0.9
257.04688	0.6
257.06937	0.1
267.02948	0.7
284.03201	0.1
284.26996	0.2
285.04053	100.0
285.17468	0.8
286.04395	6.1
286.07697	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	285.0397
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.25371	0.2
59.01236	0.4
63.02248	1.1
65.00182	2.7
69.90825	0.3
71.18526	0.2
83.01239	1.7
94.16772	0.3
100.36333	0.3
105.03303	0.9
107.01248	4.8
120.78471	0.4
121.01965	0.3
121.02804	1.1
132.02045	0.5
133.02827	30.7
134.03160	0.8
139.03871	0.3
147.04410	0.5
149.02313	4.0
151.00253	9.2
151.36955	0.3
155.00929	0.3
171.04414	0.4
175.03915	5.7
185.06010	0.5
187.03951	0.4
197.06006	0.8
198.03151	1.3
199.03928	4.8
201.01857	1.8
209.27180	0.3
211.04036	0.3
213.05447	0.8
215.03479	0.9
217.05058	2.1
223.04010	0.6
239.03331	0.4
241.05040	1.5
243.02977	0.9
257.04324	0.4
267.02960	0.4
284.92038	1.0
285.04059	100.0
286.04404	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	285.1861
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
57.03315	2.5
59.01229	1.5
62.22717	0.3
69.03298	1.7
79.05341	0.4
81.03320	0.7
83.04852	0.7
93.06950	1.7
95.01268	0.6
96.02014	2.0
97.02213	0.7
97.02808	9.1
102.91553	0.4
105.01823	0.7
107.08419	0.5
108.02036	11.6
109.02837	6.1
111.00746	1.2
111.04366	1.0
117.82717	0.5
121.02811	2.4
121.10081	1.9
122.03607	26.6
123.04433	2.7
128.01030	0.5
133.10089	1.1
135.04385	3.4
136.05144	0.8
147.04349	0.8
148.05161	1.1
149.05957	1.1
163.07506	0.6
175.07524	0.8
177.09254	0.7
189.09125	0.9
198.55406	0.4
201.09157	1.0
215.10747	0.6
216.11330	0.4
225.16470	0.5
227.14426	1.2
241.12462	0.5
241.19595	10.1
243.17632	0.8
267.17627	1.3
283.16995	0.8
284.26782	1.0
285.04111	1.5
285.18610	100.0
286.18967	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56038	0.3
53.76038	0.3
54.58492	0.3
56.99741	0.4
58.00450	0.4
59.01241	3.9
60.99170	0.4
61.98697	0.4
72.99165	37.3
73.00791	0.6
73.02822	1.9
75.00729	28.8
78.17889	0.4
78.95732	0.5
110.20285	0.4
203.02397	0.7
209.19038	0.6
223.20523	0.7
239.20081	0.7
246.40161	0.4
260.20764	0.4
284.26724	0.5
285.04108	1.8
285.20721	100.0
285.33224	1.0
286.21097	6.0
298.96234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
58.00475	0.5
59.01241	1.5
60.65545	0.2
60.99170	0.3
64.82759	0.2
72.97663	0.5
72.99166	37.7
73.00858	0.5
73.02801	1.4
73.99538	0.3
74.56308	0.2
75.00732	28.7
75.02506	0.5
75.48035	0.2
78.95749	0.2
82.96530	0.2
87.59305	0.2
89.02274	0.2
96.95897	0.3
203.02582	0.2
204.42064	0.3
209.19049	1.0
211.20592	0.2
221.19041	0.4
239.20142	1.0
272.37320	0.3
284.26624	0.3
285.04120	1.1
285.20724	100.0
285.33932	0.8
286.21051	4.8
298.96298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.96119	0.9
51.72509	0.8
59.01231	3.3
61.98691	2.1
72.94729	1.1
77.23805	1.1
91.72733	1.1
103.22572	1.3
121.02152	1.1
125.87228	1.8
139.73405	1.1
226.00182	1.3
240.23195	2.9
268.22839	1.6
284.22391	1.3
286.23889	100.0
287.24393	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Cyanomaclurin
Peak:m/z	Relative Intensity
50.18894	1.1
51.68439	1.3
59.01239	8.8
61.95724	1.4
64.07207	1.4
71.01228	2.0
72.99164	2.8
75.79895	1.5
95.80063	1.6
106.93947	1.4
108.02051	10.6
109.02797	5.1
111.04272	1.9
114.02477	1.4
117.03222	1.6
125.02325	3.2
136.01497	1.9
137.02286	5.2
150.03047	1.8
161.02354	12.9
165.01814	12.6
167.50008	1.5
168.95186	1.6
171.04446	1.8
172.05183	1.4
173.06018	8.1
175.03935	5.8
177.01891	2.4
178.02634	6.4
179.03423	1.5
187.03918	2.8
188.04715	2.4
189.05482	5.6
200.04785	2.2
213.05566	2.2
215.03479	2.1
216.04338	2.9
216.06570	2.6
217.05023	64.0
218.05341	4.3
231.94391	2.1
241.04999	3.0
243.02879	1.8
244.06166	5.6
252.04240	2.9
268.03723	2.1
269.04630	10.6
287.05630	100.0
287.15057	7.5
288.05917	5.8
288.54016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	Arizonicanol A
Peak:m/z	Relative Intensity
59.01244	1.9
62.97597	0.7
78.95797	0.7
92.02541	2.3
93.03302	4.3
95.01215	0.9
97.12487	0.8
106.04096	7.2
107.04891	2.9
108.02025	2.3
109.02763	1.5
112.88783	0.6
115.49767	0.7
120.99120	1.2
121.02824	100.0
122.03706	5.8
133.93069	0.7
136.05180	1.4
137.02347	2.2
162.09843	0.8
182.02017	1.1
197.06007	1.6
203.06252	1.0
225.05339	1.1
228.07896	34.4
229.08321	1.0
243.10245	32.0
244.10547	2.0
246.85382	0.7
269.04767	1.2
287.06018	2.2
287.09262	58.5
287.21896	1.1
288.09607	3.4
295.85049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.17371	0.5
51.45435	0.5
51.81549	0.5
57.03322	1.2
59.00106	1.4
59.01240	92.3
59.02506	1.4
60.01580	0.7
63.62584	1.1
91.72767	1.1
97.06464	0.6
99.04386	2.2
130.22525	0.6
165.12711	1.8
197.46568	2.1
207.13867	2.9
209.11766	8.8
225.14922	6.8
227.12849	54.5
228.13226	2.2
245.50301	0.9
251.12825	2.1
269.13916	15.6
270.14240	0.7
287.04626	1.9
287.15009	100.0
288.15329	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	287.1653
Annotation	Hynapene B
Peak:m/z	Relative Intensity
57.03080	0.6
57.03321	8.3
59.01235	2.0
65.94922	1.0
67.01762	0.6
69.01682	0.5
69.03313	27.4
80.02560	0.6
81.03313	2.0
83.04889	4.7
85.02792	1.1
85.68780	0.4
91.72828	1.6
93.03298	2.4
95.01274	0.8
95.04897	4.1
96.02031	1.5
97.02811	14.7
99.04414	2.6
105.06967	0.6
106.04114	3.0
107.04894	1.5
107.08502	0.9
108.02049	1.3
108.05652	0.8
109.02809	2.1
109.06448	2.3
111.00774	0.9
111.04416	0.5
119.04896	1.5
120.05673	0.6
121.02795	1.4
121.06435	1.5
121.10071	0.9
122.03645	2.5
123.04471	0.7
123.08050	1.2
125.02314	0.8
125.05939	2.8
133.06470	0.6
134.07283	1.7
135.04387	3.6
135.08020	0.6
136.05191	1.0
145.06499	0.5
149.09612	0.9
161.09442	0.7
173.09665	1.4
187.11150	0.8
187.14822	1.2
189.12872	1.5
201.12788	2.4
215.17987	0.6
217.15929	1.9
225.16460	3.2
225.18501	1.0
227.14421	0.6
229.12349	2.2
231.13922	3.1
239.20184	1.2
241.16019	2.1
241.21703	2.9
243.13928	4.9
243.17522	36.3
244.14700	0.6
244.17876	2.0
245.15479	5.0
259.17072	6.8
265.71811	0.8
269.15485	4.2
287.16556	100.0
287.21829	15.4
288.16855	6.4
288.22195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64899	0.3
54.31820	0.3
59.34126	0.3
60.99138	0.4
72.99163	32.8
73.00794	0.7
73.99525	0.3
75.00729	24.5
79.93788	0.3
88.42225	0.3
88.50583	0.3
99.32860	0.3
104.90350	0.3
139.92416	0.3
173.12941	0.4
211.20619	3.0
221.14432	0.3
223.20834	0.4
227.33353	0.4
239.20219	0.5
241.21675	2.6
244.13983	0.4
278.07458	0.4
287.22290	100.0
288.22632	4.7
296.82468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
60.99141	0.5
70.91087	0.5
72.99164	38.5
73.00818	0.6
74.30593	0.4
75.00730	26.5
75.02448	0.5
101.80891	0.6
104.92902	0.4
109.50496	0.5
131.22206	0.4
169.21739	0.5
183.64244	0.5
197.77364	0.5
209.07635	0.5
211.20602	2.2
225.22148	1.0
241.21704	2.6
287.22287	100.0
288.22626	5.7
296.82468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01242	1.0
68.92065	0.6
69.03320	0.8
71.01237	4.8
72.99160	2.4
91.73441	0.8
95.64743	0.7
125.02285	0.7
178.89868	0.6
197.19023	4.6
221.19038	0.8
223.20634	12.9
251.88577	0.6
267.19785	0.8
287.22296	100.0
288.22659	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.05670	0.4
57.03318	3.3
59.01226	1.4
65.67807	0.5
71.04874	1.0
72.99145	0.5
83.89256	0.4
90.36281	0.4
170.88229	0.6
174.99023	0.5
183.17491	0.7
211.17091	0.8
211.20628	5.0
239.20146	12.3
241.21718	23.3
242.22043	1.9
287.22293	100.0
288.22711	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55505	2.0
58.00460	19.0
59.01245	100.0
59.02352	2.4
60.13244	2.4
61.98689	4.3
64.65070	1.9
69.03329	2.9
70.02844	3.7
71.01235	2.9
72.00786	3.9
72.99160	30.7
73.55983	2.3
75.00732	3.8
82.02831	17.2
83.01225	2.7
84.01556	3.2
84.04415	4.7
87.00727	2.9
88.30095	2.3
88.30652	2.4
90.42805	2.4
92.04902	4.4
94.02833	2.9
96.04404	61.6
97.03562	2.3
98.02335	2.4
98.05972	58.1
101.02309	28.9
109.90332	2.4
110.05979	24.0
112.03923	10.8
112.07531	3.7
114.05482	8.7
115.00249	3.1
122.05921	2.8
122.85745	2.4
124.03916	28.3
125.02374	2.9
126.05487	52.9
128.07051	77.1
130.99747	7.9
132.00165	2.7
133.01299	5.0
138.05443	2.8
140.01636	3.3
142.04988	51.3
144.06572	2.8
150.05486	14.6
154.04974	35.2
154.99770	9.9
156.00069	11.1
156.06570	9.9
158.08138	23.2
163.97250	2.4
166.05016	5.2
168.02939	56.1
168.06577	5.4
172.06100	5.5
178.48706	3.2
182.04523	6.6
186.03970	25.1
188.09290	4.5
200.05701	2.8
228.05078	19.8
254.37582	2.6
256.04654	5.2
285.80872	2.7
288.07455	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.99479	0.3
59.01248	2.0
68.77820	0.4
68.99619	0.4
76.07921	0.4
78.92030	0.4
81.03313	2.0
92.04905	1.2
93.03301	1.6
99.42506	0.4
107.03638	0.6
108.04413	4.6
109.02806	4.6
114.93956	0.5
121.02825	0.5
134.02354	41.1
135.03157	9.8
136.03920	40.1
137.02318	1.4
137.04257	1.3
148.03922	0.7
149.04747	1.4
176.03445	5.8
176.57423	0.4
177.04166	0.6
196.81740	0.4
216.75899	0.5
245.65526	0.5
288.16064	100.0
289.16360	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	289.0718
Annotation	(S)-1,4-Dihydro-b,5-dihydroxy-3-methyl-1,4-dioxo-2-naphthalenebutanoic acid
Peak:m/z	Relative Intensity
54.85361	0.5
55.08005	0.5
57.03314	1.1
59.01243	3.0
67.01751	1.2
68.99659	1.7
69.03315	1.2
72.99174	1.5
79.05375	1.0
81.03321	4.3
83.01247	6.9
83.04886	3.3
85.02806	44.7
85.05002	0.8
91.05373	0.8
91.72712	0.6
93.03313	5.4
95.01244	0.9
95.04859	0.6
97.02813	3.1
105.06979	0.7
106.04097	0.7
107.04247	0.8
107.04856	3.5
108.02023	2.3
109.02795	6.1
111.04377	7.6
115.05391	2.3
117.03353	0.7
117.07018	1.0
119.04908	5.0
121.02811	7.8
122.03588	1.0
123.04377	12.0
124.01543	5.8
125.02317	1.3
125.05948	1.2
128.03397	1.0
129.06961	2.1
129.44434	0.6
130.04144	3.5
131.03990	1.0
131.04907	13.3
132.05692	1.2
133.02850	1.5
133.06470	5.3
134.03642	0.6
135.04388	6.5
137.02353	3.7
138.03102	3.1
139.03883	11.7
143.04890	2.0
145.02867	1.7
145.06474	4.5
146.03566	1.9
147.04407	9.7
147.08037	4.0
149.02298	1.7
149.05975	1.4
150.03110	4.7
151.03880	4.9
155.04872	1.0
156.05692	2.4
157.06473	9.0
158.03635	3.9
159.04411	93.8
159.07985	1.7
160.05128	6.6
161.05971	7.0
163.03900	2.5
165.01845	1.2
167.03403	2.9
167.04826	0.9
169.06448	1.1
171.04366	1.4
171.08051	2.7
172.05113	2.3
173.04555	1.0
173.05986	12.2
174.06802	6.7
175.03905	2.5
175.07555	61.9
175.13976	0.7
176.07895	3.5
180.05783	2.0
181.05020	1.3
181.06407	4.6
182.02100	1.9
183.02905	7.2
183.04462	1.8
183.08066	1.5
184.05188	1.4
185.05977	8.2
187.03926	11.4
187.07565	2.1
188.04741	3.4
189.05478	2.7
189.09131	6.0
190.51167	0.7
196.05147	0.7
197.05952	6.1
198.06738	2.2
199.04016	0.9
199.07573	12.5
201.05505	30.5
201.09206	1.1
202.06256	7.9
203.07080	21.3
204.07463	0.8
206.05875	0.9
208.05241	4.4
209.06006	7.7
210.06784	5.3
212.04755	1.3
215.07074	5.5
216.07762	1.6
217.05037	1.9
217.08640	10.5
223.03862	0.9
224.04866	1.5
225.05502	11.9
226.06299	18.4
227.07094	100.0
228.07454	6.1
243.06554	1.5
245.08177	70.6
246.08481	4.7
253.05032	12.7
254.05339	1.3
256.07385	1.9
271.06131	41.0
272.06479	2.4
289.07205	31.2
289.12762	8.0
290.07626	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89923	0.6
58.15069	1.2
58.15313	0.6
59.01241	10.0
66.45567	0.7
66.73923	0.6
80.02515	1.8
83.56667	0.7
95.04866	2.3
97.06443	2.2
100.36952	0.6
106.04077	1.1
106.63050	0.7
107.04884	0.9
109.06456	2.1
115.07520	1.3
119.04948	1.1
120.05653	1.0
121.06454	1.5
134.07217	1.3
141.09079	1.2
145.06459	2.0
145.10139	0.8
147.08061	1.9
148.08836	3.1
149.09650	2.1
150.10341	3.5
151.11113	0.8
161.09642	1.4
163.11188	40.4
164.11551	1.2
165.12717	4.4
173.09685	1.8
174.10374	1.8
176.12019	1.0
177.12755	1.2
187.11241	1.3
189.12761	3.0
191.14337	56.2
192.14671	3.1
202.41515	0.7
204.15157	0.9
215.14305	0.8
217.15918	8.3
245.19092	39.8
246.19392	2.1
246.51947	0.8
271.17065	9.2
272.17401	0.8
280.24200	0.9
289.18109	100.0
290.18491	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	291.0876
Annotation	(+/-)-Altenuene
Peak:m/z	Relative Intensity
57.03311	7.4
58.18592	0.6
59.01236	5.4
63.83892	0.7
67.01729	1.9
77.93409	0.8
78.95738	0.8
79.05380	1.5
81.03312	12.3
83.04879	19.7
85.02815	1.2
86.33365	0.9
88.58937	0.8
89.02289	0.8
96.95836	1.3
97.06460	1.9
107.04888	7.5
109.02797	3.6
111.00755	0.9
111.04350	1.3
113.02350	1.0
115.24738	0.9
121.02834	6.5
122.03578	3.3
123.04336	1.0
124.72578	0.8
124.87138	0.8
125.05951	81.0
126.06293	2.1
135.04361	1.7
137.02318	1.0
138.99214	0.9
143.04901	2.4
145.02858	2.3
146.03610	14.0
147.04390	1.5
151.03886	2.2
159.04384	6.0
160.05087	1.0
161.05981	35.6
169.04961	77.2
170.05269	2.6
183.09909	1.1
185.06084	1.0
187.07541	1.7
188.04657	0.9
189.05495	100.0
190.05836	3.7
198.16063	0.9
203.07077	91.2
204.07372	3.4
229.08661	12.2
230.09019	0.9
246.90172	1.2
247.09775	7.9
254.85684	1.5
273.07645	12.5
273.10364	1.0
274.08182	0.9
291.08752	71.6
292.09006	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.82451	0.5
53.75608	0.6
57.03318	8.0
59.01242	4.2
61.93199	0.6
67.01752	0.6
83.04867	3.0
91.51331	0.6
93.56078	0.6
99.86613	0.7
109.06449	2.3
110.82110	0.6
121.02814	0.9
125.05920	1.0
125.09603	8.1
127.39466	0.7
128.66821	0.7
135.08063	1.1
151.11176	2.2
153.09097	0.7
157.47708	0.8
161.82671	0.7
163.11154	2.4
165.09125	1.5
165.12749	1.5
179.14391	1.4
181.12273	2.1
219.17647	0.9
238.04787	0.7
247.20621	5.9
266.74423	0.8
291.19678	100.0
292.20050	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.04898	0.3
53.73195	0.5
56.14719	0.3
59.01227	1.2
66.96194	0.3
67.70361	0.3
70.76083	0.3
74.11771	0.3
80.96365	0.4
81.93667	0.3
83.04881	0.3
87.96117	0.3
97.06439	0.4
101.68548	0.3
107.42524	0.3
119.04842	0.4
121.02787	0.6
123.07922	0.3
125.05936	0.9
127.07473	0.3
143.03651	0.3
148.08833	1.5
150.10388	1.3
151.11148	0.4
153.46637	0.3
163.11177	1.4
165.12749	22.5
166.13098	0.7
175.11148	0.6
176.11909	0.4
177.12856	0.6
179.14409	0.5
191.14334	0.8
192.95906	0.7
208.62399	0.3
209.04550	0.5
217.15979	0.4
219.17358	0.4
247.20653	11.8
248.21034	0.6
273.18640	6.5
274.18839	0.5
291.19678	100.0
292.20020	6.0
309.42609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0684
Annotation	CHEBI:83637
Peak:m/z	Relative Intensity
51.59620	1.3
59.01243	12.2
59.73945	1.2
61.98677	1.4
69.03326	1.4
71.01225	1.9
75.00695	1.7
86.02316	12.1
89.02309	3.2
90.75163	1.4
96.95913	2.0
101.02287	1.6
104.07458	1.6
113.02292	2.0
120.01110	11.3
120.04417	1.7
124.68604	1.5
130.08582	5.2
131.54477	1.4
161.04535	42.4
164.07074	1.8
205.03560	18.3
248.07800	11.1
292.06836	100.0
293.07080	4.2
293.12466	3.0
299.02139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74185	0.1
54.22320	0.2
57.03293	0.2
58.02837	0.4
59.00969	0.3
59.01243	4.7
61.98682	0.7
67.08289	0.2
68.04890	0.2
69.03305	0.6
71.01237	3.8
72.99157	0.5
73.02798	2.5
75.00726	1.8
78.95757	0.4
81.03313	0.2
83.01244	1.5
85.02807	2.0
87.00713	1.0
88.03879	0.6
89.02296	16.0
89.04530	0.2
90.02611	0.3
90.98449	0.8
93.03271	0.2
95.01227	0.3
96.95860	0.3
96.96835	0.4
97.02811	0.3
99.00719	0.3
101.02303	9.7
111.00742	0.3
112.03910	0.7
112.98672	2.1
113.02299	5.8
114.05473	0.3
115.00196	0.3
117.01784	0.6
118.02147	0.3
119.03442	0.2
128.03398	0.4
129.01805	0.4
130.05093	1.2
130.08611	100.0
130.12428	1.4
130.99744	1.4
131.03386	0.9
131.04425	0.3
131.08961	2.2
135.04398	0.2
142.04984	1.9
143.03403	0.5
161.04451	3.1
161.06395	0.2
165.99565	0.3
176.07057	0.2
193.99094	0.4
205.05379	0.6
212.00259	1.2
233.06541	0.3
256.06876	0.2
292.08859	0.3
292.11841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08087	0.3
54.04044	0.3
58.02839	0.9
59.01241	1.1
64.40157	0.3
69.53245	0.3
74.35268	0.3
81.66476	0.2
96.95882	0.3
97.94492	0.3
149.81029	0.3
156.13831	100.0
156.18761	1.3
157.14168	3.5
192.11482	0.4
200.12865	3.4
205.12160	0.4
220.14677	1.6
221.15451	3.0
232.01347	0.3
236.10489	2.0
292.19202	0.4
293.17697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02828	0.7
59.01242	0.4
71.01234	0.2
76.25974	0.2
104.65013	0.2
112.87042	0.2
122.73736	0.2
123.51394	0.2
152.91666	0.3
156.08835	1.1
156.13829	100.0
157.14194	2.6
200.12881	3.3
205.77257	0.2
220.14719	1.0
221.15434	2.2
236.10533	1.8
240.47911	0.2
241.40292	0.2
255.80240	0.2
269.71161	0.2
292.19202	0.9
293.17401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66288	0.1
57.97421	0.2
58.27499	0.1
59.01236	0.2
65.01303	0.8
66.00844	0.4
67.02860	0.2
70.97871	0.2
70.99466	8.0
71.99371	0.1
71.99821	0.1
80.70657	0.1
82.03945	0.1
83.04891	0.2
87.96533	0.1
91.02876	4.3
92.02392	1.2
103.62874	0.1
106.03985	0.2
131.86412	0.1
133.00885	1.2
133.05078	100.0
134.04575	0.2
134.05508	2.0
148.95267	0.1
164.02856	0.3
165.02274	0.4
166.00629	0.1
176.97665	0.6
177.04095	60.2
178.04506	1.4
187.03645	0.1
205.05478	17.0
206.05811	0.6
249.04514	12.7
250.04738	0.6
293.03500	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	293.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99713	0.9
59.01234	1.3
64.87054	0.8
71.01250	1.2
84.51079	0.9
87.00740	2.9
94.70583	0.8
102.98454	2.3
120.99525	18.4
126.43965	0.8
127.05727	3.1
153.83911	0.9
161.04533	32.2
163.25369	0.9
199.03079	1.0
205.03558	14.4
220.06094	1.9
249.06233	24.7
249.08681	1.7
259.06531	1.2
293.05243	100.0
294.05539	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64348	0.1
57.97427	1.6
59.97010	0.2
59.99003	0.1
61.60341	0.1
65.01302	0.5
66.00839	0.2
67.02864	0.6
82.03980	0.1
83.01342	0.1
91.02879	2.2
91.73354	0.1
92.02402	0.7
96.36008	0.1
106.03965	0.1
108.02638	0.6
108.05537	45.0
109.05233	0.1
109.05880	0.8
110.00597	0.1
117.04427	0.1
125.01669	0.5
133.00963	1.3
133.05077	100.0
134.05486	1.9
135.06595	0.1
139.01993	0.6
150.01250	0.1
158.07076	0.1
176.02792	0.3
177.04091	0.5
185.08253	5.0
186.08598	0.1
195.01503	0.2
204.04733	0.2
205.05405	0.1
217.05516	1.0
218.06284	0.8
218.98409	0.2
219.07059	25.0
220.07359	0.9
249.08148	5.0
250.08379	0.2
273.40497	0.1
293.07169	14.3
294.07458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35720	0.1
59.01237	0.5
69.37113	0.1
71.01235	0.2
74.09141	0.2
79.95585	2.5
89.02293	0.2
95.95121	0.6
96.93629	1.1
96.95869	100.0
96.98479	1.3
97.95831	0.3
100.48679	0.2
114.06646	0.2
123.92517	0.2
134.24313	0.3
145.10454	14.7
146.10808	0.4
149.05969	2.5
168.36472	0.2
177.77333	0.2
205.12373	0.4
220.14592	1.0
221.15402	2.3
236.10506	1.4
293.18027	70.6
294.18372	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	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.85284	0.4
57.03316	0.4
59.01230	1.1
61.41801	0.3
63.64778	0.3
86.85816	0.4
95.04868	0.4
100.16169	0.4
111.08028	0.7
124.97208	0.4
167.10651	0.7
177.12868	0.4
179.14302	1.1
193.51585	0.4
195.13815	14.2
196.14569	4.0
205.12262	1.2
205.15958	0.9
205.54613	0.4
211.13220	0.5
221.15245	0.5
223.13362	12.0
224.13988	1.3
228.13628	1.2
231.21028	0.7
236.10445	0.5
239.12885	0.6
256.13165	5.7
265.21729	0.8
275.20203	9.6
276.20477	0.4
293.21234	100.0
294.21606	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
59.01241	8.4
61.98696	2.5
67.38563	2.2
71.01239	3.3
72.56047	2.4
80.78751	2.5
86.68628	2.2
86.96252	2.1
96.95869	100.0
139.11165	2.9
157.90636	2.6
174.43488	2.4
177.09200	3.1
191.18060	3.0
198.59979	2.2
211.49950	2.3
220.14685	15.5
221.15392	26.0
236.10461	20.5
293.17932	79.6
293.21286	88.5
294.18320	5.4
294.21536	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	293.2124
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
50.57690	0.6
58.64832	0.5
59.01241	6.4
61.98708	0.7
63.50113	1.0
65.44832	0.6
67.54637	0.6
70.99774	1.1
71.01292	2.2
71.04930	2.9
81.51093	0.8
89.77950	0.7
92.92701	0.7
96.95924	1.8
136.08821	1.1
161.34393	0.6
191.17970	1.3
192.11533	1.5
193.15901	0.9
194.92833	0.9
209.15485	1.8
217.15906	1.0
220.14629	3.4
221.15443	9.5
231.21178	5.8
233.15599	0.9
235.17012	80.1
236.10483	5.1
236.17340	3.8
237.18506	1.1
275.20193	100.0
276.20486	6.9
293.14529	3.4
293.18100	2.4
293.21228	69.5
294.21634	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	295.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91277	0.6
59.01242	6.4
65.03818	0.7
67.93204	1.3
71.01250	0.6
71.18567	0.5
72.32531	0.6
82.59416	0.6
83.04849	0.7
93.03308	3.5
93.23449	0.5
93.47182	0.6
95.49825	0.6
96.95856	0.7
106.04102	1.6
107.04887	19.1
107.88142	0.5
109.02831	1.2
114.01772	0.8
119.04842	2.4
121.02823	8.5
122.03608	20.3
124.01522	1.1
137.02284	2.2
151.03828	0.7
154.02583	2.2
166.99739	0.6
188.15794	0.5
203.51419	0.6
223.07330	2.5
228.07845	0.8
235.08046	0.7
251.06882	100.0
252.07205	5.3
295.05875	88.1
296.06235	5.9
311.89529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
55.49721	0.9
57.03299	1.1
59.01239	16.0
61.54759	1.1
69.03301	2.4
71.01243	1.7
71.04877	9.6
76.15631	0.9
77.65461	1.0
77.79386	1.0
83.04880	1.3
85.30091	0.9
87.04372	2.3
97.06447	4.8
101.02300	1.3
105.06821	1.0
106.04076	3.0
121.10122	1.2
123.08010	1.9
132.08072	2.7
161.13229	1.8
163.11176	1.5
175.14795	1.2
175.18927	1.0
181.12303	8.4
193.12254	3.3
193.15880	5.5
207.13857	9.4
208.50073	1.1
209.15424	21.2
211.44164	1.3
215.17993	4.3
219.13892	17.3
221.15479	1.9
226.88885	1.5
237.14951	100.0
238.12369	9.3
238.15273	5.9
239.90294	1.5
250.12433	1.3
252.13887	2.5
259.17072	4.0
277.18079	20.9
295.19162	82.0
296.13010	6.0
296.19507	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.98712	0.2
57.03303	0.7
59.01241	3.3
59.36628	0.3
69.03310	0.2
71.50145	0.3
76.22553	0.2
80.92036	0.2
83.04881	0.4
86.47791	0.2
87.70266	0.2
97.06442	0.5
113.09569	1.9
128.04445	0.2
141.47186	0.2
148.74702	0.2
149.64684	0.2
169.12131	0.2
174.17305	0.2
177.12776	0.6
179.14297	0.9
181.12253	0.6
187.23759	0.2
195.06618	0.3
195.13832	18.4
196.14183	0.7
233.22687	0.3
234.34015	0.2
277.21725	19.0
278.21954	0.6
295.22784	100.0
296.23132	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	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.05740	0.5
56.01258	0.6
59.01234	3.9
61.98706	0.6
64.91479	0.6
65.46034	0.6
70.01082	0.6
73.02738	0.7
83.04903	0.8
85.75303	0.6
91.72692	0.9
98.95437	2.0
108.07283	0.7
139.51428	0.9
141.12729	8.8
155.14333	4.1
181.24950	0.7
249.22215	8.6
257.21182	1.0
277.21753	1.2
295.22794	100.0
296.23022	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	296.0823
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
58.23360	0.2
59.01221	0.5
65.01308	0.2
68.85307	0.2
71.51798	0.2
73.26363	0.2
91.72748	0.3
92.02402	2.0
98.02316	0.2
107.03487	6.6
134.00255	1.1
134.04602	100.0
134.08354	1.1
135.05078	1.6
148.03944	1.0
176.03462	0.4
190.45465	0.2
215.13985	0.4
225.26808	0.2
296.08286	3.8
297.08636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1292
Annotation	Cinnamolaurine
Peak:m/z	Relative Intensity
59.01233	5.6
61.44818	1.3
82.79079	1.3
92.92703	1.3
94.82064	1.6
103.48301	1.7
106.04102	30.9
108.02027	3.4
117.93459	1.5
119.37987	1.6
129.70416	1.5
132.08063	20.9
144.04393	2.2
145.05191	4.3
146.09660	3.7
160.07581	10.0
190.08655	11.9
224.10884	2.2
225.11230	2.2
237.15036	6.2
238.12347	100.0
238.14857	3.5
239.12747	5.4
250.12296	10.9
252.13940	40.0
277.18060	2.5
295.19324	4.4
296.12900	52.6
296.19440	8.5
297.13272	4.3
297.24472	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	297.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01243	20.3
60.01565	1.0
61.01653	0.7
61.98695	9.5
71.01237	10.1
72.00768	1.8
72.01582	0.9
72.04385	1.1
72.99144	0.9
73.01109	0.9
73.02805	41.0
74.02334	3.7
75.00731	44.6
78.95755	3.1
85.02821	2.1
87.00750	0.8
88.03891	1.2
88.27016	0.7
89.02299	16.6
90.02612	1.2
91.72753	1.0
94.02845	1.1
96.96841	3.1
97.90644	0.7
98.02347	1.6
99.00730	6.1
99.02695	1.1
101.02291	4.5
106.06461	0.8
113.02314	3.7
113.03420	1.2
115.00252	1.0
116.03404	6.7
116.07066	6.4
116.98355	1.2
117.01801	100.0
117.03676	2.4
117.05502	2.1
117.07381	2.2
118.02158	1.4
118.04964	9.9
119.03357	1.5
121.89980	0.8
124.03951	1.7
124.61834	0.8
131.04466	1.9
132.02916	2.9
135.04341	1.1
148.03908	2.0
161.04477	1.6
166.03467	0.8
179.05501	1.9
207.08525	1.1
208.09776	1.6
255.95227	0.9
260.09341	1.5
261.09689	0.9
263.90060	0.8
297.07837	1.5
297.12204	0.8
298.07233	0.9
307.61905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
57.03296	0.7
58.58953	0.6
59.01237	5.1
60.41300	0.6
63.74075	1.2
70.11710	1.7
70.12059	1.2
71.01196	0.7
75.00726	1.0
76.72416	0.7
77.52650	0.6
81.03310	2.0
83.04866	2.1
89.84537	0.7
93.03275	0.8
97.06432	2.2
107.08968	0.7
109.06415	0.7
111.08030	1.0
121.02781	3.3
122.03619	6.5
123.04408	1.8
135.04468	0.7
135.08044	0.9
136.05165	2.2
139.11168	6.6
145.81490	0.8
164.08226	1.7
165.12753	1.4
168.04184	1.2
170.81755	0.8
177.16357	0.7
179.14290	3.2
184.22154	0.8
185.36931	0.8
193.15823	1.2
203.14337	5.2
214.98679	1.6
219.13820	0.9
221.15421	64.0
222.15793	3.2
247.13380	18.8
253.18112	8.4
265.14453	92.5
266.14691	4.8
271.52295	0.7
279.15921	3.3
297.17072	100.0
298.17355	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	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82815	0.5
53.32571	0.5
53.37011	0.5
53.37295	0.5
54.41765	0.5
56.86757	0.5
59.01230	2.1
61.14451	0.6
66.43090	0.5
71.88094	0.6
81.03314	0.7
88.22359	0.6
108.05659	2.4
121.06432	1.3
125.05975	5.9
131.08543	1.3
133.06512	0.8
134.07249	3.1
138.06731	2.1
147.08011	0.9
149.09608	42.1
149.14174	0.8
150.09888	0.7
151.11172	1.0
165.09155	4.7
167.04707	0.9
167.10678	70.5
168.10985	2.1
170.05774	6.2
175.07542	1.2
193.08632	24.7
193.10391	1.4
195.10173	0.8
199.23738	0.7
207.34129	0.7
211.09705	100.0
212.10065	3.6
214.89706	0.9
214.98572	1.7
217.15935	2.7
220.22929	0.8
223.13538	0.6
239.12691	1.1
263.54623	0.7
279.15829	1.5
297.17010	2.3
297.24313	3.9
297.27359	0.8
309.85599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1708
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
59.01242	36.6
60.99162	1.2
69.03310	23.5
71.01229	10.7
71.04881	6.7
73.02805	8.4
73.03164	1.6
80.67297	1.4
85.02799	2.2
91.05462	1.7
91.72984	1.3
96.52326	1.7
97.02806	3.6
97.06432	5.5
99.04384	5.5
100.53432	1.4
111.04366	1.9
113.02305	27.1
115.03870	32.6
121.06513	2.0
125.05949	6.8
127.11156	17.6
135.07980	2.7
136.05193	1.9
137.09599	5.8
149.05980	2.7
150.06793	1.7
150.10490	1.9
153.12787	4.7
163.11128	3.0
164.08321	25.8
165.12744	60.2
166.13069	2.5
178.09944	8.3
179.10713	9.5
181.12302	8.7
181.15872	1.5
192.11540	6.5
203.47566	1.6
204.07784	2.0
207.13820	9.9
209.11755	1.6
214.98758	3.9
217.15935	8.3
219.13866	3.0
220.14674	1.6
222.08871	9.2
225.35814	1.6
235.17012	40.2
236.17340	2.2
256.29504	1.5
261.14978	2.2
279.16019	100.0
280.16397	4.4
297.17004	12.7
297.24310	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	297.1709
Annotation	Artemether
Peak:m/z	Relative Intensity
54.27484	1.0
57.03317	9.8
58.00460	1.1
59.01243	24.7
61.78352	1.0
62.85955	1.0
67.05406	1.2
69.03322	14.5
71.01234	3.7
71.04885	6.9
71.59746	1.4
71.60280	1.2
72.99161	1.7
73.02815	2.7
74.61987	1.2
81.03288	1.7
83.04887	9.3
85.02810	2.0
87.04366	2.6
91.72639	2.2
93.03320	2.1
95.04889	6.2
97.06448	3.8
109.06483	4.9
111.04325	2.3
111.08014	1.9
113.96915	1.6
117.03331	2.8
121.06477	2.5
121.10102	1.6
123.08006	4.8
127.07479	1.7
135.08049	1.4
135.11725	1.5
141.05528	1.5
149.09569	3.2
151.11160	3.3
153.09067	3.8
155.10641	1.4
156.01726	1.3
159.11768	1.6
163.11205	4.4
165.12726	4.6
167.10695	12.8
169.12242	4.3
177.09276	1.7
177.12746	6.5
179.10692	8.1
181.12254	7.0
191.10687	12.0
195.10188	4.1
197.11754	33.5
198.16333	1.7
199.14951	2.0
203.10716	1.9
209.11760	48.2
210.12123	3.3
211.13301	9.0
214.98654	3.1
217.15906	7.8
221.11833	9.0
235.17001	1.9
239.12849	8.0
261.14908	10.0
279.15930	4.5
297.04443	3.0
297.17056	100.0
297.24277	8.4
298.17355	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	297.1709
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
57.03304	4.1
58.00461	0.8
58.84404	0.7
59.00971	1.6
59.01244	24.3
65.32811	0.8
67.05390	1.1
69.03309	2.9
71.01236	10.5
71.04894	1.9
71.98289	0.9
72.02009	3.2
72.99165	25.1
73.02801	3.1
75.00730	35.1
77.93668	0.8
80.02537	2.0
81.03305	3.1
83.04880	25.3
84.02008	5.6
85.02818	2.4
87.04335	0.8
89.37732	0.9
95.04884	6.3
97.02826	1.1
97.06452	17.0
99.04375	2.8
99.08017	7.8
100.36008	0.9
108.02065	1.2
109.02818	1.0
109.06468	10.0
110.03600	3.2
111.04382	3.0
111.08023	2.0
113.05922	1.2
113.09576	4.7
115.07495	1.6
119.08524	1.8
121.06463	1.3
121.10148	1.0
123.08086	1.3
124.05228	1.0
125.05938	1.6
125.09612	2.5
127.07518	26.6
135.04343	1.8
135.08022	8.9
137.09642	4.9
139.07529	12.3
142.25113	0.8
143.07039	10.1
151.07582	2.1
151.11154	1.4
153.09081	8.2
155.10622	2.6
157.08598	29.9
163.07561	3.2
163.11186	2.2
164.08325	2.0
165.09084	2.9
167.10782	0.9
169.08600	27.3
170.08974	1.6
178.09877	4.7
181.08620	73.9
181.12137	8.8
182.08977	2.3
189.12820	1.7
197.11757	1.5
200.92119	0.9
203.10666	1.2
205.12215	1.0
207.13809	1.9
208.07466	4.4
209.11806	2.7
210.08928	42.2
211.09380	1.6
217.15941	16.1
219.13841	1.5
221.11812	2.0
223.13329	1.3
228.09999	8.0
235.17015	10.7
253.14447	36.5
254.14848	2.2
261.14954	10.5
279.16022	100.0
280.16373	5.4
297.13419	49.1
297.17084	43.8
297.24246	6.0
298.13745	3.4
298.17413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1708
Annotation	Artemether
Peak:m/z	Relative Intensity
51.92813	0.7
57.03315	12.9
59.00977	1.2
59.01243	19.0
59.24485	1.1
65.61888	0.8
69.03313	14.3
71.01242	4.2
71.04877	7.2
73.02782	3.9
81.03305	3.1
83.04876	14.1
85.02747	1.2
87.04354	4.7
93.03297	1.9
93.07003	0.9
95.04871	5.8
97.06452	4.5
99.04371	2.6
101.87390	1.0
107.04938	1.9
107.08508	1.9
109.06465	7.0
111.04390	3.3
111.07999	2.4
118.80576	1.1
118.99715	1.0
121.10109	3.3
123.08015	3.2
125.92970	1.1
127.07510	2.3
133.10092	1.7
135.08028	1.9
135.11636	1.4
147.11687	2.3
149.09627	4.9
151.11159	1.8
153.09088	3.2
153.12749	2.9
159.11734	2.0
161.09541	1.1
163.11150	3.5
165.09215	1.6
165.12738	10.5
167.10655	11.4
169.12276	5.1
175.11195	1.6
177.09122	1.8
177.12708	5.1
179.10669	9.6
181.12256	7.9
188.13286	1.3
191.10658	9.1
193.12251	2.5
195.10181	3.0
197.11758	38.5
198.12152	1.7
199.14890	2.6
203.10692	2.3
209.11774	61.8
210.12093	3.4
211.13290	6.5
214.98688	2.2
217.15973	6.6
221.11806	9.5
239.12891	5.7
252.93878	1.1
260.84174	1.0
261.14938	9.8
279.16080	4.1
297.17068	100.0
297.24173	7.7
298.17313	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	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.1
59.01474	1.0
68.51022	1.2
69.03295	1.4
71.04861	2.1
71.09556	1.1
83.04848	3.5
85.02779	2.3
97.06408	2.2
108.05692	2.9
109.02843	1.9
109.06413	1.3
113.05939	4.6
125.05988	6.4
134.07268	3.7
137.09596	2.2
138.06799	1.7
149.09610	41.8
150.09964	1.6
165.09084	4.8
167.10680	72.2
168.11079	3.1
170.05725	8.1
172.99022	1.6
181.08603	2.4
181.49074	1.4
186.99129	2.9
189.00795	2.6
193.08614	22.8
211.09708	100.0
212.10081	3.9
255.05400	1.6
297.06625	10.5
297.16998	11.8
297.24292	9.0
312.68909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.46438	0.4
59.01226	1.4
61.98710	0.4
126.29286	0.4
149.84702	0.5
183.01128	1.9
237.22118	0.5
253.25327	0.6
297.15244	3.5
297.24344	100.0
298.24643	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
54.02551	1.2
59.01222	4.1
64.07561	1.2
69.51114	1.1
70.49673	1.1
76.16296	1.2
81.82408	1.2
101.20252	1.3
111.72938	1.4
147.86839	1.6
155.10703	10.3
183.01138	4.8
191.77080	1.4
214.98631	2.6
236.09837	1.7
253.21613	3.7
275.01373	1.7
279.23267	13.8
297.12091	2.7
297.15308	9.4
297.24350	100.0
298.24744	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.49527	0.2
59.01226	0.4
59.34813	0.3
68.19692	0.5
68.20012	0.4
72.99151	0.3
81.27500	0.3
81.28491	0.7
84.67638	0.3
135.16187	0.3
166.54762	0.3
183.01149	0.9
223.20679	0.4
249.22270	1.3
251.23804	38.3
252.24103	2.7
279.23224	1.3
297.15536	2.3
297.24359	100.0
298.24710	6.6
318.84576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	44.0
61.98680	2.8
63.39999	2.0
66.10911	2.2
106.04105	30.3
108.02018	5.3
112.56468	2.5
138.03084	3.2
148.11221	3.2
174.09178	14.0
174.99173	12.2
212.10754	8.3
217.00264	49.9
242.35016	3.0
254.15509	10.9
280.13403	37.5
281.13785	5.9
298.14484	100.0
298.24503	3.7
299.14847	6.4
299.18524	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.50836	0.1
59.01243	3.0
63.02266	1.1
65.00183	0.7
65.73384	0.2
67.37161	0.2
69.23572	0.3
72.84832	0.3
76.94474	0.2
78.61766	0.1
83.01245	0.7
85.91157	0.1
91.72878	0.3
91.73396	0.2
91.91168	0.1
93.03317	0.2
97.06435	0.2
101.58621	0.1
104.02544	0.4
107.01246	2.3
107.04886	0.2
108.02033	0.2
112.22370	0.1
114.03990	0.1
119.84682	0.2
125.02292	0.5
127.44614	0.1
129.50685	0.1
131.54181	0.1
132.02022	0.9
133.02824	0.6
134.03604	0.8
143.07050	1.0
148.01511	0.3
149.02307	0.4
149.99461	0.2
151.00259	3.1
152.00731	0.2
155.10670	0.9
159.00777	0.2
163.00288	0.2
169.01277	0.4
170.32901	0.1
172.05130	0.2
174.03123	0.2
174.99146	1.1
183.04430	0.6
184.05161	0.2
187.03923	0.3
188.04752	0.3
199.03955	0.7
200.04695	0.5
211.03934	0.9
211.07620	0.2
212.04640	0.3
217.00255	2.9
221.15450	0.2
227.01402	0.3
227.03468	2.9
228.04169	0.6
239.03511	0.4
255.02983	2.0
256.03766	31.3
257.04099	1.5
267.03079	0.2
280.13373	0.3
281.17667	0.5
283.02451	0.7
284.03268	100.0
285.03610	5.7
298.14502	0.4
298.92352	0.6
299.05618	68.7
299.18631	1.4
300.05954	4.2
300.09305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
50.82447	0.7
54.65612	0.8
57.03312	1.2
58.00466	1.8
59.00027	2.1
59.01242	100.0
60.01573	1.5
61.98667	0.7
71.01238	49.0
72.99166	2.6
73.02796	1.6
73.63995	1.0
75.00717	1.0
81.58671	0.9
83.01239	1.3
83.04897	1.4
85.02807	10.0
87.00724	1.4
89.02297	65.5
93.03318	4.7
95.01241	3.3
99.00735	1.3
101.02305	28.9
113.02311	22.1
119.03381	29.0
119.04881	31.7
119.05750	1.7
120.05204	1.0
121.02847	3.3
128.72192	0.9
131.03365	1.7
137.02316	6.9
137.05972	2.6
143.03383	2.7
149.04463	2.5
161.04431	2.1
174.99132	3.4
179.05536	3.6
188.32607	0.9
217.00250	13.3
284.03491	1.1
299.11499	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	299.15
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
56.99731	0.2
57.03314	1.0
59.01246	0.8
60.99155	0.2
68.91467	0.2
71.01242	0.5
72.97439	0.3
72.99167	23.5
73.00734	0.4
73.02818	1.1
73.99583	0.2
74.66058	0.2
74.98883	0.9
75.00732	68.2
75.02348	1.0
75.22660	0.3
75.35055	0.2
76.01074	0.6
83.04893	0.5
85.02811	0.2
88.15597	0.2
88.31043	0.2
93.03313	0.4
95.65166	0.1
117.01826	0.4
119.03412	0.3
121.06505	0.3
123.08038	0.6
137.02322	0.2
163.11209	0.3
172.59062	0.2
177.09119	0.3
181.12267	0.2
212.66183	0.2
241.10750	0.2
281.14053	0.4
297.40103	0.4
299.15015	100.0
300.15384	5.7
300.18878	0.2
300.90375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46714	0.1
55.26002	0.2
55.31126	0.2
57.03317	0.8
59.01241	4.1
59.29786	0.2
60.99170	0.2
61.95831	0.2
66.84370	0.2
67.89103	0.2
69.48905	0.2
71.01252	0.4
72.78159	0.2
72.97363	0.2
72.99166	22.0
73.00782	0.4
73.02810	0.7
73.99519	0.3
74.98805	0.5
75.00731	68.0
75.02403	1.2
75.22640	0.3
75.23006	0.2
76.01085	0.7
79.82633	0.2
82.86972	0.2
83.04900	0.4
85.02820	0.2
93.03336	0.5
102.05457	0.3
103.43377	0.2
111.04389	0.2
118.30055	0.2
119.03370	0.8
123.08039	0.3
132.98100	0.3
133.77473	0.2
134.06012	0.6
137.02333	0.6
151.76443	0.2
163.11139	0.5
174.99190	0.8
178.04973	0.4
179.10648	0.3
217.00272	3.8
256.59335	0.2
285.03207	0.3
297.40091	0.4
299.15012	100.0
299.28564	0.9
300.15353	5.4
300.90436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17572	0.5
57.03309	1.1
57.04951	0.5
59.01246	8.7
65.73046	0.7
71.01215	0.8
72.99167	20.9
75.00733	71.7
75.02460	1.3
78.82460	0.6
83.04895	1.2
92.99688	0.7
114.05479	2.5
116.07103	0.7
130.08571	0.9
152.10689	1.8
161.02345	0.7
174.99164	2.8
208.90469	0.7
217.00244	7.1
223.21484	0.6
227.14084	1.1
228.17210	1.5
285.03006	0.7
296.58441	0.8
299.15018	100.0
300.15387	4.8
300.18607	0.7
300.90460	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	299.1862
Annotation	Achaetolide
Peak:m/z	Relative Intensity
53.06263	0.5
53.84807	0.6
54.56206	0.5
55.06586	0.6
57.03314	3.1
57.85727	0.6
59.01241	19.2
61.07720	0.6
62.47791	0.5
69.03299	2.9
71.01233	2.1
71.04868	0.9
74.00372	0.6
75.60776	0.6
83.04858	1.6
84.02020	0.7
85.02804	11.3
95.04881	1.4
97.02785	0.8
97.06446	9.1
99.07999	2.8
108.82825	0.7
109.06417	0.9
110.03633	0.8
116.20472	0.6
121.02802	1.2
123.29008	0.6
125.05957	2.5
127.02026	0.7
127.07444	0.6
127.11185	1.8
137.09593	4.2
139.07552	1.2
139.11171	3.1
141.47412	0.7
143.07021	21.8
147.03253	0.8
149.09634	1.8
155.10675	7.5
165.09146	1.0
167.10666	0.9
174.99118	6.2
181.08629	1.8
183.10190	13.5
193.08586	0.9
201.11255	7.7
210.68735	0.8
211.09711	1.4
217.00259	20.0
219.17618	0.9
230.11507	0.9
237.09183	1.1
242.06953	0.8
250.19458	0.6
255.15892	0.8
263.16608	3.6
281.04794	0.8
281.08115	1.3
281.17502	0.9
284.36063	0.6
299.09506	2.3
299.18640	100.0
300.19016	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	299.2016
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
55.74289	0.1
59.01233	1.0
60.71071	0.1
66.95781	0.1
77.12532	0.1
114.00420	0.1
173.64900	0.1
174.99139	0.4
217.00272	1.1
239.03442	0.1
248.95326	0.1
299.20166	100.0
300.20514	6.3
300.25616	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.01928	1.3
54.21230	1.4
54.65809	1.4
57.61808	1.4
60.44014	1.3
61.69242	1.4
62.37513	1.5
70.49046	1.4
74.94367	1.4
76.67201	1.6
78.15838	1.4
78.98671	1.6
89.47495	1.6
91.73367	2.2
131.38933	1.9
136.07425	1.8
200.15097	1.9
201.80772	1.7
203.56181	1.7
232.84419	2.1
251.23885	6.7
253.25375	67.0
254.25716	2.2
284.46536	2.2
287.61621	2.8
299.25928	100.0
300.26309	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	300.1242
Annotation	N-Formylgalanthamine
Peak:m/z	Relative Intensity
51.45831	0.8
53.78271	1.0
54.23503	0.7
58.67989	0.8
59.01218	1.0
60.99170	1.4
61.86661	0.9
64.67683	0.8
77.70623	0.9
91.73170	1.2
106.04115	22.5
106.06493	1.1
108.02014	2.2
120.08048	12.8
126.90029	1.0
128.42288	1.2
130.06511	1.6
132.08058	6.3
141.52795	1.0
146.05997	16.6
148.07562	7.9
178.57367	1.1
224.10780	1.4
226.12340	13.9
238.12343	8.9
252.10162	1.2
254.11873	2.9
256.13419	15.7
270.11374	100.0
271.11661	5.4
273.87338	1.1
300.12430	82.7
301.12836	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03320	0.5
57.74683	0.5
59.01241	7.2
61.98689	1.0
71.01235	5.1
72.60956	0.5
72.99200	0.6
73.02810	1.5
75.00745	0.7
78.95757	1.3
83.01237	0.7
85.02814	2.3
89.02298	2.9
93.03316	3.3
95.01255	5.8
95.04887	0.7
96.42731	0.6
96.95883	1.1
96.96801	2.2
97.02792	0.8
98.03158	0.5
100.76324	0.7
101.02313	2.7
102.72295	0.5
108.02090	0.8
108.89823	0.5
109.02821	0.8
113.02316	2.1
114.05509	0.9
115.00213	0.6
119.03373	0.8
120.99465	0.6
121.02827	8.3
121.03758	0.9
122.02355	3.4
123.00749	100.0
124.01643	6.1
125.02371	1.5
127.00221	0.5
132.95242	0.6
137.02315	6.5
137.86552	0.5
138.03114	59.5
139.00229	2.1
139.03917	12.5
149.02347	2.3
150.03177	1.0
151.03876	2.8
151.51866	0.5
159.02943	0.9
161.02412	0.6
161.04442	4.2
163.03909	1.0
166.02638	2.0
178.02600	0.8
179.03416	0.7
181.04956	5.1
193.04961	1.9
217.79994	0.7
290.87906	0.6
301.09183	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	301.1594
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
51.16201	1.6
55.29555	1.6
55.71013	1.5
58.84398	1.5
59.01252	3.9
59.04559	1.7
75.85336	1.7
86.64959	1.8
87.89822	2.4
90.70261	1.8
96.95885	3.1
123.00758	3.5
138.03108	2.1
154.96370	2.0
158.24583	1.9
161.63397	1.9
174.99100	2.2
204.31340	1.9
216.73068	2.5
217.07248	13.2
221.12012	3.4
269.15274	2.8
271.11319	14.0
285.13501	3.9
286.13593	41.7
287.13989	3.7
287.57025	2.6
301.16086	100.0
302.16534	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1598
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
55.45290	0.6
59.01244	1.3
66.02763	0.6
77.45011	0.8
84.43923	0.6
96.95859	2.0
123.00734	1.5
135.07289	0.7
139.03812	0.7
152.93983	0.7
261.09860	1.2
286.13644	1.7
301.15979	100.0
302.16299	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.91881	0.5
60.97359	0.8
63.49360	1.3
91.72809	0.8
92.99988	0.7
123.00727	0.7
134.99268	6.8
135.17683	0.5
136.97211	3.1
139.60097	0.6
141.07182	0.6
144.17097	0.6
154.85165	0.5
159.08330	1.8
161.06293	6.6
201.04097	1.2
203.05663	3.0
205.03557	1.3
215.05463	1.0
217.07167	81.6
218.07292	4.6
243.19579	0.7
283.12106	0.6
285.13486	37.3
286.13763	2.3
301.16614	100.0
302.16785	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.181
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
53.43768	1.2
57.03305	2.1
59.01232	3.9
61.98688	2.2
69.03306	2.7
70.65739	1.1
73.43090	1.1
80.39403	1.2
95.01266	1.9
95.04877	5.2
97.02807	9.6
106.04003	1.3
108.02026	2.7
109.02808	8.9
109.06435	1.3
111.00761	1.9
121.02791	2.9
122.03603	23.8
123.00742	6.2
123.04391	12.1
133.10135	1.4
135.04399	5.1
135.08038	2.2
137.02383	1.7
138.03162	2.6
142.60388	1.6
147.07993	2.5
147.11688	27.2
161.09581	5.1
177.09128	2.4
177.12302	1.4
185.09607	3.1
188.08327	1.6
189.09096	7.4
192.60953	1.3
199.81830	1.4
203.10713	33.1
204.11288	2.0
231.10225	5.6
232.53212	1.5
257.19168	3.2
283.17111	10.6
301.18097	100.0
301.23837	4.5
302.18448	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	301.202
Annotation	Emedastine
Peak:m/z	Relative Intensity
59.01233	2.9
61.98691	1.1
66.66158	0.6
71.01256	0.7
71.04877	4.2
78.95740	1.6
85.91384	0.7
91.72736	0.6
91.73307	0.7
100.05196	1.1
116.50938	0.7
123.00755	3.1
138.03113	2.0
139.03873	1.2
153.12787	0.8
155.14328	5.3
183.13808	15.8
201.02596	0.9
212.14091	0.8
219.00743	0.9
225.18629	2.8
253.17834	0.9
255.19698	8.2
301.20218	100.0
302.20691	4.5
319.24762	0.7
319.72455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.9
71.01198	0.7
79.35845	0.8
79.95554	1.0
88.96189	0.9
91.37421	0.7
96.64664	0.7
96.95874	1.1
101.18878	0.7
104.27195	0.7
108.95527	0.8
112.59248	0.7
184.56488	0.9
213.16972	0.8
261.09793	1.2
284.43420	0.9
301.21750	100.0
302.21985	7.2
309.18979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2173
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
50.09200	1.3
59.01236	14.8
66.79302	1.3
71.66887	1.1
73.84285	1.1
78.10621	1.4
83.04901	1.8
95.76199	1.2
107.47112	1.1
113.72259	1.3
121.10118	1.9
128.58147	1.4
148.05710	1.5
149.13278	1.4
169.77948	1.6
189.05936	1.4
203.18002	8.1
257.22772	37.2
258.23187	3.6
271.20642	1.8
283.20596	2.3
301.21747	100.0
302.22122	7.1
320.49982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42596	0.5
59.01234	1.3
61.32715	0.5
70.39851	0.4
96.34326	0.6
105.19661	0.5
123.00742	0.8
138.03070	0.9
157.75841	0.5
207.18550	0.6
214.26616	0.5
239.45578	0.7
257.22705	1.4
277.91867	0.6
291.73767	0.5
301.21753	100.0
302.22089	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	303.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06593	1.1
52.16678	1.4
55.49863	1.5
57.96845	1.4
59.01239	7.7
60.05078	1.3
63.02266	2.1
65.00203	5.9
68.79610	1.4
68.99689	1.7
69.03317	1.8
70.92973	1.4
79.01767	4.2
81.03359	3.1
83.04897	2.1
91.73289	1.7
92.99700	3.8
93.03330	4.0
94.00502	2.0
95.01228	9.7
97.02865	2.6
101.05966	1.4
106.00520	2.5
106.31813	1.5
107.01270	4.2
108.02052	4.0
109.02849	4.8
109.66940	1.5
110.02457	1.4
111.00780	2.4
123.00806	5.1
124.01561	2.6
125.02381	5.9
130.08669	5.0
130.99789	1.9
135.00720	1.8
136.01541	2.7
137.02338	4.1
148.04018	1.7
151.00302	6.6
153.01868	6.1
165.01872	3.9
166.18663	1.8
167.03409	3.5
169.01460	1.6
178.99838	2.0
180.00551	63.5
181.01349	7.3
183.02960	3.5
187.10918	3.7
195.03127	2.0
199.02473	4.1
208.00084	51.7
209.00841	3.6
211.02399	16.1
239.01947	38.9
239.04263	2.8
243.06400	2.0
267.01459	100.0
268.01959	5.0
285.02527	65.7
303.03790	9.4
303.14804	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	303.051
Annotation	1,3,7-Trihydroxy-5,6-dimethoxyxanthone
Peak:m/z	Relative Intensity
51.19923	1.1
59.01231	5.2
67.01424	2.2
67.01750	28.9
68.99676	7.7
77.28699	1.1
85.85619	1.2
85.89200	1.1
87.00712	1.5
93.03284	2.0
96.39904	1.2
106.04103	3.4
108.02035	10.3
109.02785	1.8
111.39437	1.0
119.04907	3.2
121.02829	4.6
130.04120	12.6
131.04900	2.6
143.04916	28.8
143.08582	2.2
145.06470	53.1
146.06799	2.2
147.04401	13.7
156.05692	3.8
157.06491	3.0
158.03638	3.4
159.08064	7.7
169.06497	14.3
171.04419	51.3
171.08060	17.4
172.05165	9.6
173.05988	34.1
174.06325	1.4
181.29993	1.3
185.06004	4.4
187.07568	64.3
188.07945	4.0
197.05949	4.1
200.04674	2.0
202.69464	1.3
213.05573	1.8
215.07088	87.9
216.07373	3.5
241.05054	17.0
243.06189	2.5
259.06097	23.0
269.04498	1.3
303.05115	100.0
304.05289	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.6
57.03318	6.6
59.00003	1.2
59.01242	55.2
61.98688	1.5
69.03306	2.5
71.01239	100.0
71.02696	1.6
72.99168	3.3
73.02805	43.5
75.00739	3.9
78.95770	2.0
81.03298	2.5
83.01244	18.3
84.16425	1.2
85.02808	49.0
85.99964	2.0
87.00732	4.2
89.02296	8.7
95.01257	8.7
96.96822	2.7
97.02792	10.3
99.00732	15.8
100.99592	1.5
101.02302	80.3
111.00723	2.3
111.04424	1.5
113.02306	46.1
115.03814	1.7
122.02345	3.6
123.02636	1.6
129.01804	2.3
130.08638	1.6
141.01816	6.3
143.03380	4.4
159.02887	12.1
161.04460	32.7
182.04404	1.1
215.07185	1.4
259.08258	4.1
291.62445	1.7
303.07220	46.6
304.07687	2.7
309.52756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2178
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
53.76459	0.5
59.01229	1.9
71.04882	5.9
80.27277	0.6
83.59502	0.6
85.06402	0.6
87.41977	0.5
101.05943	9.1
102.41817	0.6
111.01863	1.1
119.54627	0.6
122.06971	0.7
144.86919	0.7
155.08165	1.2
155.14313	5.1
167.14334	1.2
168.08980	0.7
177.91057	0.7
183.13835	11.5
185.15477	0.9
212.14180	0.7
213.14864	4.5
221.19096	0.7
225.18619	1.2
227.20224	0.7
246.82893	0.6
255.19641	11.8
257.21136	4.3
303.21786	100.0
304.22205	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	303.233
Annotation	omega-3 Arachidonic Acid
Peak:m/z	Relative Intensity
52.73964	0.4
59.00977	0.9
59.01244	10.5
69.41019	0.5
71.01247	1.0
91.73328	1.2
108.38805	0.5
137.97269	0.5
142.87601	0.6
160.84109	2.6
177.09036	0.7
177.16418	0.7
205.19565	2.1
206.17279	0.6
231.21089	1.0
259.24368	9.9
285.22195	1.0
296.93356	0.6
303.23306	100.0
304.23672	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
58.26925	0.6
58.33537	0.4
59.01230	0.4
75.06675	0.4
80.45913	0.4
103.91905	0.4
110.64304	0.4
142.87451	0.5
160.84105	2.5
303.23303	100.0
304.23627	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	303.2331
Annotation	CHEBI:69179
Peak:m/z	Relative Intensity
51.83603	4.7
57.03332	6.4
58.02853	11.3
59.01247	11.5
61.72700	4.4
61.98693	5.1
71.01252	16.1
72.02038	19.9
73.02808	28.9
83.04874	5.9
87.04374	100.0
87.04879	8.2
96.89187	5.4
100.72713	5.1
109.06489	10.7
110.99302	5.1
139.07523	10.0
149.13205	33.1
153.09161	8.5
163.14861	23.1
168.13806	33.0
182.98140	5.3
203.18141	15.7
231.21082	9.8
243.31676	6.9
259.20624	28.1
267.21268	8.8
271.89890	6.8
285.22351	26.2
303.20013	10.4
303.23328	76.6
320.94116	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42496	0.4
52.16898	0.4
58.01770	0.7
58.02841	41.2
58.04028	0.8
168.13838	100.0
169.14217	3.3
212.12880	1.8
240.24022	0.5
304.19101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32615	0.4
55.31694	0.6
58.02597	0.7
58.02837	7.3
59.01245	2.7
79.28796	0.5
86.03921	0.5
86.05966	33.1
87.06296	0.6
100.34000	0.5
119.74967	0.5
130.04990	0.6
141.01561	1.4
143.81332	0.5
160.84082	1.4
168.13835	19.3
210.02534	0.6
262.21780	1.3
304.22821	100.0
305.23187	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	305.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21400	1.4
55.10762	1.4
55.12057	1.6
56.90138	1.4
57.03080	1.8
57.03321	14.1
59.01247	8.8
60.00758	9.2
71.01233	2.2
75.98141	1.5
83.01202	1.9
83.04863	2.7
91.05394	2.9
93.90660	1.9
95.03609	2.1
100.03902	79.1
107.04890	2.9
108.04406	8.6
109.02817	7.0
110.02345	28.6
110.05976	2.5
116.04935	3.1
119.04903	2.1
121.45454	1.7
123.04358	3.1
125.05943	8.6
126.05515	2.5
132.08093	4.4
133.02730	2.7
133.05019	1.8
134.05992	60.7
134.07010	3.3
135.04408	2.2
136.03925	100.0
137.04745	12.0
138.05550	2.5
145.05182	3.0
150.05496	28.6
150.58665	1.9
152.03418	82.3
152.07028	9.5
153.04196	12.5
154.05043	2.4
160.07571	30.6
162.05495	3.5
163.03856	3.4
168.06567	21.4
176.10732	5.1
185.06018	2.4
186.05507	10.7
187.06264	4.9
188.07120	2.1
200.07164	2.8
200.10822	4.4
201.07880	63.8
202.08632	10.4
204.06572	17.9
211.06294	5.4
212.03752	1.9
218.11826	29.4
219.12140	1.9
226.08702	21.9
229.07402	4.1
232.58145	2.3
236.06810	2.1
244.09767	52.4
245.09557	3.1
253.51547	2.0
261.07434	2.6
261.12451	9.8
262.11002	2.7
287.10336	10.3
305.11353	18.2
305.16544	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	305.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70148	0.2
57.03309	0.3
59.01244	5.3
67.54841	0.3
71.01249	2.6
73.02799	0.6
77.87943	0.2
83.01241	0.8
83.04891	0.3
85.00658	0.3
85.02797	1.2
87.00735	0.3
89.02300	2.4
94.02836	0.3
95.04863	1.1
96.04403	0.3
99.00734	0.5
101.02303	2.7
108.04417	3.1
109.06429	0.9
110.02356	0.4
110.05968	1.1
113.02299	1.3
119.03381	0.7
120.04459	0.3
122.03593	0.4
124.03898	1.1
136.03912	3.7
137.04692	3.2
137.05960	2.6
138.01857	0.6
138.05486	2.2
139.02628	0.4
143.03340	0.4
150.05498	9.4
151.02646	3.9
152.03342	0.8
152.07062	23.6
153.04225	0.5
153.07368	0.7
154.04956	0.7
161.04478	0.4
162.05504	0.5
165.04228	9.6
166.04649	0.4
168.02890	0.5
179.05679	0.7
180.00128	1.0
180.06577	100.0
181.06912	3.7
202.08719	0.4
226.08716	0.6
229.07352	0.7
244.09763	1.9
245.09196	0.5
254.07066	0.3
261.13248	0.7
269.09235	0.8
270.07693	0.5
287.10397	5.1
288.10757	0.5
305.12250	3.8
305.15884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	3.3
58.02837	4.2
59.01240	100.0
59.02436	2.6
59.47826	2.7
61.98730	3.0
65.26233	2.4
68.10159	2.3
71.01238	32.3
72.99185	2.8
73.02806	3.7
74.02324	5.5
81.06953	23.9
82.02863	2.6
83.01222	4.1
83.49058	3.0
85.02809	12.1
87.00754	5.1
89.02303	46.8
93.03279	3.4
99.05476	6.7
101.02306	27.4
113.02319	17.3
119.03371	15.2
125.02319	9.7
125.05984	6.0
128.03439	16.5
143.03476	5.4
143.04517	19.2
147.55884	2.8
151.13670	2.8
160.00737	2.8
210.08849	4.8
254.07887	4.9
272.09000	5.9
305.09225	6.1
305.12476	58.1
305.16022	4.7
306.07678	9.7
317.89905	3.3
321.40671	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	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.18282	1.8
58.02839	7.6
59.00971	2.4
59.01245	30.6
69.03322	2.2
69.20863	2.0
71.04875	14.7
73.02805	6.9
83.04895	2.3
97.06436	5.1
99.04374	100.0
100.85847	1.9
107.08516	2.2
109.06465	3.4
119.01886	2.3
121.06422	3.9
121.10059	2.2
122.03619	2.3
123.08016	22.9
125.05942	12.0
133.10022	2.2
136.05167	4.3
137.09489	2.3
141.01579	17.1
149.09616	10.7
161.09479	2.4
161.13202	3.0
163.21968	2.6
164.08257	2.1
168.13799	14.0
169.14171	9.5
175.11150	3.1
177.16382	2.3
189.12808	2.9
193.12323	5.1
195.13869	3.1
205.12338	4.9
219.13817	11.2
221.09349	2.4
243.17511	50.8
244.17963	2.2
249.14972	6.2
261.18613	7.4
269.15555	6.8
287.16531	79.3
288.16971	3.5
305.17596	79.7
306.17834	5.9
328.00354	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04679	0.4
53.74183	0.3
54.81775	1.1
55.11858	0.4
57.03312	0.9
59.01245	3.3
60.36014	0.4
66.38995	0.9
69.21947	0.4
70.47347	0.5
77.10313	0.4
80.02530	6.7
80.66565	0.4
81.03299	1.3
83.04875	2.1
91.72926	0.7
93.03301	1.2
95.04871	1.4
95.83128	0.5
106.04101	1.0
107.04893	0.8
108.02009	0.8
109.06477	0.8
119.04832	0.7
123.08048	0.7
141.01576	1.8
146.86563	0.5
148.08832	2.1
149.05936	0.5
149.09618	1.9
151.11208	1.0
162.10397	0.7
163.11198	9.9
165.07028	0.6
165.12747	43.7
166.13094	1.4
170.88373	0.6
175.11124	0.6
177.12773	2.8
178.09903	5.1
179.10721	0.5
190.10085	0.6
201.44081	0.5
205.15894	4.4
206.09477	0.5
215.18082	0.7
217.16017	0.6
231.17551	4.3
233.19077	40.4
234.19405	1.8
243.17528	1.9
261.18600	18.6
262.19086	1.4
277.18207	2.7
289.06625	0.5
305.17590	100.0
306.17905	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2487
Annotation	Crinitol
Peak:m/z	Relative Intensity
56.60617	3.8
57.03323	9.0
59.01242	56.4
62.74754	4.2
71.01244	15.4
72.02026	21.2
73.02810	18.6
78.06720	4.4
78.95778	6.8
87.04369	100.0
93.22876	4.8
97.06474	5.5
109.06464	6.0
139.07556	13.0
141.01595	39.3
153.09116	13.4
161.64836	5.6
167.14386	5.1
205.19643	13.0
233.22482	6.5
261.22284	38.4
287.23914	22.2
293.70065	4.9
305.13943	17.2
305.21564	12.5
305.24939	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
54.96012	0.2
56.06113	0.2
58.40813	0.2
59.01242	3.1
63.77168	0.2
71.01223	0.3
83.00840	0.2
102.07209	0.2
113.05928	0.4
114.76496	0.2
140.37856	0.3
141.01573	1.6
141.09010	0.4
149.71408	0.2
152.74673	0.3
172.24480	0.2
241.36766	0.3
251.34035	0.2
252.93086	0.2
261.25995	0.3
278.12000	0.2
287.23889	0.4
304.23660	0.6
305.24875	100.0
306.25208	6.5
320.27322	0.3
320.71094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.46342	0.8
53.79367	0.8
57.43214	0.8
58.02844	12.9
59.01227	1.2
61.98692	19.0
70.02836	1.7
71.01237	1.2
71.94148	1.0
72.00748	1.5
74.02332	26.3
81.04434	1.1
82.02846	3.8
84.04399	3.0
84.51637	1.0
85.03919	1.0
86.02321	9.7
86.05991	2.7
86.98965	2.4
87.05493	9.7
90.00043	3.7
95.06046	1.1
97.03943	3.4
98.05921	1.0
99.05502	27.9
101.07079	4.4
102.05462	2.8
107.06059	1.2
109.03922	4.5
111.01871	1.3
111.05516	1.8
112.03928	5.0
116.01657	1.8
120.01099	1.0
123.05517	3.6
124.03894	1.8
125.03450	2.5
126.01860	1.1
127.03984	1.1
127.05008	5.2
127.99641	1.1
128.03407	68.5
129.03737	1.4
131.04500	1.7
135.05516	6.3
137.07095	2.5
141.06593	6.7
143.04509	100.0
144.04861	2.9
145.06081	5.7
146.04477	10.4
153.06560	5.8
160.00642	22.1
166.09727	3.4
167.04504	6.0
167.08142	2.8
170.93787	1.1
171.07652	2.0
177.03287	9.2
179.04530	19.1
181.06120	3.0
184.10840	1.9
185.05603	3.6
192.07625	1.4
194.33194	1.0
197.05597	4.1
198.08850	2.4
210.08803	21.8
210.10811	1.1
228.09883	2.3
242.07912	4.5
254.07845	27.4
272.08914	35.1
273.09238	1.5
288.06638	6.7
306.07687	47.5
307.07944	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02840	10.4
59.01248	26.4
60.63290	1.8
61.98697	3.9
66.03391	2.2
68.04878	1.9
71.01241	10.6
74.02328	25.3
76.97900	2.6
82.02879	2.0
85.02825	4.6
86.02364	9.5
86.06024	3.0
87.05489	11.5
89.02335	9.0
90.00076	5.1
99.05500	22.3
101.02310	5.2
101.07035	2.8
102.05518	2.5
104.45309	1.9
107.06005	2.9
109.03967	4.6
109.07619	2.0
111.05505	2.4
112.03919	3.6
113.02345	3.3
119.03403	3.9
126.01846	2.2
127.03946	1.8
127.05029	3.7
127.07655	2.6
128.03410	63.1
131.04520	2.4
135.05490	4.1
137.07155	2.5
139.26105	1.8
141.06599	5.2
143.04512	100.0
144.87140	3.0
146.04544	7.9
153.06613	5.0
160.00635	23.1
162.83905	2.6
163.61255	2.0
166.09737	2.8
167.04628	7.7
170.03181	2.2
177.03398	7.2
179.04515	17.5
184.10796	2.8
185.05664	5.1
197.05643	3.3
198.08850	4.3
210.08806	21.3
242.07974	5.5
254.07809	24.5
272.08908	38.0
288.06805	6.7
306.07675	44.6
306.10840	3.2
307.08127	2.8
307.13992	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	306.2076
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.38414	0.4
53.55941	0.4
58.02837	0.9
59.01230	0.6
61.98688	0.8
62.52809	0.4
70.03966	0.4
71.64782	0.4
142.58000	0.4
159.77541	0.5
169.14018	0.5
170.15408	100.0
171.15782	3.1
207.01512	0.5
214.14464	3.7
224.97681	0.5
234.30913	0.5
237.11360	3.0
289.18048	0.9
306.17438	1.2
306.20807	0.7
307.19174	5.8
328.10599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01240	4.5
67.01758	0.5
68.99664	1.2
69.03318	2.8
71.01250	4.4
71.04893	0.5
73.02808	0.8
79.05385	0.7
81.03321	3.8
83.01220	3.0
83.04882	7.8
84.34334	0.5
85.02808	12.4
87.00750	1.0
89.02306	0.7
91.05371	0.9
91.73397	0.7
93.03320	6.3
95.01256	3.1
95.04871	2.0
97.02808	4.3
97.06401	2.7
99.00755	1.8
99.04384	2.6
101.02332	0.8
107.02511	0.8
107.04898	6.5
107.98811	1.1
108.02032	100.0
109.02826	62.7
109.05754	0.8
109.06434	1.2
110.03146	1.7
110.92982	0.6
111.04380	7.5
113.02355	1.0
113.05943	2.3
119.04896	5.4
121.02828	18.9
121.06397	0.5
122.03663	3.2
123.00753	1.3
123.04387	19.9
124.01561	4.2
124.04741	0.8
125.02332	3.3
125.05965	10.4
128.03394	2.0
130.04100	0.7
131.04828	0.7
133.06464	1.0
134.03627	1.4
135.04398	21.1
137.02286	3.0
137.05957	0.7
138.03094	1.0
139.03886	3.8
141.05458	2.6
145.02914	0.7
145.06458	1.5
146.03569	0.6
147.04411	3.2
149.02356	0.8
149.05969	1.5
151.03911	6.6
153.01872	1.2
153.05464	19.8
157.06509	1.3
158.03636	0.9
159.04387	5.2
159.40593	0.5
160.05127	2.1
161.05995	3.7
163.03897	1.0
163.29355	0.6
165.05458	0.7
167.03432	5.2
168.04207	1.6
169.04924	1.1
171.02884	2.0
173.06007	4.3
175.07561	6.2
177.05522	3.2
181.06512	1.1
183.02953	0.7
183.08121	0.7
185.05974	1.7
187.03911	1.3
189.05489	0.9
191.07053	2.5
199.07555	2.2
201.05481	2.0
202.06320	0.9
203.07063	3.1
209.06091	0.9
217.08650	2.8
219.06566	1.0
227.07108	7.9
245.08185	12.2
246.08733	0.8
255.55687	0.6
263.09183	2.0
274.08569	2.7
289.07132	2.3
307.08231	6.8
307.13898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.3
59.01244	7.3
63.29243	1.9
66.27165	1.7
71.01254	2.8
72.00762	3.4
72.04409	19.9
79.71738	2.2
87.05504	11.7
88.03888	14.6
91.05379	12.6
91.73404	4.3
97.03944	5.6
98.86819	2.2
99.05505	5.6
100.03894	100.0
109.03929	2.8
114.01841	3.4
115.04996	87.7
117.75761	2.0
118.06516	3.6
119.04915	2.3
128.03453	2.8
141.03151	2.3
142.45306	2.7
144.02910	51.7
147.04330	4.0
165.05278	2.7
176.07062	15.4
190.05075	6.7
201.10281	9.1
219.11485	2.5
220.06071	4.0
235.10841	49.6
245.09293	23.6
255.28308	3.3
255.96356	3.0
261.08722	5.7
263.10440	14.9
289.08310	4.5
292.07739	2.7
307.09531	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88882	0.5
57.97264	0.5
59.01222	1.4
61.98683	0.6
62.63101	0.6
63.41671	1.1
63.41965	0.7
65.92501	0.5
71.01241	0.8
74.98933	3.9
81.94943	0.5
91.02065	2.3
92.99981	4.2
117.03617	0.5
121.02797	0.7
130.47008	0.6
135.46396	0.6
149.00853	3.2
159.08342	7.6
161.06270	1.8
175.11719	0.6
205.75346	0.7
206.99681	1.2
209.01254	2.8
217.07147	1.2
219.38617	0.6
223.02794	46.1
224.02884	2.6
225.00720	0.7
241.03873	2.0
241.06142	0.6
271.93530	0.6
289.07510	2.1
291.09106	100.0
292.09250	7.5
307.12222	2.6
307.19226	2.0
307.22763	3.0
309.10242	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	1.8
59.00029	1.6
59.01241	100.0
59.02339	1.6
59.41945	1.6
60.01537	1.5
60.08472	1.4
71.01238	40.9
72.99162	2.9
73.02785	3.4
85.02808	9.0
87.00719	3.5
89.02296	68.2
95.01254	3.6
101.02296	32.0
107.17562	1.9
113.02303	18.1
119.03358	29.7
127.07524	37.8
128.03403	18.9
131.03429	2.6
135.04359	2.2
143.03342	3.4
143.04407	2.6
153.76678	1.7
161.04440	3.5
179.05550	7.0
231.50009	2.3
256.80588	2.2
307.13965	13.7
308.11356	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	307.1917
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03300	6.0
59.01241	12.1
59.48368	3.3
59.88686	3.7
61.98661	4.1
71.01241	7.5
72.99156	11.2
75.00751	6.6
75.32331	4.3
80.02528	5.0
81.03291	6.3
83.01234	8.5
83.04855	5.8
88.62066	5.0
92.39989	4.1
97.02825	9.8
97.06442	15.0
101.31495	4.9
117.56519	4.4
121.02772	4.5
123.04401	15.5
123.08041	5.8
125.09612	25.7
135.08064	6.6
137.09610	14.4
149.05974	7.7
163.11179	26.7
165.12787	5.8
167.27962	4.7
181.12326	7.5
183.87746	5.3
185.11751	25.6
187.74290	5.4
191.14355	23.0
201.69653	4.5
207.10242	14.6
209.11769	70.6
210.12082	6.5
225.11378	12.9
233.15527	11.7
245.19154	60.0
246.19685	5.3
247.17207	6.6
289.18143	100.0
290.18414	8.8
307.19214	79.7
307.22684	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.13734	0.9
55.01732	0.8
56.01538	0.8
57.03318	1.4
59.01250	7.6
59.65335	0.9
61.91426	0.9
71.01235	1.3
71.04877	6.2
73.02814	3.8
74.49470	1.2
80.19906	0.9
83.04888	1.2
85.06460	1.1
87.04372	2.8
91.72753	1.3
97.06464	1.9
99.04372	19.4
101.05955	4.2
109.06455	2.5
112.05175	2.3
113.76525	1.1
121.06485	1.2
123.08033	11.5
127.07431	1.1
138.06723	1.9
141.98108	0.9
151.11263	1.6
195.13861	4.6
207.13852	6.7
221.15427	27.3
222.15948	1.4
223.16951	1.2
233.15443	3.1
245.19081	8.5
251.16501	5.2
263.20187	2.1
271.17044	4.0
279.19604	1.6
289.18106	80.7
290.18475	6.2
307.19171	100.0
308.19485	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.91034	1.3
59.01234	7.2
61.98702	2.0
71.01239	2.4
74.19191	1.5
83.04885	7.2
96.95866	5.3
103.03911	1.6
128.03395	7.1
130.61243	1.7
136.06746	2.0
150.09023	1.5
151.11278	1.8
165.12785	6.0
175.82617	1.8
192.60745	1.8
205.15892	19.0
243.17578	2.1
261.18646	25.1
307.16052	3.5
307.19153	100.0
308.19495	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.98708	0.2
54.28331	0.2
59.01244	0.5
70.22959	0.2
71.01263	0.2
74.55729	0.2
74.98302	0.2
97.58653	0.2
128.03421	0.8
164.83522	0.4
209.44983	0.2
226.44048	0.2
243.47569	0.2
307.22803	100.0
308.23123	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	307.2644
Annotation	2beta,15-Dihydroxylabd-7-ene
Peak:m/z	Relative Intensity
55.63055	3.3
56.09341	3.3
57.03325	10.1
59.01257	14.6
63.00314	3.2
67.01293	4.0
71.01231	25.5
72.02021	20.6
73.02817	17.0
74.99883	3.8
76.07386	4.0
87.04369	88.1
87.04855	6.5
91.72750	10.4
91.73326	8.3
94.75462	3.8
99.04391	4.2
107.45214	3.6
128.03464	16.0
134.97940	4.7
139.07553	11.1
153.09056	4.6
155.14336	15.2
169.15950	10.2
212.23108	4.5
225.02739	4.5
263.23810	66.9
264.24335	6.6
271.24628	6.0
272.29800	4.4
274.52692	4.1
277.25388	17.3
289.25433	25.0
305.24994	8.2
307.26407	100.0
308.26920	5.2
313.44223	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98145	0.5
57.97427	25.2
57.98599	0.5
58.04981	0.4
59.01232	2.1
63.99651	0.4
65.01298	0.5
67.02870	4.5
72.71109	0.4
79.85472	0.4
80.72156	0.6
88.20359	0.4
91.02875	1.4
96.50085	0.5
102.05469	1.6
103.83300	0.4
107.06005	1.0
108.05535	100.0
108.08476	0.9
109.03932	1.3
109.05876	1.2
113.02327	0.4
120.03113	0.4
121.81304	0.7
126.00048	1.2
128.03438	0.8
130.53244	0.6
133.05077	40.3
134.05414	0.6
134.13718	0.5
135.33215	0.5
136.07544	1.4
146.04460	1.4
152.04547	93.4
152.09491	1.0
153.04848	1.6
176.08232	1.1
176.82838	0.5
177.04092	8.6
192.04025	0.8
205.05479	1.6
220.07298	0.9
234.09036	0.5
247.06279	0.5
250.08278	4.1
253.70679	0.5
269.04565	1.0
297.04074	0.5
309.06677	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88879	0.5
54.17233	0.5
57.97432	1.8
58.99471	2.6
59.01245	11.1
70.99064	0.7
70.99463	14.2
72.96606	0.5
73.22480	0.5
74.98950	3.9
82.80880	0.6
87.00742	1.4
87.99339	0.7
91.02872	2.6
96.95879	1.8
97.99194	0.7
99.02601	1.9
108.05538	5.0
113.04151	0.7
118.79501	0.6
125.01708	0.7
133.00728	1.1
133.05080	100.0
134.05455	1.4
135.98245	0.6
136.99010	3.9
139.01920	0.7
140.02765	2.2
158.20120	0.7
165.02310	0.8
176.02850	1.2
183.03131	0.6
185.08229	1.7
186.19217	0.6
205.05478	65.5
206.05693	2.1
217.05482	2.6
218.06247	2.5
227.14113	0.9
247.06567	30.8
248.06758	1.2
249.04597	1.1
291.05563	2.5
308.96716	0.7
309.06894	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	309.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01884	0.4
55.01303	0.3
59.01241	1.2
61.61026	0.3
61.98705	0.3
63.26939	0.3
73.47717	0.4
78.39587	0.4
85.02822	0.7
85.32444	0.3
92.92730	0.4
96.95876	1.0
104.25862	0.3
112.02942	0.3
117.55424	0.4
125.01018	0.3
129.01801	0.7
131.24911	0.3
140.48172	0.3
148.05183	73.8
148.09808	0.9
149.05524	2.1
151.03876	0.4
152.08310	0.7
165.05472	1.3
179.01627	9.6
180.04195	100.0
180.10390	1.1
181.04555	2.9
182.04608	0.5
196.01944	0.7
197.02654	1.0
209.15381	1.3
223.63612	0.7
234.83435	0.4
250.26929	0.3
257.15363	0.7
309.15060	7.7
309.20837	0.6
312.58664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90371	0.5
56.38068	0.5
57.03322	0.8
59.01228	2.3
68.89616	0.5
69.03312	0.6
69.36758	0.5
71.01239	0.5
72.99121	0.5
72.99541	0.5
74.99868	1.1
75.00224	0.6
79.21381	0.6
83.04845	0.5
87.27936	0.5
91.72742	0.6
96.95894	0.7
97.06467	0.5
109.06446	0.8
111.08026	2.6
111.93937	0.5
123.07999	0.6
125.09597	1.5
127.11152	1.9
129.09085	0.7
131.96478	0.6
149.09569	0.7
151.03870	1.2
151.07480	0.8
151.11156	1.6
151.60127	0.6
152.08290	2.1
153.09033	0.6
153.12721	5.7
155.10640	1.2
167.10678	1.4
169.12250	1.4
174.74599	0.5
179.10709	0.9
179.14320	2.6
181.12227	4.8
193.15930	1.2
197.11745	3.6
199.13351	1.6
207.13762	3.1
209.15388	2.2
215.12840	2.4
226.12030	1.1
227.12787	1.1
228.13580	1.4
247.20631	5.8
263.19913	1.2
265.18015	0.7
265.21677	1.0
273.18674	3.2
281.21259	2.0
291.06787	0.6
291.19681	44.6
292.20084	2.8
309.17496	3.8
309.20724	100.0
310.21057	5.7
328.92560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97158	0.3
59.01239	0.6
60.99177	0.5
70.88349	0.3
72.97460	0.6
72.99167	40.6
73.00703	0.7
73.02820	1.6
73.99507	0.3
74.98961	0.4
75.00732	29.0
75.02342	0.4
104.82928	0.3
126.75269	0.3
128.35265	0.3
138.33678	0.3
148.05182	5.9
151.07564	0.5
152.08340	0.7
171.10245	0.5
179.01698	0.6
180.04179	6.9
183.01118	0.4
184.33833	0.3
190.85516	0.4
209.11714	0.3
209.15440	1.0
245.19011	0.4
265.21716	2.0
276.12238	0.9
291.19696	1.3
291.24637	0.5
309.15680	3.1
309.20734	100.0
310.15686	0.4
310.21075	6.2
330.61731	0.3
334.13632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03305	0.8
59.01245	2.7
71.01242	0.8
74.99844	1.2
95.04901	0.7
97.02806	0.6
97.06432	1.9
98.03564	0.6
111.07962	0.6
113.09574	2.8
115.07510	1.7
123.65468	0.5
125.05975	1.3
125.11480	0.5
126.06718	1.7
129.01787	1.5
129.03752	0.6
139.11179	0.8
141.09096	1.6
151.03906	1.2
151.07518	1.1
152.08308	1.7
165.12726	3.7
167.14279	2.1
175.11174	0.7
179.14305	0.6
181.12241	4.5
183.13834	1.0
193.12277	1.5
193.15869	0.6
195.13872	1.9
209.15393	2.3
211.13335	4.0
213.15021	0.6
221.15396	2.4
229.14520	1.2
240.13620	3.0
241.14503	0.7
247.20612	4.0
263.20071	1.1
273.18649	3.3
281.21225	1.7
291.19675	49.1
292.20078	3.0
309.20715	100.0
310.21045	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	13(S)-HpOTrE
Peak:m/z	Relative Intensity
53.32636	0.5
56.63692	0.5
59.01249	2.2
61.98668	0.7
72.99164	43.6
73.02798	1.2
75.00732	31.2
75.02414	0.6
79.33492	0.7
96.95907	0.9
100.62463	0.6
105.83871	0.7
109.55163	0.6
129.01854	1.1
143.57045	0.7
151.03839	0.8
151.07501	1.1
152.08369	1.6
204.05092	0.7
209.15410	2.0
246.24849	0.6
276.12436	1.3
291.24805	0.9
309.20721	100.0
310.21063	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	309.2073
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03323	0.7
58.95428	0.7
59.01233	2.1
59.73991	0.6
60.13630	0.7
71.01244	0.7
73.52774	0.6
74.99870	0.8
83.04882	1.0
92.92625	1.1
96.95873	1.0
97.06498	0.9
99.00714	0.9
103.04630	0.7
103.15192	0.7
103.94547	0.7
114.04917	0.7
151.03864	1.1
152.08293	1.5
167.10689	0.9
168.91397	1.0
179.14345	1.3
200.22649	0.7
209.15419	2.8
247.20688	7.3
263.20081	1.2
265.18713	1.3
265.21725	20.3
266.22052	1.3
291.02902	0.9
291.19672	26.3
292.20059	1.4
309.14636	4.3
309.17276	5.1
309.20697	100.0
310.21039	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98555	0.7
56.87650	0.7
57.03292	1.1
59.01229	2.5
60.31161	0.7
69.03310	1.4
69.48098	1.4
69.48421	0.9
71.04870	2.9
81.25707	1.0
83.04876	1.2
87.04337	1.6
94.79964	1.0
97.06441	2.8
98.51441	0.8
111.07954	0.8
195.13809	9.6
207.00368	0.9
207.13860	3.4
207.17447	5.1
209.15401	1.6
221.15422	4.7
223.16978	24.7
226.62860	1.1
233.15431	13.6
235.17018	1.2
251.16516	100.0
252.16920	5.1
252.19226	1.0
273.18594	2.5
291.19672	11.2
292.19672	1.0
309.20737	79.6
310.21039	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03313	0.8
58.00460	1.0
59.01236	2.8
60.94413	1.0
62.89177	0.5
69.03310	1.4
71.01250	0.8
71.04900	1.0
73.02803	0.9
78.25158	0.5
83.04903	1.2
83.41893	0.5
93.06955	0.9
96.95957	0.7
97.06459	1.2
99.00754	1.1
99.04386	0.6
109.06454	1.5
111.08019	32.9
112.08351	0.8
114.80408	0.6
127.07514	1.6
130.01709	0.6
134.66426	0.5
136.52834	0.6
151.03920	2.0
151.07521	2.0
151.11182	1.0
152.08321	4.6
153.09050	1.2
153.12744	1.7
165.12837	0.7
167.10599	0.6
169.12216	8.1
173.42534	0.6
174.62587	0.6
179.10629	0.8
181.12262	2.2
183.13777	0.8
191.77588	0.5
195.13853	0.7
197.11763	100.0
198.12091	2.9
199.13339	3.6
204.44411	0.6
206.79984	0.7
209.15427	10.4
211.13354	8.7
223.17014	3.1
225.14943	0.9
227.12851	3.2
229.19646	0.8
233.15427	2.4
247.20694	1.1
251.16534	5.6
252.09911	0.8
263.20142	4.9
265.17963	2.7
273.18665	3.0
291.19650	19.3
292.19937	1.3
309.17078	7.9
309.20691	37.1
310.20975	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.6
57.42660	0.4
59.01228	1.7
69.03318	0.7
71.04873	1.1
74.99837	1.1
75.00235	0.7
80.02520	0.8
81.03311	0.9
82.55915	0.3
83.04893	0.4
84.02025	0.7
84.11136	0.4
91.73078	0.7
93.03302	0.5
95.01239	1.1
95.04883	0.6
96.02114	0.4
96.95867	0.5
97.02826	2.2
97.06436	1.2
98.03581	0.9
99.00745	3.0
101.05974	0.4
106.04102	0.4
109.06438	0.7
110.03603	0.6
110.14682	0.4
111.00758	0.5
111.08028	1.2
121.06419	0.4
123.04353	1.6
123.08035	0.7
125.09593	2.1
127.07510	0.6
137.05994	0.5
137.09610	1.0
141.12723	1.2
141.63844	0.4
149.09570	0.4
149.72012	0.4
151.03900	8.7
151.06363	0.5
151.07533	9.2
152.08327	19.5
153.08801	0.8
153.12822	0.9
162.10410	1.1
163.11209	5.4
165.09116	1.0
165.12756	7.7
166.09897	0.7
175.07553	0.8
177.12816	1.0
179.07028	0.5
179.14322	3.0
181.12289	3.9
183.13803	1.4
184.07283	1.6
185.11729	0.8
190.09894	1.0
191.14368	0.6
193.08665	2.0
193.15918	1.6
197.11794	2.4
205.15701	0.4
207.10211	0.9
208.10916	2.3
209.11816	1.8
209.15417	22.9
210.15732	1.3
211.13373	0.8
219.17456	1.0
223.13385	2.9
233.15131	0.4
235.13383	0.5
235.34062	0.4
245.19185	0.4
247.17049	1.5
247.20638	9.8
251.16518	1.7
252.10004	3.2
265.18106	6.1
273.18719	3.0
291.19672	100.0
292.20020	6.0
294.89230	0.5
309.17102	37.5
309.20724	85.4
310.17380	2.8
310.21085	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	309.2801
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
55.82851	0.6
79.95606	1.4
96.95872	11.5
107.32648	0.7
129.56125	0.6
183.07773	0.7
288.08270	0.8
291.26941	0.7
309.17487	10.5
309.28021	100.0
310.28220	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	310.1088
Annotation	(-)-Ushinsunine beta-N-oxide
Peak:m/z	Relative Intensity
52.77420	0.4
53.89941	0.4
71.31170	0.5
80.64544	0.5
83.61551	0.5
89.79915	0.5
105.06953	3.2
106.04092	3.7
116.04926	3.2
130.06502	13.4
132.08072	1.4
142.06535	1.6
145.05208	2.0
146.05974	1.6
148.07549	0.8
149.05954	1.0
156.14342	0.5
158.05992	1.5
160.07582	8.1
170.76158	0.5
203.05801	7.4
204.06445	1.8
235.04857	3.8
254.11865	2.7
266.11816	1.1
309.20706	0.6
310.10870	100.0
311.11206	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	310.145
Annotation	Manibacanine
Peak:m/z	Relative Intensity
55.32010	0.3
59.01226	1.4
77.92226	0.3
89.02268	0.4
106.04107	4.1
108.02036	0.8
113.02287	0.4
130.08586	0.3
186.13217	0.3
218.87503	0.3
220.04926	0.5
266.15530	6.6
266.52200	0.4
267.15796	0.7
271.28601	0.3
295.54935	0.4
310.14505	100.0
311.14822	8.0
311.22342	0.5
315.85098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.00460	1.1
58.29058	0.3
58.99987	0.8
59.01242	49.5
59.02358	0.7
59.18926	0.3
61.98685	0.9
68.04908	1.1
70.99614	0.8
71.01239	42.4
72.01559	0.6
72.99171	1.4
73.02807	1.1
75.00732	1.9
78.14901	0.4
79.90550	0.3
82.02828	0.5
83.01253	1.3
84.08015	0.5
85.02805	4.0
86.03143	0.5
87.00738	1.1
87.04374	0.6
88.03914	2.8
88.99992	1.0
89.02297	69.4
89.04325	1.1
90.02654	0.6
95.01250	1.6
101.02301	12.2
112.03929	0.5
113.02311	11.6
119.03384	8.3
128.03433	1.3
129.01772	0.8
130.02173	0.8
130.05026	5.3
130.08612	100.0
131.03398	4.5
131.04372	0.8
131.08987	2.4
133.69260	0.4
139.08284	0.4
143.03398	3.1
144.95210	0.4
145.06062	2.1
146.04449	1.2
149.04428	2.6
161.04462	3.8
179.03951	0.8
179.05527	12.2
180.05852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82090	0.8
59.01230	1.1
75.21985	0.8
79.05405	1.4
81.03316	1.5
82.96662	0.9
83.04884	5.6
90.66489	0.8
93.03303	4.9
101.78512	0.8
102.05456	0.9
106.04102	14.9
107.04896	28.6
108.02019	1.7
119.04888	2.3
121.02798	2.6
125.05978	7.4
128.03439	1.0
137.02330	1.0
139.37192	0.8
151.03905	20.6
169.05002	9.3
171.08061	1.9
187.07526	1.4
195.12900	0.8
198.15480	1.0
213.09161	47.9
213.52235	0.9
214.09497	3.3
256.97330	1.0
257.08197	64.6
258.08423	4.2
275.09265	100.0
276.09595	6.2
311.06949	1.9
311.11188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02833	1.4
59.01238	0.7
70.02839	8.2
71.01250	0.8
71.02364	3.3
72.00759	3.8
78.95775	1.6
82.82963	0.2
89.02310	0.6
89.03425	1.1
95.02364	5.9
96.95905	0.6
96.96797	0.4
97.55072	0.3
111.01875	2.6
113.00520	0.5
113.03432	35.6
114.01834	28.3
131.04500	100.0
131.08582	0.9
132.02907	0.4
132.04012	0.6
132.04852	1.8
136.93855	0.3
141.69937	0.3
160.16808	0.3
191.95547	0.4
203.85899	0.3
241.86832	0.3
250.99330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	Methynolide
Peak:m/z	Relative Intensity
51.29471	0.4
54.56503	0.2
55.01715	0.7
59.01246	2.5
60.92878	0.5
60.93136	0.3
62.01817	0.2
62.68074	0.2
64.62752	0.2
65.43378	0.4
65.43674	0.3
71.04833	0.7
82.24139	0.2
99.00716	0.5
105.07343	0.3
111.07999	0.4
125.09481	0.3
135.04356	0.8
139.11171	0.3
141.12666	0.4
151.11131	1.0
164.08257	0.3
165.12726	0.4
167.14325	1.9
192.11449	0.3
193.15892	0.7
195.17305	0.2
207.17479	2.6
208.17941	0.3
218.64090	0.3
223.11638	0.8
223.20636	100.0
224.20972	4.7
249.18611	6.3
267.19678	37.9
268.19998	1.8
293.17630	5.3
294.17990	0.5
311.13611	1.3
311.18701	20.0
311.22214	1.4
312.18991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01241	81.9
68.22069	4.5
75.26228	4.9
82.92880	5.1
97.06548	5.3
119.25866	5.7
130.68172	5.1
168.91350	9.6
170.88239	10.7
223.20586	13.8
252.16849	6.6
266.77020	7.0
267.19684	100.0
275.16629	9.7
293.17612	39.1
293.20963	10.2
311.09775	6.3
311.18610	41.3
311.22314	30.7
311.29645	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2018
Annotation	Tibolone
Peak:m/z	Relative Intensity
54.89095	0.5
57.03320	3.4
57.03533	0.7
59.01236	3.1
61.98679	0.7
62.19285	0.4
65.03809	0.9
67.01760	0.8
68.92030	0.4
68.99635	0.6
69.03313	3.9
76.39136	0.5
76.44257	0.5
80.02518	0.8
80.58945	0.5
81.03316	3.6
83.04853	0.6
89.50214	0.5
93.03236	0.5
95.01224	1.5
95.04862	3.2
96.02009	1.8
97.02228	0.7
97.02809	10.7
108.02040	10.8
109.02814	14.3
111.00744	1.4
113.91419	0.5
121.02817	2.6
121.10052	0.9
122.03603	43.1
123.04394	21.1
124.04792	0.6
128.00984	0.7
131.04964	0.5
131.29205	0.5
133.06456	0.5
133.10068	0.8
134.03603	0.7
135.04387	4.5
135.11662	1.2
136.05209	0.7
145.02864	1.4
147.04366	1.4
147.11694	0.9
148.05135	1.2
149.05931	1.5
149.09610	1.0
151.07481	0.9
159.08084	0.6
159.11653	0.7
161.05923	1.9
162.06715	1.7
173.05977	0.8
173.13222	0.9
174.06676	0.8
175.07549	2.3
175.94466	0.6
177.09155	0.9
182.99622	0.7
183.01129	9.7
184.01866	1.4
188.08293	1.7
197.02669	1.3
201.09096	1.9
202.09755	0.8
203.10710	4.5
227.10658	0.9
241.12279	1.5
242.12997	1.0
253.15877	0.9
267.21255	3.5
268.21106	0.6
269.18835	0.6
293.19101	1.3
309.41254	0.5
311.16818	17.1
311.20148	100.0
312.17221	1.1
312.20465	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	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.00460	12.0
59.01234	3.0
65.55202	0.9
66.91740	0.8
68.83572	0.8
75.72647	1.0
91.73172	2.1
92.07491	0.8
92.46500	0.9
101.28177	0.9
104.38892	0.9
109.06465	2.2
127.07534	6.6
168.91356	2.7
170.88255	1.0
170.91075	1.1
179.14359	1.1
183.13823	26.9
184.14186	1.0
195.13834	1.5
213.14926	9.4
223.13547	1.9
241.14497	9.3
250.98909	1.1
275.20261	2.6
293.21255	12.0
311.22308	100.0
311.29758	3.5
312.16074	10.2
312.22733	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.77028	0.8
58.00465	8.8
59.01234	3.4
59.32562	0.8
67.69880	0.9
74.47507	0.8
89.10416	1.0
109.02843	1.5
109.06452	2.3
127.07474	5.6
129.46338	0.9
152.93582	1.2
168.91342	2.8
170.91064	1.5
183.13824	24.8
186.80061	1.1
195.13857	2.9
213.14909	6.7
223.13435	2.2
241.14447	7.6
275.20129	1.8
277.32498	1.1
283.25229	1.4
293.21368	8.3
311.22299	100.0
312.22632	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.30817	0.5
51.28390	0.5
51.94835	0.4
55.01752	0.7
55.16747	0.4
56.94331	0.4
57.03300	0.5
57.93102	0.5
59.01245	1.5
60.29218	0.5
67.04268	0.5
71.04870	3.1
83.04877	0.7
84.02005	0.6
90.61932	0.5
93.52640	0.5
100.26965	0.6
101.60925	0.5
103.72318	0.5
111.07971	0.7
125.09588	1.6
125.55930	0.6
127.11157	2.0
127.86221	0.5
139.11179	1.0
155.14316	0.9
165.12709	0.9
167.67717	0.6
168.91302	0.8
171.10193	4.1
183.01094	0.7
183.13858	1.6
199.13426	0.7
205.79535	0.7
209.11777	2.1
212.34792	0.6
243.16017	0.8
249.22307	1.0
291.19708	2.2
293.21271	4.0
297.76590	0.6
311.22308	100.0
312.22598	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.94804	0.2
53.00045	0.3
56.99774	0.3
58.00451	0.5
71.26058	0.3
72.97377	0.4
72.99165	36.7
73.00775	0.6
73.02805	0.9
74.98858	0.4
75.00729	26.4
75.02411	0.5
87.91959	0.3
91.33909	0.3
119.04921	0.4
137.61606	0.3
183.01126	13.9
184.01900	2.5
197.02708	0.5
216.00945	0.5
231.96619	0.3
235.20692	0.4
247.20480	0.5
274.43777	0.8
276.53470	0.4
289.42245	0.6
311.16855	27.7
311.22296	100.0
312.17154	1.4
312.22562	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.62534	0.7
59.01244	2.1
60.78728	0.8
88.59119	0.8
98.74881	0.8
114.90755	0.8
115.07472	1.2
127.61289	0.8
167.14276	2.9
168.91367	2.3
183.13834	2.9
187.23285	0.9
195.13860	10.7
195.69432	1.0
203.02785	0.9
209.19174	1.6
213.14941	1.2
217.16008	1.2
249.22250	1.1
267.23077	1.3
291.58096	1.3
293.21243	8.4
311.22299	100.0
312.22623	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	312.1607
Annotation	Colchiethanamine
Peak:m/z	Relative Intensity
52.11650	0.8
57.21534	0.6
59.01244	34.4
61.98677	0.8
68.13254	0.7
71.01198	0.9
78.36458	0.8
106.04110	8.1
108.02068	1.1
130.67369	0.9
141.19164	0.8
152.86797	0.9
162.12798	6.3
192.14928	0.9
252.08842	1.5
253.09308	2.3
266.15530	1.7
268.17062	9.2
312.16068	100.0
313.16373	6.4
313.23969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42978	2.1
59.01243	30.3
61.98678	3.1
71.01232	6.2
72.99174	4.4
73.02803	9.6
78.95766	2.9
85.02804	34.5
89.02316	6.0
90.98432	2.1
96.95849	2.4
99.00729	3.1
101.02283	4.6
106.04008	2.2
107.04891	5.2
109.06502	2.1
111.00750	7.9
113.02315	4.6
117.01800	14.1
119.04922	7.0
121.06455	8.9
123.04408	11.5
125.05959	5.4
126.90377	3.6
128.03473	2.5
129.01801	27.6
134.04558	3.9
135.04413	6.7
137.02284	3.5
137.05942	15.0
147.04431	6.6
149.05980	10.6
149.21329	2.3
151.03908	9.9
153.05432	6.0
159.04469	8.0
161.04507	5.7
161.05859	2.6
163.03952	3.2
164.01047	4.8
165.05472	100.0
166.05740	2.5
173.00868	7.9
175.03934	10.4
177.05505	9.3
178.02718	5.3
179.03410	5.3
187.03938	2.6
190.02722	11.1
191.03424	12.2
193.04953	22.9
195.02708	3.6
197.04482	36.1
203.03490	7.6
204.04158	3.3
205.05019	43.8
206.02101	6.2
209.04532	8.8
211.06075	4.8
212.98993	2.7
221.04544	32.5
223.06091	7.1
233.04501	7.5
236.39780	3.3
239.05629	11.5
251.05624	12.3
252.05780	3.0
253.09351	15.2
255.05067	8.5
265.03491	4.1
267.05035	15.1
283.04596	16.4
285.06143	4.5
295.04605	26.0
313.05640	37.5
313.11084	2.7
314.06003	3.7
330.40048	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	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01241	3.5
60.01575	0.2
60.37839	0.2
71.01231	0.4
77.03827	0.3
85.02805	0.2
89.02296	0.3
101.02307	0.5
113.02320	0.3
117.25974	0.2
120.98934	0.9
121.02821	100.0
121.06259	1.4
122.03152	1.8
133.04958	0.2
139.11157	0.4
150.89067	0.1
161.04402	0.2
170.88261	0.3
180.05750	1.1
181.06502	4.4
182.06856	0.3
188.56523	0.2
194.87238	0.2
225.05525	6.9
226.05864	0.4
253.09312	0.8
254.85776	0.2
269.08023	0.2
283.75635	0.2
313.07199	13.9
313.20490	0.3
313.23792	0.4
314.07446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Pungenin
Peak:m/z	Relative Intensity
50.17610	0.4
52.59845	0.7
52.60062	0.5
54.39166	0.4
55.01746	2.6
57.03302	2.0
58.00440	0.6
59.01242	33.5
59.02311	0.6
59.82613	0.4
60.01566	1.2
61.98682	0.6
70.99604	0.4
71.01239	19.8
72.99175	2.3
73.02805	9.4
78.95759	0.6
79.75932	0.5
83.00782	0.8
83.01243	8.1
85.02290	1.1
85.02802	15.5
85.99947	1.1
87.00721	1.7
87.04327	0.6
89.02285	1.5
95.01229	1.9
97.02834	0.7
99.00746	3.2
101.02303	18.6
107.04883	12.2
113.02304	7.1
121.02809	0.9
126.90342	1.4
128.03354	0.4
128.62784	0.4
131.19653	0.4
133.04939	3.3
135.04405	0.6
139.11215	0.5
149.02335	1.4
150.98856	0.6
151.03894	40.0
152.04224	1.3
161.04417	0.8
161.05783	0.5
184.30157	1.0
205.04842	0.5
253.09274	2.5
313.09305	100.0
314.09692	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	313.0931
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
54.51064	0.8
55.01739	2.9
57.03298	2.1
59.01242	40.7
59.06553	0.8
60.01582	2.1
64.04195	1.1
71.01244	14.2
72.99153	1.5
73.02801	8.0
83.01228	4.7
85.02810	11.4
87.00733	2.2
87.04366	2.1
89.02297	1.3
93.03323	0.9
95.01212	1.2
99.00749	2.1
101.02294	15.0
102.16840	1.0
107.04891	12.6
108.02050	2.0
113.02293	4.4
126.90399	1.5
133.04921	6.2
151.03893	34.1
152.04182	1.2
161.04495	1.3
166.08601	1.1
199.83694	1.1
224.09169	1.7
243.76419	1.1
253.09322	6.4
254.85535	1.5
256.68637	1.3
271.68677	1.1
313.09296	100.0
314.09708	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	313.1197
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
51.97993	1.2
51.98208	0.5
52.81186	1.0
53.88632	0.5
59.01244	5.4
62.35874	0.5
62.72284	0.6
69.03324	0.5
71.01253	0.9
73.02826	0.6
77.64065	0.5
83.04881	0.6
83.99068	0.5
85.02814	1.3
89.02267	1.1
92.04944	0.6
101.02273	0.7
102.72541	0.5
104.04918	7.2
106.06477	7.9
107.03645	0.8
113.02340	0.6
120.55379	0.5
122.05986	11.2
124.07550	1.4
134.05992	41.6
135.06349	1.5
139.11150	1.3
141.63571	0.6
147.03194	0.6
148.03931	78.5
148.08469	1.0
149.04260	2.1
152.07063	72.4
153.07405	1.8
160.03938	14.2
161.04541	1.6
183.10167	0.8
248.00937	0.5
253.09375	3.3
255.11363	3.7
259.71912	0.6
267.11429	2.3
283.10855	6.5
295.10760	1.5
301.32932	0.6
312.15616	0.6
313.11963	100.0
314.12207	5.1
315.11053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.156
Annotation	Gigantamide A
Peak:m/z	Relative Intensity
50.49883	0.2
59.01237	2.1
70.02833	1.8
70.61869	0.2
71.01240	0.7
71.02880	0.3
73.58234	0.3
74.01952	0.3
74.02328	4.1
84.94920	0.2
100.03881	0.3
101.02288	0.8
106.04106	14.4
106.06480	1.7
108.02031	2.7
117.03326	0.7
118.06541	0.4
138.03110	0.8
139.11174	0.6
153.56613	0.3
160.53593	0.3
161.04407	0.5
161.10663	0.3
163.12309	1.1
172.84225	0.3
187.08704	1.0
189.10066	0.3
190.67937	0.3
207.11320	1.9
212.10757	9.2
213.10988	0.4
224.10748	2.7
229.98863	0.3
241.06419	0.5
253.09247	1.3
255.15121	0.6
267.15051	5.7
269.04477	2.1
269.16599	5.5
295.02515	1.2
295.14517	9.7
296.14868	0.9
313.03525	1.6
313.15598	100.0
314.15955	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2175
Annotation	CAY10429
Peak:m/z	Relative Intensity
53.42812	0.4
57.03318	7.1
58.36199	0.5
59.00827	0.6
59.01225	2.8
83.04877	0.5
87.98307	0.5
91.43520	0.7
97.02798	1.9
101.02283	1.0
108.02029	11.8
109.02818	1.9
121.02847	4.0
122.03603	8.3
122.21648	0.7
135.04425	1.7
142.15712	0.7
148.51875	0.6
160.01828	0.6
170.73228	0.6
178.83914	0.7
214.52205	0.6
224.72476	0.7
253.09354	1.7
255.17645	1.9
269.22772	5.6
285.22256	2.1
313.21744	100.0
314.22101	6.8
336.40979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86049	0.3
54.18465	0.3
54.88562	0.3
59.01227	1.3
71.01277	0.4
72.99165	35.3
73.00828	0.4
73.02792	0.9
75.00731	24.0
75.02467	0.3
79.31801	0.3
89.02278	0.5
101.02279	0.3
139.11131	0.6
185.00624	0.5
235.08281	0.3
237.22174	1.2
240.05899	0.4
251.23917	0.4
253.09306	1.3
255.20398	0.3
267.23260	1.7
272.78485	0.8
287.63260	0.6
309.77924	0.3
313.23868	100.0
314.24203	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.94768	0.3
56.38937	0.3
57.03313	0.2
58.00468	0.3
59.01232	1.5
63.36893	0.3
71.01248	0.3
72.99163	23.3
73.00916	0.5
73.02802	1.1
75.00731	15.9
89.02276	0.5
101.02283	0.6
103.86909	0.3
124.21334	0.4
153.46477	0.3
161.04472	0.4
237.22180	0.5
251.24014	0.4
253.09309	1.1
264.10925	0.4
265.43362	0.4
267.23508	0.4
267.26978	0.9
272.75696	0.4
303.81604	0.3
311.25912	1.3
313.23834	61.6
313.27493	100.0
314.24191	3.3
314.27853	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	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01232	1.3
59.98384	0.3
60.99126	0.3
71.01228	0.3
72.97601	0.5
72.99166	37.1
73.00882	0.5
73.02829	0.3
74.99117	0.4
75.00732	24.8
75.02538	0.5
80.92961	0.3
84.23064	0.3
90.01218	0.3
91.72743	0.3
101.02303	0.4
104.57436	0.3
136.38409	0.3
139.11186	0.6
175.40103	0.3
185.00723	0.3
201.11237	0.4
207.75508	0.3
216.28575	0.3
237.22206	1.3
253.09367	1.1
267.23215	2.0
272.78720	0.6
283.13156	0.3
287.63251	0.5
296.00192	0.3
301.84128	0.3
313.23880	100.0
314.24200	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.2
69.69965	0.7
71.01208	0.8
72.99168	34.9
73.02813	0.9
75.00732	23.7
76.65456	0.7
87.75118	0.7
113.02306	0.9
117.03593	0.8
139.11179	1.2
150.42581	0.8
161.04335	0.9
185.00714	1.8
213.54478	0.9
237.22079	1.2
253.09267	2.5
267.23294	1.2
313.23868	100.0
314.24289	5.0
334.92960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.93203	0.2
59.01246	2.1
60.50910	0.3
62.63326	0.3
64.44423	0.3
72.99166	13.9
73.02787	0.9
75.00732	11.2
113.02306	0.5
139.11154	0.9
185.00583	0.3
247.06023	0.3
253.09277	1.2
267.26904	0.5
311.25946	1.2
313.23843	45.4
313.27496	100.0
314.24188	2.2
314.27838	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	313.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.6
59.88192	0.4
62.97041	0.3
66.71552	0.3
68.10376	0.3
71.01228	0.8
71.61751	0.3
74.62197	0.4
80.21119	0.4
84.06348	0.4
94.19296	0.4
94.27884	0.4
98.91381	0.4
104.65844	0.4
139.11101	0.5
235.61700	0.5
253.09348	2.0
286.97049	0.5
297.24365	0.5
313.27481	100.0
314.24429	0.7
314.27829	5.3
322.83582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.22626	0.4
57.03078	0.6
57.03318	9.3
59.01234	1.0
69.03310	3.2
72.22495	0.8
77.82574	0.5
91.02061	1.5
93.00020	0.5
99.43674	0.7
109.30426	0.5
117.33965	0.6
117.94193	0.5
251.23792	0.6
253.09218	0.9
267.26929	50.4
268.27310	2.9
295.26306	1.6
311.25842	0.7
313.27502	100.0
314.27798	6.3
320.12643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1027
Annotation	(+)-3-O-demethyl-3-epimacronine
Peak:m/z	Relative Intensity
58.41143	1.5
59.01232	5.5
63.35616	1.5
64.70901	1.4
65.03810	2.0
79.05387	7.4
80.02500	1.6
81.03307	8.8
83.04885	3.4
85.02854	1.4
88.03892	4.3
92.02515	1.6
93.03327	11.9
95.04886	2.5
96.95889	3.1
101.02313	2.1
106.04079	7.9
107.04888	59.6
108.02030	4.1
108.05200	3.8
109.02795	2.0
109.06435	5.7
119.04885	14.8
120.04391	8.0
120.05743	1.8
121.02827	17.1
121.05231	2.2
122.03632	4.3
123.04384	23.7
123.23682	1.4
124.78596	1.7
125.05956	14.3
131.03636	1.6
131.04921	2.5
132.04427	6.9
137.02328	2.4
137.05965	53.0
139.59189	1.8
144.04431	21.5
145.05148	1.9
146.06009	2.5
150.03139	12.4
150.05508	3.1
151.03893	33.2
152.04373	1.9
159.08049	6.1
163.03941	3.1
167.03444	10.4
169.04982	15.0
171.08116	3.4
181.04979	14.1
182.02121	9.2
182.09624	2.6
183.08131	2.2
187.07558	4.9
210.06912	2.4
211.07605	28.3
213.09189	4.3
214.09471	5.9
223.07732	1.9
225.09172	39.7
225.11389	2.4
226.08827	3.4
227.10815	5.8
228.10257	39.8
229.08627	13.7
229.10545	2.7
229.13979	1.7
234.09204	1.9
243.10292	4.7
252.10287	12.5
255.06560	2.7
256.07303	4.3
258.08536	10.3
259.90137	1.8
259.93015	1.9
270.11328	27.9
273.07648	15.8
274.08389	2.2
276.09692	12.1
278.08072	2.7
278.50485	1.8
296.09293	63.1
297.09845	2.7
314.10355	100.0
315.08853	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	314.1037
Annotation	Hippeastrine
Peak:m/z	Relative Intensity
54.86325	1.2
56.23764	0.9
59.01241	4.0
69.86819	0.9
93.03358	1.7
106.04109	21.1
107.04901	4.2
108.02053	4.0
120.08053	18.3
136.59045	1.1
138.03090	1.6
139.11223	1.6
146.06006	32.9
177.80937	1.1
203.57895	1.2
205.08241	1.2
213.09309	1.9
217.18343	1.3
224.10883	1.9
226.12350	25.4
252.10245	7.1
256.09885	2.5
257.08383	4.5
270.11371	100.0
271.11856	6.2
314.10434	77.1
314.14029	12.4
315.10620	6.4
335.40887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86001	0.6
52.88127	2.1
52.88334	0.7
53.84403	0.6
57.03312	0.7
58.28944	0.7
59.01243	26.9
61.98686	3.4
71.01236	13.8
72.00767	1.7
72.99174	0.8
73.02796	2.9
75.00732	1.4
78.95771	1.7
80.04916	0.7
80.28167	0.7
83.01240	1.7
85.02799	4.4
87.00739	5.0
89.02292	9.6
93.03357	1.1
94.06454	1.0
94.83616	0.7
95.01224	1.2
96.95842	1.0
96.96825	2.3
97.02792	0.9
98.96343	0.7
99.00735	0.9
101.02301	9.9
109.02814	4.4
113.02332	4.1
117.57124	0.7
119.03371	2.4
122.05972	2.2
124.07538	8.5
132.04416	5.2
133.04927	2.9
134.05151	1.2
134.06010	12.3
136.07558	18.9
137.02348	0.9
147.04416	5.9
148.07579	2.3
150.05470	4.6
152.01112	1.7
152.02289	1.5
152.07062	100.0
153.01836	3.9
153.07401	2.6
164.07069	18.2
176.06998	1.5
194.08105	3.6
195.02718	1.0
215.08095	0.7
224.09328	1.3
254.10281	0.9
314.12476	99.6
315.07291	2.8
315.12717	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	314.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88116	1.8
55.01755	0.4
57.03305	0.6
58.00468	0.5
59.01242	16.8
59.33212	0.3
61.98692	0.9
64.02890	0.4
64.88666	0.3
71.00865	0.8
71.01240	10.1
72.99174	0.7
73.02817	2.2
75.00761	0.4
78.95730	0.6
79.54972	0.4
80.04936	0.9
82.06464	0.7
83.01257	1.8
85.02806	4.7
85.96351	0.4
87.00735	3.9
88.83385	0.4
89.02302	7.9
89.40044	0.5
94.06498	0.7
95.01192	0.9
96.95888	0.8
98.02384	0.4
99.00735	0.8
101.02306	8.5
106.06474	0.9
109.02837	1.8
110.05991	0.8
111.01877	0.5
113.02319	4.1
113.03445	0.5
114.05471	1.2
119.03358	2.7
120.01116	1.0
122.05967	2.0
124.07549	8.6
132.04433	6.7
134.03676	0.6
134.05988	12.3
136.07564	19.7
144.40736	0.5
147.04362	0.5
148.07587	1.8
149.06052	0.8
150.05478	3.6
152.07063	95.6
153.01816	2.4
153.07425	2.8
161.04472	0.5
164.07066	1.9
176.07103	1.2
179.05719	0.4
194.08180	1.8
224.09225	0.9
246.58783	0.5
249.09396	0.4
276.13440	0.5
314.12482	100.0
315.07361	0.6
315.12808	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	314.14
Annotation	Robustimine
Peak:m/z	Relative Intensity
50.10662	0.4
59.01178	7.1
61.66484	0.5
72.71870	0.5
84.85942	0.5
94.66558	0.5
106.04108	15.3
108.02046	2.5
120.08064	13.1
127.26897	0.5
138.03061	1.1
146.05997	14.4
151.91840	0.6
217.00264	1.1
226.12349	13.1
226.14571	1.0
252.10194	0.8
252.13998	0.7
254.10036	0.8
270.11368	100.0
271.11758	4.7
314.14017	21.8
327.75208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18340	0.7
58.38462	1.2
59.01246	5.6
68.79928	0.8
79.91716	1.0
82.57558	0.8
93.03320	4.5
106.04109	15.2
107.04894	23.7
108.02034	2.2
121.02820	3.1
138.03044	1.7
170.92976	1.0
171.07993	1.2
179.84567	1.0
213.09164	45.8
214.09499	2.5
235.07378	1.2
243.14009	1.4
257.08188	100.0
258.08554	7.6
279.06348	1.7
301.19458	1.3
315.04163	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	315.1088
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
58.00463	1.4
59.01242	94.6
59.02409	1.9
61.98676	2.3
68.21850	1.1
69.94621	1.1
71.01241	44.3
72.99151	2.5
82.10840	1.2
83.01234	2.6
85.02817	9.4
87.00713	2.0
89.02301	58.1
95.01236	3.0
96.95826	2.2
101.01646	1.6
101.02302	28.9
107.04875	1.5
113.01669	1.6
113.02318	18.7
119.02604	2.0
119.03374	27.2
123.04364	3.1
131.03387	1.9
135.04399	81.6
136.04768	2.7
143.03389	2.3
149.04506	1.4
149.52209	1.3
151.03714	1.5
152.07059	1.6
153.05472	2.9
160.47713	1.3
161.04449	2.6
171.10324	1.2
179.05513	3.0
183.39830	1.2
217.00291	1.7
225.06407	2.5
243.13847	1.4
246.51376	1.6
254.85648	2.6
294.92969	1.3
315.10861	100.0
316.11105	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90577	0.6
58.99985	1.8
59.01240	100.0
59.02366	1.4
60.49372	0.7
61.88483	0.7
65.36958	0.7
71.01236	8.7
73.02805	2.5
83.01225	0.9
83.51141	0.7
85.02809	4.1
85.45201	0.7
93.03313	18.2
99.00755	2.2
101.02316	4.6
113.02326	4.4
120.99522	14.5
130.08620	2.3
131.06955	0.8
134.03592	4.0
138.22075	0.8
143.03410	1.5
149.05956	2.5
159.02917	1.4
161.04445	17.7
161.54636	0.8
208.81621	0.9
235.12065	0.8
253.11896	0.9
255.08849	0.9
261.54965	1.0
289.28024	1.1
306.97906	0.9
315.12427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	seco-Hinokiol
Peak:m/z	Relative Intensity
55.17505	0.8
57.03303	0.5
57.37487	0.4
59.00979	0.5
59.01246	8.9
60.05392	0.4
60.48306	0.4
64.84125	0.8
64.84422	0.7
71.01244	0.7
71.74881	0.4
72.00837	0.4
72.98955	0.7
74.60541	0.5
80.02518	1.4
81.03301	1.3
82.02174	0.5
83.04874	0.5
91.00999	0.5
91.05395	0.6
93.03342	0.8
95.04898	5.7
97.06439	1.2
103.31591	0.5
106.04108	1.6
107.04888	1.1
107.08530	0.6
109.06451	2.7
111.91113	0.5
119.04882	2.0
120.05685	1.8
121.06481	0.8
123.08024	0.9
125.09617	0.6
127.07512	0.6
131.04892	0.6
132.05698	0.6
134.07304	1.0
135.08006	0.7
141.09105	2.1
145.06487	2.1
146.07205	1.5
147.08061	4.2
148.08858	1.4
149.09619	2.0
149.13219	0.5
151.11153	1.0
161.09601	3.6
163.11188	37.2
164.11539	1.2
165.12749	14.5
167.10681	1.4
171.08066	1.5
173.09634	1.2
174.99103	0.8
175.11180	1.3
185.09616	0.8
187.11348	0.6
189.12776	20.9
190.13159	0.6
191.14275	3.1
199.11208	1.0
200.11917	0.6
201.12750	1.3
202.13629	0.7
203.14328	2.3
215.14374	1.5
217.00252	2.1
217.15939	43.6
218.16245	1.9
230.16808	2.1
243.14078	0.6
243.17516	2.7
257.08075	0.7
271.20700	48.2
272.21045	3.8
282.48376	0.6
297.18539	3.5
315.05267	1.2
315.19696	100.0
316.19925	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	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17491	0.8
57.03317	0.3
59.01244	8.0
64.84119	0.7
67.05370	0.5
67.49601	0.3
71.01218	0.7
72.98943	0.7
72.99303	0.4
75.82754	0.3
80.02530	6.8
81.03311	1.0
83.04865	0.7
83.45288	0.3
84.43340	0.3
85.02819	0.4
89.23530	0.3
93.03303	1.3
95.04881	5.5
97.06429	0.6
97.40154	0.3
106.04096	2.5
107.04865	1.2
107.08495	0.8
109.06457	3.2
113.05901	0.4
119.04883	2.3
119.08524	0.5
120.05710	1.7
121.06432	0.9
121.10115	0.5
121.81680	0.3
123.08012	1.3
125.09570	0.6
128.85077	0.3
130.04115	0.3
131.04893	0.8
131.08554	0.3
132.05701	0.5
134.07236	0.9
135.08067	0.6
141.09097	1.8
145.06490	2.5
146.07265	1.6
147.08049	4.0
148.08794	2.1
149.09607	4.0
149.13225	0.5
150.10384	0.7
151.07475	0.7
151.11205	0.7
153.09148	0.5
155.10590	0.4
157.06471	0.4
158.07167	0.4
159.08092	1.1
160.08878	0.5
161.09630	3.6
163.05927	0.6
163.11185	40.5
164.11523	1.5
165.12749	14.0
167.10689	1.3
171.08026	1.4
172.08798	0.4
173.09645	0.8
174.10344	0.7
175.11215	1.6
176.12054	0.4
177.12726	0.4
185.09589	0.5
187.11200	1.3
188.12067	0.3
189.12782	20.4
190.13161	0.9
191.14407	1.9
193.12411	0.4
199.11235	0.9
200.11987	1.3
201.12851	1.0
202.13632	0.4
203.14378	2.7
213.12761	0.5
214.13660	0.5
215.14307	1.6
217.00212	0.7
217.03888	0.3
217.15930	43.3
218.16222	1.9
227.14526	0.5
230.16704	1.5
243.17517	2.7
246.12567	0.5
253.19533	0.7
257.08160	0.5
259.13431	0.5
269.19241	0.4
270.95010	1.1
271.20697	53.1
272.21008	3.0
297.18555	4.0
314.94003	1.4
315.19687	100.0
316.20004	7.3
337.89697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2328
Annotation	Pregnenolone
Peak:m/z	Relative Intensity
57.03315	2.9
59.01233	1.3
83.74195	0.4
84.29879	0.3
97.02798	0.8
107.08553	0.3
108.01327	0.6
108.02028	9.2
108.28798	0.3
109.02833	1.8
114.84230	0.3
121.02796	1.4
122.03601	7.2
152.49286	0.4
162.15367	0.4
163.17029	0.4
175.14804	0.4
193.67834	0.4
232.97441	0.4
236.10457	0.4
257.19031	0.7
270.94870	0.4
271.24335	7.0
272.24640	0.4
287.23718	0.8
315.23285	100.0
316.23639	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	315.2329
Annotation	Pregnenolone
Peak:m/z	Relative Intensity
50.36594	1.3
56.34925	1.2
59.01247	21.5
61.15818	1.1
71.01228	1.9
72.99171	19.3
75.00732	14.7
96.43441	1.4
217.19580	4.7
232.97540	3.5
237.18576	1.6
239.23592	2.6
271.24335	26.5
272.24585	2.1
315.12534	2.3
315.23346	100.0
315.26004	30.7
316.23264	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01530	0.6
55.01751	5.6
59.01251	6.5
64.16236	0.7
66.03368	0.7
68.79651	0.7
68.99676	1.6
70.08926	0.7
71.01241	13.0
71.57603	0.7
72.99152	1.2
73.02800	1.4
75.00741	1.3
75.63941	0.6
76.29708	0.8
78.95779	0.9
80.96365	1.4
81.03333	1.2
83.01240	10.7
85.02814	1.6
86.02325	1.2
87.00728	11.4
88.98646	2.8
89.02295	1.7
93.03342	1.5
95.01209	1.1
96.04422	0.8
97.02796	1.2
99.00739	5.4
99.04386	1.0
101.02315	1.1
102.05496	0.8
108.02032	2.4
109.02795	1.6
111.00750	2.3
111.04348	1.2
112.98677	1.7
113.02318	1.3
114.19935	0.8
115.00241	7.6
117.01826	1.2
123.00756	1.1
124.98666	3.1
125.02311	1.4
127.00240	2.3
127.03926	0.9
128.03412	3.1
129.01768	1.0
130.08633	1.3
133.01385	3.0
137.02347	2.7
139.00244	2.3
139.03789	0.9
140.98178	2.7
142.99757	4.2
143.03419	1.1
145.01317	9.3
150.04103	11.7
151.00269	0.9
152.98174	3.9
153.01848	1.6
153.05624	0.9
154.20883	0.8
154.99753	100.0
156.00105	2.1
160.89172	1.6
161.00804	1.9
161.04417	1.8
165.01794	1.1
170.99283	15.9
173.00821	98.5
173.07068	1.1
174.01190	2.9
183.02893	1.0
184.05934	0.9
187.73154	0.9
206.78986	0.8
225.48096	1.0
245.03073	1.6
282.08417	6.9
299.00577	2.3
317.01526	4.0
317.05368	2.8
317.09631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50473	1.0
50.83453	1.1
52.40743	1.1
56.72520	1.0
59.01229	5.7
60.63763	1.1
61.15719	1.2
70.35318	1.2
71.07602	1.2
74.73055	1.1
119.07001	1.3
123.02829	1.2
131.25230	1.5
137.02362	1.3
148.52936	1.3
163.11182	4.2
165.12730	7.9
169.84752	1.5
179.10747	2.9
183.83145	1.4
191.14279	2.7
245.19165	1.6
255.21220	2.9
273.22296	8.8
299.20261	3.1
309.30997	1.6
317.21222	100.0
318.21487	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.8
58.50624	0.9
59.01241	45.7
60.57722	1.0
65.35594	1.1
65.48987	1.0
67.05379	2.1
69.03312	5.7
71.01229	2.2
71.04877	1.1
75.29028	1.3
83.04878	4.0
93.06956	4.9
95.04881	4.6
97.06437	8.3
99.92715	1.2
103.94935	1.1
106.04160	1.4
107.08528	9.7
111.08006	9.3
112.78184	1.1
113.86190	1.2
117.06973	1.7
119.04876	2.5
119.08514	4.2
121.06458	19.5
121.10098	20.9
133.10106	4.4
135.11636	2.7
137.09647	3.0
138.74498	1.3
140.95192	1.3
143.08516	1.7
147.11679	13.9
149.13252	5.8
161.13232	3.1
163.07562	3.5
163.14879	5.8
173.13242	4.4
175.14835	41.5
177.09088	2.0
191.10768	1.7
193.12206	1.9
201.12700	3.1
201.16397	14.8
203.14424	9.7
205.12088	2.1
219.13855	86.3
220.14333	5.5
221.15410	7.9
229.12248	1.9
247.13391	15.2
248.14137	21.8
249.14349	1.3
255.21175	76.1
256.21576	6.4
259.52850	1.3
260.94086	1.3
273.22104	7.0
281.19193	1.4
299.20151	54.5
300.20645	4.3
317.21228	100.0
318.21545	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2486
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
59.01235	6.2
71.01231	1.1
81.04903	1.0
83.04872	1.0
134.07790	1.0
163.88457	0.9
219.21002	1.4
273.22495	4.8
273.25815	6.6
317.21509	4.2
317.24841	100.0
318.25104	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56609	1.8
59.01242	33.1
64.46603	2.0
69.81616	1.6
71.01228	3.8
75.00713	2.1
82.02842	5.1
86.45823	2.1
89.02283	3.5
94.02267	3.0
94.02842	46.3
94.05182	2.5
95.04864	3.0
96.04404	2.9
101.02271	2.5
108.04419	22.0
110.05981	2.8
113.02323	3.2
113.05936	8.1
121.05184	2.4
122.05978	26.2
124.07559	37.5
134.05994	24.3
136.03908	6.5
136.06577	4.1
136.07556	59.3
138.05495	36.3
150.05513	13.0
152.07079	9.3
157.04958	7.8
164.07054	2.4
167.05811	4.8
168.06566	51.7
180.06616	7.3
188.10808	3.8
202.12279	3.0
204.10268	2.9
214.12335	6.7
214.17001	2.3
215.08220	3.2
228.08978	2.5
229.09738	3.6
232.13356	4.2
241.09790	2.9
245.12888	3.6
247.10777	3.6
257.13034	14.2
259.10791	3.1
275.14053	10.9
275.23798	3.7
276.12363	5.8
319.13031	100.0
320.13403	4.0
324.88980	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	319.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	9.3
59.01242	80.6
59.02275	2.0
59.02546	1.3
61.98681	3.8
67.07664	1.6
70.02837	29.9
70.17157	1.2
71.01229	2.6
71.04877	24.0
74.61788	1.3
75.00719	3.1
81.29088	1.7
87.05492	6.9
89.02280	1.5
95.04870	1.9
97.02903	2.0
97.03915	4.7
99.04387	4.4
108.66456	1.5
115.04955	2.1
116.07025	2.4
118.03183	4.9
119.73727	1.5
128.07048	36.1
129.05708	1.5
129.06555	11.8
130.03209	30.9
136.05360	1.4
141.75032	1.4
146.08118	89.1
147.05836	4.8
147.08490	2.0
157.04938	1.8
161.04520	1.7
169.09756	1.6
189.06982	4.5
199.10812	5.3
211.09042	3.3
217.11888	16.8
229.10161	5.4
259.11145	13.2
259.50443	1.5
275.23843	2.7
277.12289	100.0
278.12439	3.7
319.13507	5.4
319.22330	1.8
320.08224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.78409	0.5
54.18011	0.5
55.01758	1.2
56.99672	0.5
57.03315	3.9
58.00462	1.9
59.00129	1.8
59.01242	95.2
59.02506	1.5
61.30545	0.4
62.42139	0.5
62.80179	0.5
69.03310	1.0
69.36910	0.5
70.99743	1.1
71.01240	71.3
71.02898	1.1
71.04887	0.6
72.99174	2.5
73.02805	17.0
73.03200	0.9
75.00742	1.1
79.09262	0.5
80.97726	0.5
83.01237	12.4
83.04894	0.7
85.02805	29.9
85.27984	0.5
85.99957	2.6
87.00729	3.4
89.02298	45.0
91.21201	0.5
95.01250	5.5
97.02791	0.9
99.00740	7.0
101.02304	69.5
101.05123	0.9
102.02676	0.7
103.51974	0.6
111.00752	0.9
113.02307	33.8
119.02494	1.0
119.03364	18.5
124.44040	0.6
125.02345	0.8
129.01794	1.2
131.03392	1.9
138.68434	0.6
139.07530	7.2
143.03410	2.9
149.04466	1.6
154.60568	0.6
157.08566	1.4
159.02911	4.1
161.04456	14.9
179.05521	1.4
181.63847	1.7
191.11116	0.7
201.11186	0.6
254.43875	0.8
270.42850	0.7
275.15015	9.9
285.04071	1.5
286.04382	1.8
319.13998	100.0
320.14310	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.3
57.03318	4.1
57.42273	0.5
58.00444	2.1
59.00145	1.2
59.01244	82.5
59.02446	1.5
61.27318	0.6
69.03305	0.8
69.67625	0.6
71.01241	57.4
71.02843	1.0
72.99154	2.3
73.02805	18.7
74.98813	0.6
76.54042	0.7
77.58217	0.6
78.56107	0.6
83.01234	11.1
85.02284	1.3
85.02808	26.1
85.04916	0.8
85.99940	1.8
87.00739	2.7
88.57545	0.6
89.02297	34.0
95.01241	4.6
97.02814	1.7
99.00739	7.0
101.02303	57.9
101.05023	0.8
111.00728	1.3
113.02309	27.2
115.03758	0.7
119.03378	14.9
125.02306	1.4
129.01802	1.0
131.03389	1.5
135.04420	0.8
139.07542	8.0
140.28568	0.7
143.03401	2.3
157.08600	2.0
159.02881	2.8
161.04451	12.1
181.63834	1.9
247.52879	0.8
254.43999	1.0
275.15042	9.4
275.23907	0.9
319.14001	100.0
320.14334	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	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38575	1.5
51.43690	1.5
51.96939	1.7
56.22750	1.8
57.10288	1.9
58.02851	4.8
58.97216	1.7
59.01251	14.4
62.32854	2.0
65.14615	1.8
69.22528	1.8
70.76107	1.7
72.00780	3.4
75.00750	2.3
82.06521	3.0
91.05400	13.1
96.95915	2.6
100.64923	2.0
108.92338	2.7
112.07565	3.1
118.06503	2.6
129.10214	66.4
129.11148	3.6
147.04416	24.6
153.10220	3.4
154.08603	11.3
164.07069	62.5
165.07347	2.1
169.12268	3.7
171.11305	55.3
199.13402	4.7
205.46492	2.4
233.16570	30.9
234.17078	3.2
245.14011	8.3
275.23935	5.4
296.13394	2.3
319.16748	100.0
319.21371	20.7
320.17178	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	319.1918
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
50.06430	0.6
52.65279	0.7
57.03316	1.1
59.01233	2.4
61.49574	0.7
71.32311	0.8
84.04610	0.7
89.36604	0.8
95.04876	1.0
112.84821	0.7
165.55360	0.9
187.48190	1.0
201.12769	2.9
213.15515	0.9
217.15918	1.1
226.74832	0.9
243.17465	4.3
255.17451	7.6
256.14734	1.3
271.17059	6.9
273.18600	21.6
274.19025	1.3
275.20370	1.2
275.23907	3.2
277.15524	1.0
295.89758	0.9
301.18076	2.3
317.17578	3.4
319.19147	100.0
320.15591	1.4
320.19473	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	319.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.3
58.00448	0.8
59.01010	0.2
59.01244	2.2
62.16083	0.3
65.22550	0.2
67.21027	0.2
71.04874	0.8
72.20113	0.2
72.99147	0.4
73.02807	0.5
73.97150	0.2
74.99276	0.2
83.04870	0.6
85.06442	5.9
87.04336	0.3
88.84808	0.2
89.91666	0.2
99.04369	1.4
101.05935	5.6
106.17794	0.2
106.43143	0.2
137.02518	0.2
139.11111	0.5
141.12738	2.5
153.12796	0.3
155.38474	0.2
169.12242	7.6
170.12547	0.3
171.13829	1.1
179.10646	0.3
181.12297	0.5
183.13818	2.2
197.11787	0.6
199.13327	16.1
200.13599	0.7
201.94681	0.2
215.12822	0.5
245.13918	0.7
253.18071	0.9
255.19655	0.8
270.03519	0.2
273.20709	0.5
275.23700	0.6
299.18558	0.2
301.20300	1.3
315.54633	0.3
319.21259	100.0
320.21594	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12148	0.8
51.91317	0.8
57.03313	9.9
59.01239	1.9
59.98386	1.6
63.81554	1.0
83.04848	1.1
98.03594	1.1
99.04374	98.0
99.06934	1.3
109.30541	1.0
112.35599	1.2
113.79519	1.4
118.87971	1.1
125.09589	7.7
151.11122	2.1
154.27409	1.2
156.22211	1.2
157.08749	1.0
191.14355	7.8
193.12260	27.3
194.12631	1.5
207.50400	1.3
257.22690	1.3
275.20847	1.6
275.23822	10.5
301.21710	9.5
319.22794	100.0
320.23087	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.94192	1.3
55.47522	1.2
56.48222	1.2
59.01234	3.2
62.99140	1.2
66.16007	1.1
69.86543	1.1
75.61971	1.3
75.90102	1.3
78.89717	1.3
106.59491	1.3
119.13927	1.3
121.02737	1.3
139.90698	1.6
156.64743	1.3
193.24399	1.8
236.49095	1.3
247.60597	1.3
249.40863	1.3
272.58365	1.3
275.23743	10.2
319.22797	100.0
320.22977	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	319.2278
Annotation	19-Hete
Peak:m/z	Relative Intensity
55.86687	0.8
55.96244	0.4
57.03315	1.4
59.01237	1.4
69.03298	0.7
71.01228	1.9
72.02026	1.2
79.50086	0.5
87.04383	3.8
88.97587	0.6
97.02821	1.9
97.06444	0.7
101.21331	0.6
106.04104	0.6
109.06504	0.6
123.08005	1.1
137.09607	1.1
148.08853	3.1
149.09584	1.2
150.10406	0.7
151.11179	1.5
156.67929	0.6
163.11201	2.2
165.12749	100.0
166.13075	4.4
177.12733	1.0
179.14433	1.0
190.01424	0.5
191.14320	1.6
208.50105	0.5
230.13170	0.9
233.21672	0.6
240.12317	0.6
245.19006	0.8
247.20683	12.8
257.15482	0.7
257.19022	1.8
259.20923	0.7
275.20193	14.2
275.23749	2.7
283.20679	1.3
286.19290	1.1
289.21744	2.1
291.23337	1.7
301.21744	4.7
319.22781	35.6
320.23077	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	34.3
58.20797	0.9
59.01232	6.0
63.37514	0.9
69.03281	0.8
69.16729	0.9
74.19627	1.0
83.04845	0.9
139.13100	1.2
205.65727	1.1
218.00328	1.2
249.18588	1.7
275.23816	16.6
301.21896	2.3
319.22791	100.0
320.23221	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	321.1241
Annotation	p-coumaroylserotonin
Peak:m/z	Relative Intensity
53.10988	1.1
59.00969	1.9
59.01241	24.7
59.01522	2.7
72.79227	1.1
76.70120	1.1
84.54676	1.1
99.07996	3.3
109.91106	1.3
120.60687	1.1
129.09061	1.8
135.04337	1.7
137.05829	1.5
141.01585	1.7
143.91812	1.2
148.08839	2.7
149.05986	7.0
151.11194	2.3
163.11176	5.7
165.11420	1.5
165.12755	28.5
173.05931	1.7
189.12737	3.6
191.14342	10.5
203.14355	1.7
204.83101	1.4
219.17511	11.3
227.14311	1.6
231.13901	2.6
245.15424	4.9
259.13312	1.4
263.16537	94.2
264.16885	2.6
277.18039	2.2
285.14752	1.6
321.12469	100.0
322.12885	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66802	0.5
56.02700	0.5
58.00452	1.2
59.00038	0.6
59.01241	44.0
60.26666	0.5
69.03320	0.7
71.01237	22.2
72.99165	1.4
73.02802	2.2
75.00758	0.6
75.74433	0.5
80.05679	0.5
83.01246	2.1
85.02808	4.8
87.00723	1.2
89.02293	21.1
95.01227	1.1
97.02804	1.0
97.06471	0.6
99.00738	0.6
99.08028	0.6
101.02303	15.5
104.27354	0.6
113.02306	7.6
113.09599	0.9
119.03349	6.4
131.03348	0.7
141.01807	0.7
141.09087	11.4
149.05981	0.7
159.10172	9.4
159.11400	1.0
180.77986	1.5
321.15579	100.0
322.15884	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	321.2072
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
57.03317	10.4
59.01245	9.4
69.03315	5.1
71.01231	13.5
71.04866	3.4
72.02013	16.8
73.02802	17.5
78.95757	31.9
79.95608	3.3
80.96356	1.8
81.03309	2.4
83.04863	3.4
85.06450	2.0
87.04370	100.0
95.04877	6.5
97.06456	6.6
99.04385	5.0
99.08007	5.0
101.02316	1.6
109.06461	7.0
111.08046	2.1
113.09572	2.5
121.06433	3.0
123.08041	3.1
125.09575	4.0
135.08052	3.9
137.09612	3.9
139.07532	19.9
141.01561	2.6
153.09105	23.5
157.66760	1.7
167.10716	2.1
177.16380	12.7
205.19550	3.4
209.09485	2.2
233.19077	23.1
241.19630	8.0
249.18608	7.5
259.20660	23.0
263.20007	2.5
277.21735	33.4
278.22159	1.8
279.04703	1.7
321.13379	5.4
321.21634	16.3
321.24411	19.8
322.24600	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	321.2072
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
57.75428	0.2
59.00156	1.3
59.01242	100.0
59.02497	1.7
60.01575	0.6
65.18202	0.2
87.17374	0.2
103.03841	1.9
141.01579	0.4
164.85037	0.2
164.93033	0.2
180.75873	0.9
206.32257	0.3
219.17473	0.3
252.25670	0.2
260.25491	0.2
275.42453	0.3
277.18146	1.0
277.21667	0.4
321.20724	64.5
322.21051	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	321.2436
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
54.30136	0.7
54.57525	0.7
57.03329	4.1
59.01236	3.9
63.01414	0.8
69.03317	4.5
71.01230	2.9
71.04877	1.2
72.02016	4.3
73.02809	1.5
82.31850	0.9
83.04871	1.4
83.37416	0.8
85.06477	1.3
85.89184	0.7
87.04376	10.6
93.03327	1.0
95.04884	4.3
97.06446	4.2
99.08012	1.4
111.08020	14.5
113.09599	7.4
123.07984	1.4
139.07520	1.5
139.11197	1.6
141.01587	1.9
149.05977	1.6
153.09061	1.3
153.12737	1.4
157.12267	1.5
179.14362	2.9
181.15895	1.4
205.15965	1.4
207.13802	2.6
209.15329	2.1
223.17073	4.4
231.13969	1.1
233.15480	1.5
249.22287	6.4
251.16515	9.6
252.17337	4.2
259.20618	3.4
277.21722	17.1
278.22171	1.4
284.16263	2.8
285.22394	1.2
291.20081	1.0
291.23285	2.6
293.24762	5.4
303.23221	8.9
321.13443	6.6
321.24356	100.0
322.24655	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.68076	0.9
57.03321	6.6
59.01245	6.1
72.99261	0.9
76.82505	0.8
78.95764	7.6
79.00928	0.9
80.22512	0.9
83.04879	1.1
90.98666	0.8
92.31934	0.9
95.21043	0.9
97.06443	1.2
99.08046	1.8
110.97955	1.0
125.02343	1.2
141.01582	1.2
149.05972	2.7
177.12798	2.0
179.08179	1.0
195.13832	37.8
196.14159	2.4
231.13893	1.3
243.96022	1.1
249.14815	1.2
261.22260	2.3
263.20074	1.6
280.64133	1.3
303.23343	12.1
321.13828	6.7
321.24408	100.0
322.24704	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	321.2436
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.78904	1.4
56.54273	1.3
57.03317	5.0
59.01239	11.3
72.02029	2.6
83.04893	5.8
89.22418	1.6
93.15861	1.6
95.04875	3.0
97.06432	2.5
109.06493	2.8
111.08014	8.3
113.09605	2.5
114.11023	1.6
125.09595	5.2
127.11201	2.3
137.06003	1.7
137.09637	2.1
141.01605	4.6
149.05989	5.8
151.11079	1.9
167.14252	1.7
223.17021	1.8
227.22108	1.8
231.13902	3.7
233.15486	3.2
249.22256	3.9
252.17271	2.0
277.21741	21.5
291.23410	2.2
293.25055	2.9
303.23343	8.8
321.13464	18.6
321.24353	100.0
322.24695	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	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
54.96047	0.4
59.01227	1.5
79.95617	0.8
92.86167	0.4
96.95864	21.3
107.73702	0.4
141.01556	0.8
152.89149	0.5
187.78799	0.5
264.80539	0.6
285.24399	0.8
288.29034	0.5
321.20966	17.1
321.24350	100.0
322.21259	1.4
322.24680	6.1
326.53281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21729	0.4
57.35715	0.5
57.55353	0.4
59.01234	2.2
63.53682	0.3
75.00734	1.9
89.02316	1.0
90.03310	0.9
92.04942	0.5
101.02305	0.7
104.04916	2.9
108.36448	0.6
116.04930	1.1
120.04439	0.6
121.11504	0.5
128.05646	0.4
130.02838	0.5
131.03647	6.6
132.04430	62.7
133.04767	1.2
135.02861	2.8
136.44214	0.5
142.04951	0.6
144.04425	0.6
146.02367	0.6
147.03139	3.6
148.03984	2.7
158.02361	0.5
159.03120	0.6
159.98851	1.4
160.03935	100.0
161.04311	4.0
162.05525	1.0
164.42226	0.5
173.04730	1.9
174.05531	5.0
175.02754	0.6
176.03444	1.5
186.01891	1.0
187.06288	0.5
188.03462	1.8
188.07054	2.7
190.05061	0.5
192.02982	1.5
198.05560	1.7
204.02965	95.0
205.03236	2.7
216.06645	2.4
232.02484	2.0
293.17047	0.5
322.05685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.2
61.98692	3.2
89.88702	2.5
92.07133	2.4
106.04129	12.5
106.06439	3.2
116.04933	27.3
118.62386	2.8
128.03456	2.9
144.04410	2.7
145.05228	4.0
181.11101	2.4
194.43738	2.6
197.09624	17.3
222.09219	28.3
234.08942	13.4
237.08943	47.0
260.10568	18.0
264.10126	12.9
274.08524	100.0
275.08768	5.3
281.07996	13.4
292.09552	57.3
293.09961	5.3
310.16583	3.3
318.07425	7.0
318.97574	3.0
321.13705	3.6
322.10593	77.4
322.13989	9.0
323.10730	3.1
341.24438	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	323.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.0
59.80390	0.5
68.01272	3.3
70.02837	4.9
70.13676	0.8
71.01246	1.0
78.95770	3.7
80.43906	0.7
83.52227	0.6
84.00774	0.9
86.02326	3.9
96.95872	92.5
96.96766	4.9
99.00746	6.6
112.00278	0.8
113.98605	1.6
114.01838	100.0
115.02207	1.7
116.04955	1.3
118.79563	0.7
122.05951	0.7
124.00260	5.5
135.04459	1.0
136.04721	0.8
145.07590	1.1
147.05603	1.0
148.03981	1.0
163.05104	1.2
174.03995	37.5
178.08678	1.0
189.06676	0.8
203.08247	2.8
203.84645	0.8
225.06601	1.0
234.67656	0.7
250.07288	1.3
251.07463	3.7
263.06793	11.7
274.03262	0.8
298.62540	0.8
300.11230	0.8
323.02954	2.2
323.08853	57.4
324.09253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91245	0.3
57.39059	0.2
58.99897	0.9
59.01244	100.0
59.02414	1.8
60.01577	0.6
61.98703	0.3
71.01239	4.7
71.77237	0.3
72.99176	0.3
73.02810	1.2
78.95771	2.1
83.01247	0.8
85.02796	2.2
87.00735	0.7
89.02309	3.3
94.75752	0.2
96.96844	1.1
99.00761	0.5
101.02314	4.2
111.00710	0.4
111.01907	0.4
113.02306	2.1
119.03348	1.5
123.04526	0.3
125.02357	0.5
131.03432	0.3
134.04662	0.4
143.03435	0.4
145.81374	0.3
150.05516	0.6
159.02960	0.6
161.04459	3.5
179.05463	0.3
206.42368	0.3
218.08159	0.4
240.85501	0.3
262.07285	1.0
263.11383	7.2
263.14078	0.4
312.31342	0.3
323.03015	0.6
323.13638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88697	1.2
51.95396	1.1
57.59489	1.2
59.01242	8.7
71.01225	2.8
72.99152	2.6
73.49358	1.2
75.00729	4.9
76.20754	1.3
80.58585	1.3
80.62154	1.2
91.46790	1.3
95.04865	1.6
96.95895	1.5
97.06429	2.6
123.85067	1.4
141.09137	1.6
151.11133	2.7
156.13734	1.6
181.12279	3.4
183.13644	1.5
192.11121	1.5
205.91170	1.7
210.12569	6.3
223.13405	2.0
225.11221	1.7
251.20178	5.9
261.18680	3.4
279.19629	10.5
305.17480	3.0
311.13867	1.6
323.18658	100.0
324.19037	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83238	0.3
58.46432	0.3
58.71455	0.3
59.01244	2.5
60.99179	0.4
62.23077	0.3
66.54203	0.3
69.03278	0.3
71.01250	0.7
72.99165	33.8
73.00807	0.7
73.02798	2.2
73.68105	0.3
75.00729	27.6
75.02458	0.4
85.02802	0.5
89.02289	0.5
99.04369	0.3
101.02312	0.3
113.02327	0.9
149.09642	0.6
151.11180	0.4
152.44557	0.3
158.68042	0.3
159.06546	0.4
161.04419	0.7
163.11166	0.8
165.01785	0.4
165.12794	0.4
167.10706	0.5
184.24883	0.3
191.14424	0.6
205.15944	0.4
219.17615	0.4
227.40927	0.3
229.16048	0.3
237.11438	0.4
241.42328	0.3
247.17026	0.8
254.11623	0.4
259.16980	0.4
265.05783	0.6
279.26880	0.6
323.18646	100.0
324.18961	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	323.1864
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
52.42181	0.6
57.03298	2.2
57.83523	0.5
59.01245	4.9
59.92436	0.5
66.65184	0.6
67.93037	0.6
69.03315	6.1
71.04872	7.3
85.02803	1.2
87.04364	2.4
91.65397	0.7
93.03306	0.9
95.04864	0.8
97.06419	1.5
111.08006	1.6
113.02299	1.0
123.08015	0.7
143.53722	0.8
144.99535	0.7
147.11720	0.9
165.12752	1.6
175.14841	1.7
176.21504	0.7
193.15929	2.2
195.66948	0.8
203.14421	1.6
221.15424	20.1
232.42174	0.8
233.19043	1.2
265.14456	3.7
279.19620	1.1
305.17587	2.4
323.18646	100.0
324.18982	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	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92189	1.5
57.03291	1.6
59.01244	16.7
66.85088	1.7
70.08302	1.6
71.01244	3.1
71.26922	1.7
77.90278	1.5
87.09830	1.8
89.02289	4.7
101.02288	2.2
113.02291	4.7
122.85355	1.7
161.04410	3.0
191.14287	2.2
195.13855	10.1
223.13446	8.8
253.14491	2.9
275.20230	3.6
277.34811	1.9
293.21228	50.9
294.21744	3.5
305.21140	4.0
323.22311	100.0
323.25818	7.7
324.22641	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71809	1.0
57.03319	2.4
59.01241	8.5
60.99154	1.1
64.43877	1.0
71.01237	4.4
76.91618	1.2
85.02802	1.5
89.02279	2.3
95.04876	1.2
101.02274	2.1
111.08009	4.7
113.02310	3.0
113.09583	1.6
121.02831	1.4
130.55920	1.2
133.94666	1.2
161.04425	1.9
179.14380	3.2
181.12170	1.7
205.15903	4.9
249.22229	1.9
261.22266	2.6
293.21240	100.0
294.21576	7.5
304.42490	1.2
323.09915	2.1
323.22296	68.3
324.22668	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	323.2592
Annotation	14,15-EE-5(Z)-E
Peak:m/z	Relative Intensity
51.32060	0.5
57.03315	0.7
58.78938	0.6
59.01228	2.4
60.94239	0.6
62.27942	0.6
71.93924	0.6
75.81200	0.7
81.98799	0.6
86.05075	0.5
96.95847	1.3
109.06458	1.1
119.29450	0.7
126.95087	0.7
139.45592	0.7
174.55086	0.7
183.01080	2.1
197.02710	0.8
202.50522	0.7
209.02766	1.0
271.83347	0.7
279.23300	0.9
291.05493	0.7
305.21170	0.8
323.17068	12.0
323.25906	100.0
324.26276	7.0
333.26541	0.7
339.29321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	15-HEDE
Peak:m/z	Relative Intensity
55.01740	0.9
59.01228	0.5
61.76323	0.3
65.14249	0.3
75.01344	0.6
75.01698	0.3
81.78680	0.3
83.04877	5.6
85.05937	0.5
85.06442	10.1
88.66241	0.3
94.04066	0.8
94.45816	0.3
95.04848	0.8
96.95816	0.5
97.06410	0.6
112.01510	1.0
118.34781	0.3
125.09608	0.7
127.07761	0.4
129.52382	0.3
222.49449	0.3
235.20757	0.5
237.22217	2.4
241.21648	0.8
243.67747	0.6
264.18573	0.3
265.14853	0.4
277.25375	1.8
279.26932	100.0
280.27292	5.6
305.24884	7.1
323.25916	37.6
324.26172	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	323.2593
Annotation	15-HEDE
Peak:m/z	Relative Intensity
57.03314	0.3
59.01225	0.5
65.14238	0.5
69.03314	10.2
71.01216	0.7
75.01337	0.7
83.04874	2.3
85.43332	0.3
91.52395	0.3
95.04888	0.3
96.95874	0.4
97.99911	0.4
100.00771	0.3
112.27728	0.3
113.90461	0.3
121.06448	0.6
123.08005	0.5
151.24992	0.3
241.21689	0.6
243.67717	0.5
265.14792	0.5
270.27640	0.3
275.23746	0.4
277.25391	12.0
278.25696	0.7
279.26950	100.0
280.27310	5.7
292.59091	0.3
295.26425	1.3
323.25934	36.7
324.26318	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	324.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	3.0
59.01244	11.4
61.98680	2.8
65.60439	1.8
66.97943	2.0
67.01736	2.2
71.01230	4.0
73.02814	2.3
78.95776	3.4
79.95590	3.9
81.03282	2.7
84.04385	2.6
85.02807	18.3
88.98681	5.7
89.02334	3.5
93.03358	2.0
96.95883	3.4
99.04361	2.3
101.02293	4.6
106.97956	2.8
109.02831	6.8
110.02344	6.7
111.00751	22.8
121.02845	2.9
122.03567	2.9
123.04390	24.0
124.00603	6.5
129.01784	10.3
130.08607	14.5
131.03590	2.2
135.04384	4.8
137.02312	3.3
148.03929	8.2
149.02295	5.9
149.04758	13.6
150.05499	100.0
151.03906	4.7
151.06079	2.6
152.03432	3.3
152.07109	3.0
159.04407	3.2
161.04549	2.7
162.05475	6.4
163.11224	15.1
164.03387	2.6
171.14748	2.2
173.00839	6.2
175.07608	5.5
176.03490	8.2
192.06615	3.0
194.08174	8.0
195.04439	4.2
200.07274	2.5
208.14429	2.2
218.08212	36.6
220.06116	5.6
224.33919	2.5
234.04248	2.7
244.06117	5.1
252.08842	3.3
262.07233	59.6
263.07654	4.4
268.76871	2.2
280.08286	6.0
298.11136	2.4
324.07193	15.7
325.10818	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1242
Annotation	Isolaureline N-oxide
Peak:m/z	Relative Intensity
57.97429	1.1
59.01232	1.7
61.98659	0.6
75.23421	0.5
75.65761	0.6
89.02329	0.7
93.03313	1.7
106.04105	15.4
108.02029	2.7
119.04899	2.5
138.03133	1.3
143.67967	0.7
146.09619	0.8
157.19089	0.7
160.07559	1.5
163.11211	1.0
174.09154	39.7
175.09456	1.0
218.08177	2.7
222.03236	0.7
239.03389	1.1
252.13823	1.1
267.02939	1.4
278.11981	1.3
280.13428	37.3
281.13788	1.3
324.12427	100.0
325.12805	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72904	2.0
57.03315	5.7
59.01239	18.5
65.17641	2.2
68.99686	4.3
69.03311	11.9
70.95775	2.2
71.01241	16.9
71.04865	3.4
73.02803	7.2
76.47431	2.1
79.05371	3.4
81.03319	24.5
83.01232	5.6
83.04874	33.8
85.02811	50.5
87.00723	5.2
89.02346	3.5
93.03310	19.7
95.01217	4.3
95.04884	23.6
96.96832	8.2
97.02800	17.3
97.06440	5.2
99.04379	19.4
101.02306	3.5
107.04878	19.5
108.02026	81.4
109.02118	4.7
109.02815	70.2
109.06416	2.6
109.69148	2.4
111.04361	13.4
113.02287	3.5
113.05964	15.9
119.04897	25.4
121.02826	38.6
122.03621	8.0
123.00712	3.7
123.04387	100.0
124.01538	15.2
125.02336	16.0
125.05953	60.3
125.06835	4.4
126.03071	3.0
127.03898	7.7
131.04909	9.5
133.06436	4.4
134.04601	20.9
135.04375	22.7
137.02328	21.7
137.05991	7.6
138.03133	3.3
138.06181	2.9
139.03883	8.6
141.05464	10.8
143.04951	3.3
145.02917	2.9
145.06448	2.7
147.04420	6.0
147.08057	2.7
149.02377	2.9
149.05975	7.5
150.03152	3.9
151.03900	12.1
153.05455	9.0
157.06538	5.7
159.04410	18.3
159.08025	4.4
161.06000	9.2
163.03897	4.9
163.07516	6.6
165.05510	4.7
167.03409	8.8
169.04941	29.0
169.81003	3.1
171.08026	3.9
173.06001	10.1
175.07506	22.5
177.05484	20.0
179.07050	5.8
182.02138	3.5
183.08083	3.3
184.05226	2.4
185.06036	4.9
187.07477	3.7
189.05466	6.0
193.08638	6.3
199.07617	7.3
201.05521	8.0
201.09158	3.5
202.06216	4.0
203.07098	13.3
217.08720	9.7
219.06671	3.8
219.10156	6.6
221.08194	4.5
222.09142	2.9
227.07132	26.7
229.08640	3.9
245.08191	50.5
246.08600	5.1
261.11841	2.8
261.32626	2.8
263.09290	8.6
271.06204	3.1
274.08450	3.2
276.31104	3.0
281.10391	4.2
281.68890	2.7
289.07269	8.9
292.09378	3.3
307.07861	3.9
325.09262	20.2
348.50916	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01231	1.0
61.41267	0.2
63.75295	0.2
66.68073	0.2
66.80994	0.2
74.16541	0.2
90.52806	0.2
90.72711	0.3
93.03324	0.5
108.05558	0.5
112.69202	0.2
117.03371	0.3
119.01322	1.0
119.04892	100.0
119.07977	1.0
120.05228	2.9
121.02774	0.2
134.04596	3.8
134.05544	0.3
161.06004	0.3
162.98167	0.7
163.03906	77.2
163.11172	2.1
164.04250	2.7
165.74318	0.2
193.12228	0.3
264.89520	0.2
325.09497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81265	0.1
59.01215	0.2
59.74488	0.2
66.31966	0.1
71.93084	0.1
72.99155	0.2
79.40453	0.1
79.95581	1.3
117.01832	0.4
119.04889	1.2
124.65297	0.1
134.04594	0.6
155.98769	0.2
163.11203	1.8
170.00334	0.6
183.01128	40.2
183.07829	0.5
183.57880	0.1
184.01903	12.7
185.02199	0.2
197.02678	1.6
198.03203	0.1
211.04202	0.2
216.00917	4.1
216.02834	0.3
225.05829	0.3
237.11328	0.2
237.22269	0.6
239.07465	0.4
251.23878	0.3
253.09009	0.2
253.21881	0.2
261.22253	0.5
266.72903	0.1
267.10382	0.2
281.24835	2.7
325.18439	100.0
326.18765	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17485	0.1
59.74470	0.3
59.74728	0.2
79.95569	1.9
79.95948	0.2
80.96414	0.1
94.45371	0.1
101.61153	0.1
117.01798	0.4
119.04894	2.3
128.33847	0.1
134.04672	0.6
138.02719	0.1
163.11224	0.7
170.00339	2.2
176.94827	0.1
182.73405	0.2
182.94278	0.6
183.01125	60.8
184.01521	1.8
197.02698	4.1
198.03387	0.5
211.04266	0.3
212.05022	0.3
216.00960	0.3
225.05873	0.9
226.06390	0.2
231.54306	0.1
239.07440	1.0
253.09077	0.2
261.22290	0.3
325.18439	100.0
326.18759	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.75143	0.6
53.80210	0.6
57.03258	0.6
59.01161	1.9
62.78007	1.5
62.78326	1.5
67.43918	0.5
71.01160	6.9
71.04824	1.1
72.01942	1.7
72.99666	0.5
73.02756	1.1
79.57252	0.6
80.02476	1.2
81.03254	1.0
81.06896	0.7
83.04795	3.1
84.02027	4.1
85.02740	1.3
95.04803	1.9
97.02773	0.8
97.06351	2.7
97.06903	0.8
98.03533	1.0
99.04325	1.6
99.07928	2.6
101.43256	0.6
106.04076	0.7
107.04750	0.6
109.06371	2.0
111.07936	1.9
112.05083	1.8
115.07417	2.3
118.96938	0.8
121.02812	1.0
125.05887	0.8
125.09589	6.2
127.07516	18.5
127.11057	0.8
134.04478	2.2
135.07964	2.3
137.09561	1.4
139.07541	4.2
141.09029	0.8
141.12700	1.4
153.09116	13.1
155.10640	3.0
163.11176	10.8
165.12720	3.0
171.10168	13.6
178.09821	2.9
181.12180	0.8
185.10178	1.1
185.11743	19.4
191.10583	1.8
191.14247	1.8
193.12279	1.2
197.11763	18.7
198.12061	0.9
207.10156	1.7
209.11777	70.4
210.12082	1.8
221.11696	0.6
225.11143	0.7
236.10481	1.4
237.11269	0.9
238.12080	7.1
239.16388	1.2
245.19244	3.3
251.16380	1.0
253.17892	0.8
256.13171	4.6
263.20090	1.4
265.18036	1.2
265.96277	0.7
279.19794	1.5
281.21234	1.1
289.18130	11.9
292.91675	0.7
297.20422	0.9
307.19165	100.0
308.19550	5.5
325.20218	34.7
326.20529	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	2,3-Dinor-11b-PGF2a
Peak:m/z	Relative Intensity
51.80759	0.4
53.16094	0.4
57.03308	0.5
58.57095	0.4
59.01231	1.7
66.84717	0.4
69.03318	0.5
69.85271	0.4
71.60720	0.4
72.99168	19.9
73.02798	0.7
74.98885	0.7
75.00732	48.1
75.02371	0.9
83.04874	0.6
91.59740	0.4
97.06428	0.6
101.05956	0.4
109.06463	0.6
110.22792	0.4
111.07992	1.2
113.09506	0.5
121.02804	0.8
123.08035	0.5
134.04616	3.5
136.24574	0.4
156.62544	0.4
157.08623	0.6
163.11188	11.8
165.12762	0.5
171.10178	1.2
183.01154	2.5
187.09662	0.6
193.12265	1.0
209.11853	0.6
213.11296	4.6
227.12807	2.3
251.09117	0.6
256.13147	1.7
263.20160	7.6
263.57382	0.6
277.66324	1.2
281.21201	3.5
289.17975	0.6
307.19083	2.2
325.14853	4.9
325.20224	100.0
326.14893	0.6
326.20560	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	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36279	0.9
59.01237	2.2
69.55401	0.9
75.34967	1.1
89.99480	1.0
97.59108	1.2
102.04086	0.9
112.26023	0.9
124.40796	1.0
134.04601	14.0
163.11177	8.2
178.59468	1.1
181.12202	1.4
183.01270	1.3
193.15895	1.6
197.15375	2.9
207.13800	2.1
225.14929	61.3
226.15308	3.4
277.21835	5.3
295.22797	77.2
296.23074	2.5
307.22800	3.2
325.23880	100.0
326.24179	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	326.1763
Annotation	Spirasine XII
Peak:m/z	Relative Intensity
51.68759	0.7
59.01236	4.3
62.71506	1.0
64.20863	1.0
67.97436	0.9
82.33533	0.9
88.06820	0.9
97.05033	0.9
102.14268	1.0
106.04109	5.7
134.04597	28.2
168.91321	2.4
176.14336	4.4
189.89995	1.1
210.38953	1.1
268.17194	1.1
280.17020	2.2
282.18555	10.2
326.17633	100.0
326.34161	1.5
327.17963	6.1
332.08395	1.4
342.88190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68048	0.4
59.01233	1.7
63.02260	0.8
65.00192	1.5
76.10325	0.4
83.01249	0.8
83.04865	0.5
104.22394	0.5
107.01257	2.8
117.02548	0.9
117.03323	10.3
117.04077	0.8
118.03577	0.4
121.02833	0.6
134.04613	5.4
135.05042	0.5
141.19038	0.4
149.02321	5.2
151.00261	5.8
159.04381	1.6
168.91315	1.0
170.29750	0.4
181.06497	0.9
183.04443	1.0
197.05908	0.7
201.05527	1.3
218.37967	0.5
225.05452	2.5
227.03427	1.3
245.07744	0.5
248.54279	0.5
250.00572	0.5
252.97635	0.5
269.04562	100.0
270.04898	5.3
327.12604	0.9
327.18030	0.8
327.21744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.71706	0.5
55.62817	0.4
59.01242	17.7
59.02382	0.5
61.98701	0.7
62.64357	0.4
71.01237	1.4
71.36732	0.5
77.66155	0.6
93.03317	6.4
101.02275	0.9
121.06456	6.5
126.90262	0.6
134.04616	2.8
135.05022	1.2
145.31743	0.6
165.05475	100.0
166.05836	2.8
195.98785	1.1
251.09778	0.6
270.17493	0.6
327.11072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1351
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
50.01192	0.2
58.01580	0.3
58.02842	19.2
58.03967	0.4
59.01241	0.5
70.01165	0.3
70.02837	26.3
70.04331	0.6
71.03194	0.4
78.87938	0.3
84.21195	0.3
92.96963	0.3
95.98034	0.8
96.00768	100.0
96.03181	1.7
96.99174	0.9
97.01103	1.3
106.04105	20.7
106.06467	4.2
107.04418	0.4
108.02017	2.6
113.98367	0.5
114.01833	39.7
114.04961	0.6
115.02187	0.5
118.06492	3.1
132.08061	0.7
134.04617	0.3
138.03114	1.1
149.36066	0.3
155.23477	0.2
160.07594	0.7
161.55429	0.3
162.05482	0.3
164.15698	0.3
166.67957	0.3
198.89253	0.3
212.10753	46.6
213.11087	2.7
224.10771	15.3
225.11137	0.9
237.30692	0.3
238.12369	3.2
266.11844	1.0
267.11404	3.7
268.09521	1.5
283.14706	0.4
309.12476	21.9
310.12766	1.0
327.13519	69.6
328.13831	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	327.1967
Annotation	Longithorol C
Peak:m/z	Relative Intensity
51.26309	2.0
57.03319	3.7
59.01241	10.5
62.55613	2.5
69.03321	7.1
69.42720	2.4
71.01253	2.5
84.21568	2.7
89.30194	2.9
92.75893	2.6
93.03339	3.5
95.04881	56.5
97.02805	27.0
97.03312	3.1
103.34138	3.5
122.03624	4.1
123.04388	100.0
124.04654	2.7
130.04826	2.8
134.04617	4.6
163.11191	5.9
168.91362	7.6
173.13242	6.3
199.00623	3.0
258.12683	5.5
283.20734	9.9
327.16278	3.6
327.19693	50.9
327.25500	9.1
328.20105	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.51524	0.2
53.17492	0.2
56.99739	0.2
59.01234	0.6
59.98381	0.2
62.49573	0.2
72.99166	25.2
73.00845	0.4
73.02812	1.3
74.99193	0.8
75.00731	57.5
75.02503	1.0
76.01066	0.4
79.51188	0.3
83.04877	0.5
83.60194	0.2
84.19956	0.2
90.37280	0.2
91.72787	0.2
95.76978	0.2
97.06448	0.3
99.08002	0.2
113.09574	0.6
134.04617	0.4
135.90169	0.3
140.06050	0.2
163.11186	0.3
168.91336	0.5
181.12355	0.3
199.00636	1.0
232.11337	0.3
245.19119	0.3
262.11691	0.3
276.08685	0.8
278.18597	0.2
292.69458	0.2
309.20645	0.3
327.21790	100.0
328.22128	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03307	2.0
59.01231	3.5
66.02975	0.7
69.03315	2.0
71.01241	0.8
80.35869	0.8
82.94816	0.7
83.04878	2.6
84.01962	0.8
84.71929	0.9
85.02805	11.8
97.02809	2.0
97.06451	3.2
103.86183	0.7
106.04107	4.8
108.02058	1.4
124.78106	0.7
125.09582	1.2
127.11121	1.9
132.07999	1.1
134.04597	4.8
134.09653	4.8
135.04982	1.7
137.09610	3.9
160.07585	4.8
165.12712	1.0
165.72717	0.8
168.91354	0.9
171.10176	28.9
183.13895	3.9
193.12315	1.2
210.09109	1.2
211.13338	18.4
212.10852	1.6
212.13670	1.0
215.55106	0.8
221.11775	3.2
229.14427	12.2
238.12360	2.0
239.12843	2.1
240.13989	3.1
256.09869	5.4
266.12033	1.4
284.12918	30.1
291.19601	2.7
327.21799	100.0
328.11923	22.0
328.22180	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	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
57.13213	0.2
59.01236	0.3
66.52875	0.2
67.29948	0.2
67.32492	0.2
71.01245	0.2
83.65807	0.3
84.24511	0.2
116.37720	0.2
129.08960	0.2
183.23283	0.3
185.00705	0.6
279.26904	0.6
281.28513	7.8
282.28629	0.4
309.27914	1.0
325.27524	0.7
327.29059	100.0
328.29391	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
57.15219	0.8
92.22740	1.1
137.63838	1.1
138.91832	1.6
185.00703	2.4
279.26956	4.9
281.28503	57.4
282.28891	3.7
309.28040	2.1
325.27295	1.5
327.18430	6.9
327.29077	100.0
328.29196	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.74294	0.7
59.00062	1.9
59.01242	100.0
59.02534	1.3
63.18031	0.7
65.34264	0.8
68.54498	0.8
76.41776	0.8
110.05256	0.9
119.21900	1.1
162.83907	1.2
178.25203	2.0
327.18344	2.9
327.29068	72.1
328.29425	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	328.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	7.1
68.18325	1.3
70.60039	1.2
75.00733	1.4
75.73691	1.2
93.03281	1.6
98.22022	1.5
106.04089	12.7
108.02019	2.7
134.09630	13.7
138.03136	1.3
142.48143	1.4
160.07578	16.7
171.10112	3.2
211.13359	1.8
212.10783	3.4
212.13701	1.9
220.39111	1.6
229.14464	2.7
238.12372	7.5
240.13879	9.2
256.09744	13.7
265.70770	1.6
266.11948	4.4
284.12936	100.0
285.13339	4.1
307.42508	1.5
318.68945	1.7
327.21814	8.2
328.11929	70.4
328.22058	9.1
329.12073	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	328.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21864	1.0
57.83227	1.1
59.01023	1.2
59.01244	14.9
63.68285	1.1
71.00869	2.4
71.01239	29.5
106.04099	18.6
106.06468	4.7
108.02052	3.1
115.00228	19.3
134.09659	3.4
138.03110	1.4
148.69815	1.4
160.07587	2.7
186.54938	1.3
212.10757	40.5
213.11182	1.7
224.10855	6.9
238.12407	5.3
240.13866	3.0
266.11996	6.8
284.12952	26.1
310.10925	9.4
328.11926	100.0
329.12228	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.28379	0.4
54.13995	0.3
59.01240	3.6
61.98688	0.3
71.00887	0.3
71.01245	1.1
73.02795	0.6
74.87790	0.2
75.00731	1.3
78.69795	0.3
78.95786	0.5
85.02814	0.9
89.02296	0.3
93.03323	0.3
95.01267	0.5
96.95898	0.3
101.02304	0.6
108.02030	59.2
109.02370	0.9
112.20496	0.4
113.02336	0.4
114.05436	0.3
119.92539	0.3
123.00732	0.5
123.04385	23.1
124.04712	0.7
144.93414	0.3
147.47763	0.3
149.02420	0.3
149.04453	0.4
150.05328	0.4
152.01041	41.7
153.01411	1.0
166.97502	1.0
167.03401	100.0
168.03711	2.5
191.75679	0.3
204.67995	0.3
209.04454	0.3
262.26639	0.3
264.97226	0.3
329.08844	0.6
333.00922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.26773	0.5
53.95502	0.5
55.01743	0.6
59.01246	4.1
59.66018	0.6
60.66181	0.5
61.98695	0.9
62.43965	0.6
63.72988	0.5
68.01297	0.7
68.99682	1.0
71.01237	8.5
71.31142	0.5
72.99158	1.1
73.02807	5.1
75.00731	1.7
78.90181	0.5
78.95757	0.7
79.75599	0.5
79.95583	0.5
80.26992	0.5
80.44425	0.5
81.03314	0.8
83.01239	1.9
83.04856	0.7
85.02291	1.2
85.02805	24.4
88.03889	0.7
88.07684	0.6
89.02312	0.7
91.07226	0.6
92.32019	0.6
93.32751	0.6
95.01250	1.2
96.96815	1.0
97.02803	0.7
98.02326	1.4
99.00726	2.1
99.04420	0.8
101.02281	5.8
105.01801	0.7
108.02032	24.2
109.02809	2.3
111.00748	1.7
113.02297	4.7
115.00249	2.0
117.01805	4.4
121.02839	2.6
122.03604	100.0
123.04413	24.5
124.00253	1.1
125.02335	1.2
128.03407	2.0
129.01811	13.0
133.01320	5.9
135.04398	1.7
137.02327	1.5
137.05971	1.2
138.05504	1.0
143.03357	1.1
147.04425	1.8
148.00372	0.9
152.01051	14.7
154.99727	1.1
158.99609	1.2
159.02917	1.5
161.04451	9.2
165.05487	5.1
165.06700	0.9
167.03401	37.3
169.02452	0.8
172.97598	3.6
173.00819	6.3
175.99832	1.1
177.00603	2.2
177.05588	1.5
182.00862	0.8
184.06032	1.0
184.97621	2.4
191.04631	0.7
228.96640	1.4
257.03302	1.9
262.85907	0.7
266.98257	1.7
270.02615	1.0
284.99347	1.0
285.09805	1.9
329.08160	9.9
330.04730	1.8
330.76804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53460	0.4
57.03319	9.4
59.01237	2.4
62.54849	0.5
62.55629	0.4
67.05396	0.6
69.03314	3.6
71.04877	9.0
71.47563	0.4
76.24155	0.6
76.24532	0.5
83.04889	3.9
93.03389	0.7
93.06971	0.6
95.01247	0.5
96.02034	0.5
97.02808	16.5
97.06481	1.0
107.08532	3.3
108.02040	0.8
109.06458	1.7
111.00755	0.9
111.08000	1.0
119.08524	0.6
121.02804	0.7
121.10112	3.0
122.03622	2.2
123.07996	0.6
133.10139	0.9
135.04391	1.2
147.11676	2.9
149.05840	0.5
153.97325	0.5
161.05907	0.5
161.13290	0.7
191.14343	1.5
211.20609	1.2
212.30437	0.5
227.18047	3.2
253.25357	0.7
267.21072	4.9
267.23343	0.7
271.17050	17.3
272.17227	0.7
279.23334	0.8
281.22321	0.4
281.24857	20.5
282.25278	1.7
283.26437	31.1
284.26862	1.0
285.22241	2.1
311.20184	10.2
311.25894	1.1
312.20645	1.0
329.21194	25.7
329.27014	100.0
330.21487	1.3
330.27325	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23077	0.6
57.03316	8.7
59.01237	3.1
59.09920	0.6
59.21486	0.6
63.71727	0.7
69.01804	0.6
69.03313	28.9
71.04871	1.0
77.10549	0.7
79.33683	0.6
81.03295	0.8
83.04874	3.9
87.02898	0.7
93.03316	1.3
95.04893	2.1
96.01999	0.9
97.00307	1.7
97.02809	100.0
97.06417	1.5
98.03147	1.7
99.04381	2.5
107.04937	0.8
107.08503	1.6
108.02016	1.5
109.02817	2.0
109.06464	5.1
111.00751	1.1
111.04358	1.5
111.08029	2.8
114.97442	0.7
115.03867	2.1
121.02845	2.1
121.06453	0.8
121.10099	2.4
122.03621	3.0
123.07986	1.2
125.06008	1.9
135.04385	4.0
135.07997	1.4
136.05121	1.2
137.09557	1.1
147.11690	2.7
148.05222	0.8
149.05968	1.7
151.07498	1.0
151.11186	1.0
159.11723	1.2
161.13278	1.5
163.07533	0.8
163.11140	1.2
177.09087	2.5
195.61868	0.8
205.12291	1.5
213.12804	0.9
215.14337	3.3
216.11552	1.7
217.12318	2.5
228.90437	0.8
231.13869	7.2
233.00237	0.9
259.13422	6.8
260.14127	3.4
267.21216	3.1
269.19025	1.1
281.24857	0.9
283.26328	1.5
285.18951	1.4
285.22220	13.9
286.22623	1.4
287.20145	1.1
301.21790	1.1
311.20178	13.6
312.20639	1.2
329.21234	88.5
329.26770	8.3
330.21588	5.8
352.90399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2124
Annotation	Jasmolin I
Peak:m/z	Relative Intensity
50.62695	0.8
54.41256	0.6
59.01241	1.5
64.96004	0.5
66.69383	0.5
67.01751	0.7
76.05346	0.4
77.36372	0.4
111.72321	0.5
121.02863	0.5
123.00745	30.5
124.01540	19.5
137.02319	34.0
139.03867	1.1
151.03891	2.1
153.83353	0.5
156.00534	1.4
179.07002	2.6
193.08649	0.9
221.11824	2.1
248.27019	0.6
259.20856	0.6
273.15097	1.7
276.94476	0.7
308.38214	0.6
327.19296	0.9
329.21237	100.0
330.21631	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	329.2123
Annotation	17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
57.03076	1.6
57.03317	24.8
59.01228	5.8
59.84993	1.2
69.03304	9.0
71.04868	1.6
83.04881	5.7
83.06947	1.4
95.04878	4.9
97.02807	40.5
107.08484	2.2
108.02050	1.5
109.06474	2.9
111.08019	49.0
111.08803	2.5
122.03614	4.3
122.63983	1.3
123.08025	2.5
125.09602	16.6
135.08023	1.7
144.37442	1.4
161.09651	1.9
161.13202	2.6
161.32843	1.5
203.10660	4.0
219.13884	3.9
271.17200	2.5
285.22266	21.5
287.20410	2.0
293.21378	1.6
311.78113	1.6
329.21234	100.0
329.27600	2.8
330.21576	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	329.2488
Annotation	17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
Peak:m/z	Relative Intensity
56.03131	6.0
56.32771	8.1
57.03312	8.1
59.01240	24.2
70.46065	7.2
71.01236	20.7
72.02023	22.2
73.02804	31.7
87.04375	98.3
87.66454	7.1
114.33347	8.1
135.01614	8.0
139.07542	19.4
149.13252	7.3
167.10703	8.0
175.14830	21.4
189.16451	22.0
229.19711	11.9
257.22681	18.6
279.05130	7.7
285.22321	13.5
311.23709	36.1
329.24866	100.0
329.28479	16.4
345.16190	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	329.2487
Annotation	7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid
Peak:m/z	Relative Intensity
50.49977	0.8
51.05141	0.7
55.15649	0.8
59.01236	5.3
71.01226	1.5
95.45333	0.8
123.00735	1.5
125.56073	0.9
130.20412	0.9
139.03813	1.4
214.04381	1.0
221.15221	1.4
231.21141	2.9
251.20174	2.0
268.78735	1.1
285.25980	8.3
310.53796	1.2
329.21384	6.3
329.24835	100.0
330.25235	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2698
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
57.03322	3.0
57.06416	0.3
59.01231	1.8
69.03301	1.0
71.04876	0.8
75.95934	0.4
76.24132	0.7
83.41468	0.4
88.79937	0.4
94.99604	0.4
97.02795	1.2
130.30342	0.5
170.90944	0.5
225.05371	0.4
239.20099	0.6
253.25369	0.9
267.23257	0.7
279.23352	1.0
281.24863	21.1
282.25256	1.2
283.26428	29.8
284.26810	1.9
311.20328	0.6
311.25864	1.1
329.26984	100.0
330.24301	0.5
330.27405	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	330.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71003	0.9
59.01228	3.7
61.98684	1.7
62.29374	1.0
65.99712	1.7
66.03337	1.8
67.11397	1.1
68.01267	5.7
68.99674	11.9
70.02833	1.1
71.01234	3.1
72.99189	1.2
75.00728	1.1
78.95760	7.2
82.02827	3.2
82.99971	1.5
83.01209	2.6
84.00756	3.1
85.02792	3.4
86.03151	1.2
87.00278	1.1
87.00702	6.3
94.02841	5.1
96.00784	3.8
96.04413	4.1
96.95876	6.1
96.96809	2.1
96.99170	8.2
97.02781	1.4
98.02329	2.3
99.00741	10.2
101.02271	1.5
101.47617	1.0
108.02049	5.8
109.02820	1.7
110.02354	7.7
111.97176	1.0
112.00272	10.9
112.03909	2.8
113.53549	1.1
114.01794	1.9
115.00223	3.3
118.44769	1.0
122.02345	3.7
122.03580	4.9
123.03893	2.6
124.00278	17.7
124.03886	5.4
125.02348	1.5
126.01865	8.3
127.00212	4.6
127.91915	1.2
133.01315	2.1
134.04585	3.3
138.01839	11.2
140.03444	9.0
152.03345	1.4
152.07022	1.1
154.99695	1.5
157.01350	1.5
159.02866	3.0
161.04472	2.2
166.01373	3.6
168.02907	21.1
173.00731	1.6
176.99539	2.5
177.87273	1.2
184.02473	9.9
186.03998	17.9
194.04836	5.0
195.00539	1.8
196.02386	2.7
198.03975	7.4
205.95494	1.2
210.00281	1.5
226.03523	7.0
242.03069	4.4
270.02557	27.5
270.89777	1.4
271.08325	1.2
330.04672	100.0
331.04962	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	331.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26032	0.8
52.73891	0.7
59.01239	6.2
60.85282	0.8
72.21799	1.0
85.08288	1.0
93.03315	2.6
101.02255	1.1
106.04140	1.2
107.04888	37.1
108.02027	2.9
109.02802	1.6
120.82840	1.1
121.02824	15.1
122.03596	33.9
135.04434	1.2
137.02359	3.6
151.03909	2.1
154.02585	3.6
167.83038	1.1
181.35396	1.1
185.58151	1.1
229.08690	24.8
251.06892	57.8
252.07195	1.9
269.06778	2.0
273.07697	55.8
274.08084	1.7
287.03448	1.7
295.05884	100.0
296.06287	4.5
331.02835	3.3
333.97839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85725	0.8
58.02832	1.7
59.01246	9.1
69.03440	0.9
71.01217	1.4
72.00795	1.4
74.02321	3.4
77.52720	0.9
78.27983	0.9
80.99825	1.0
81.93076	1.0
82.02846	2.0
84.04396	4.7
86.02353	1.1
88.64143	1.0
91.05386	3.9
96.95832	1.1
99.05486	4.5
100.69647	1.0
101.07063	2.0
108.02045	1.6
109.03938	7.0
121.69985	1.0
125.03385	1.2
127.04063	2.1
127.05007	42.8
128.03412	6.1
168.01401	1.7
173.11777	1.4
192.90176	1.0
204.12952	1.2
205.13518	1.5
231.11320	5.6
249.12450	100.0
250.12830	4.6
250.37286	1.3
259.05643	1.2
331.13467	2.4
331.17609	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	331.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97435	0.6
55.01753	1.0
57.03317	2.1
58.00458	1.7
58.99965	1.5
59.01241	100.0
59.02378	1.5
61.98694	0.7
62.95045	0.6
70.99580	1.1
71.01237	68.3
72.01598	1.1
72.99171	4.2
73.02803	8.6
75.00716	1.9
77.53689	0.6
80.37576	0.6
82.02853	0.7
83.01237	7.3
84.02069	0.6
85.02801	19.3
85.04794	0.7
87.00741	3.8
88.70773	0.6
89.02294	86.6
90.02633	0.7
91.73373	0.6
95.01240	4.5
96.96798	1.3
97.02791	1.0
99.00748	3.5
99.92425	3.0
100.99437	0.8
101.02301	54.4
101.04802	0.8
102.02579	1.0
108.02023	2.5
109.02801	0.8
109.57345	0.7
113.02307	33.9
113.11317	0.7
119.03365	37.5
125.02304	1.2
128.03365	0.7
128.17958	0.7
128.68156	0.6
130.08542	0.8
131.03355	3.4
135.82924	0.7
143.03406	4.3
143.06932	0.8
149.04430	3.3
156.51033	0.7
161.04440	8.0
179.05511	6.8
183.55843	0.8
233.13914	1.0
287.14984	3.8
330.19589	0.7
331.09991	1.3
331.13724	4.0
331.17548	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02076	2.5
59.01246	15.6
61.54252	2.7
61.98672	2.7
63.50339	2.9
71.19788	2.7
87.04363	34.6
97.52413	3.3
108.02023	9.9
153.12741	60.7
153.13907	5.3
163.11188	12.9
169.12222	9.2
181.12288	22.5
197.11763	6.1
199.13351	36.5
207.18513	3.1
215.12956	5.2
225.11296	26.4
238.42088	3.5
243.12366	100.0
246.13835	3.1
257.08328	5.1
259.13586	3.0
261.13422	25.8
331.17639	42.9
349.81128	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35812	1.0
59.01242	25.2
59.01509	1.8
91.72732	1.2
92.92729	1.6
108.02066	1.6
114.34294	1.1
124.32941	1.4
143.65660	1.2
213.48204	1.4
220.28322	1.3
249.18585	100.0
250.19028	4.5
331.19003	15.0
331.22742	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	331.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20046	0.6
59.01241	1.5
71.01223	1.8
95.04886	1.2
99.14294	0.6
108.01991	0.7
125.02299	1.2
126.03091	3.8
139.03891	21.3
152.37541	0.7
153.05472	2.2
158.02094	5.7
181.08606	1.9
195.10266	1.0
197.12099	0.7
223.13390	0.8
225.22272	0.9
241.76036	0.7
271.22754	1.1
331.22797	100.0
332.23199	6.2
345.69427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.228
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
51.20037	0.6
55.05602	0.3
57.03314	2.8
57.07277	0.3
58.93891	0.4
59.01240	0.6
60.46959	0.3
71.01237	19.8
83.04848	0.5
84.01995	0.6
125.02324	1.7
126.03111	4.8
137.02316	0.6
139.02800	1.1
139.03885	21.3
140.04195	0.5
153.05446	1.5
158.02103	5.1
164.51997	0.4
181.08606	1.7
182.56819	0.5
195.10255	0.7
246.27344	0.6
252.92047	0.4
259.20706	0.6
262.15784	0.9
275.16589	0.8
287.23801	3.2
289.21799	2.0
331.22806	100.0
332.23114	7.2
332.48285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47540	2.4
57.03315	20.6
59.01241	9.7
62.17548	2.7
69.03311	9.4
71.57500	2.8
78.86557	2.9
83.04878	6.4
85.02803	3.7
95.75547	3.1
97.02811	47.3
108.02042	5.5
109.06435	4.7
113.09577	27.5
122.03584	4.8
149.13229	4.8
170.97139	3.4
172.05211	3.3
172.06979	3.6
224.84924	3.2
231.13821	10.3
269.22815	13.8
287.23862	7.9
313.21799	33.1
331.18909	6.3
331.22784	100.0
332.23264	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	331.228
Annotation	21-hydroxypregnenolone
Peak:m/z	Relative Intensity
52.63907	1.1
58.69457	1.2
59.01228	2.3
108.02105	1.6
125.02342	1.9
126.03097	3.7
139.03877	21.8
158.02129	4.4
227.22218	1.5
248.77470	1.6
284.50223	1.5
313.89346	1.6
331.22818	100.0
332.23138	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	332.041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94935	0.3
57.63057	1.0
59.01236	0.7
61.98693	100.0
61.99950	2.0
72.38637	0.4
102.02950	0.4
117.03353	1.3
121.32857	0.4
121.67281	0.4
149.02347	0.6
151.00281	0.9
169.12103	0.4
176.00623	0.4
269.04544	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	332.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	8.8
79.05389	11.9
81.03303	16.8
83.03007	2.2
83.04881	54.6
85.02797	11.1
93.03316	16.1
95.04881	4.7
97.06451	4.5
101.02304	3.2
102.75821	2.3
106.04091	5.6
107.03709	19.4
107.04881	97.3
108.02020	15.1
108.04459	5.4
108.05204	3.8
109.02816	47.8
111.04370	4.2
119.04893	27.4
120.04444	6.0
121.02824	28.3
122.03600	24.2
122.05994	5.4
122.13230	2.3
123.04372	10.8
125.05952	100.0
131.03673	5.9
131.04892	6.6
132.04468	12.8
135.04436	4.0
137.02325	5.2
137.05951	29.9
138.05382	3.0
140.41078	2.6
143.04921	3.9
144.04436	7.0
145.05193	4.2
149.04689	8.3
150.05486	74.0
151.03879	43.8
151.05768	2.6
154.02611	3.1
157.06487	7.6
159.08080	7.0
161.05937	4.7
162.05530	9.7
163.03882	13.4
163.06090	3.0
164.07080	7.2
167.03445	3.5
167.10805	2.5
169.04968	84.3
170.05298	2.9
171.08026	3.5
181.04977	15.2
183.08089	6.0
187.07631	3.6
201.09151	11.0
211.07594	16.8
213.09122	6.9
220.41959	2.5
223.07455	3.2
225.09154	33.1
226.09116	2.5
227.10750	4.8
228.10220	13.5
229.08665	59.4
230.08737	3.7
242.25476	2.6
243.10229	18.1
244.09807	4.6
246.11359	3.9
252.10255	12.6
259.41116	3.3
270.11362	26.9
271.09714	4.9
273.07721	11.5
288.12283	13.8
288.77905	3.0
296.09244	23.2
314.10355	87.8
315.08441	3.2
332.11444	39.4
332.16486	7.3
333.01822	2.6
333.11127	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	332.1656
Annotation	(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol
Peak:m/z	Relative Intensity
52.85307	3.3
56.02384	3.4
59.01235	12.7
65.29234	3.7
100.71992	4.3
106.04111	14.8
106.06494	12.1
108.02032	4.4
119.04904	16.5
137.08430	3.9
144.96834	4.5
168.91318	6.2
171.80679	3.9
180.27895	4.1
181.31952	3.9
185.06833	4.6
189.84338	5.0
212.10768	14.9
224.10759	21.2
240.63708	5.3
250.85202	4.6
258.62549	4.5
274.44571	4.5
313.50375	4.7
332.16589	100.0
333.17090	7.8
333.20840	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	333.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20788	0.3
54.35146	0.8
56.79512	0.3
78.95760	95.3
78.97658	1.4
96.96819	22.6
101.35698	0.4
113.30318	0.4
133.68732	0.5
150.97887	1.1
152.99472	76.7
153.99825	1.2
154.06129	1.0
161.43298	0.4
171.00548	8.5
171.37688	0.5
223.00177	0.7
241.01161	39.7
242.01489	0.9
259.02295	2.7
273.53232	0.4
278.55713	0.5
299.89743	1.1
333.05945	100.0
334.06226	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	333.0592
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.09930	0.3
52.06327	0.4
53.17123	0.3
54.35157	0.6
59.01249	2.1
59.09879	0.3
61.98695	6.7
66.97450	0.3
69.54086	0.4
71.01227	2.0
73.01022	2.6
78.94038	1.4
78.95761	100.0
78.97723	1.2
83.01251	0.4
85.45157	0.4
87.00748	0.5
88.87838	0.3
89.02300	2.5
91.51701	0.4
94.83780	0.4
96.96822	23.0
96.99418	0.5
101.02267	0.5
101.98980	0.4
109.06438	0.6
113.02312	0.4
120.01094	0.5
122.03622	0.6
126.90376	0.5
128.03418	1.7
150.97919	1.6
152.07059	2.3
152.94756	0.8
152.99477	78.4
153.07510	0.8
153.99850	1.0
162.21777	0.4
164.80037	0.4
171.00543	10.2
171.07701	0.8
183.65887	0.5
223.00072	1.1
241.01167	38.4
242.01447	0.6
259.02255	2.4
281.68246	0.4
299.89755	1.1
333.05957	99.4
334.06366	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	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	9.5
61.98677	1.9
71.01234	2.4
80.04929	2.3
83.04871	4.4
85.38985	2.0
101.02294	4.6
108.04416	3.2
112.93657	4.8
116.04928	2.7
120.04393	3.9
121.04821	3.0
122.05970	3.6
125.05994	5.1
132.04445	6.6
134.05978	3.4
150.05527	6.2
151.05832	2.5
152.03380	3.5
168.06677	2.4
169.04939	3.8
179.66580	2.3
184.07655	2.7
185.09718	3.1
200.10876	3.2
212.05850	6.5
213.06653	8.8
215.08026	2.6
225.10263	2.4
227.08224	28.1
228.08899	37.3
229.09779	7.9
243.11374	7.6
245.13101	2.9
259.10718	3.7
271.10907	100.0
272.11267	10.0
275.09265	4.7
289.11972	41.8
290.12527	2.9
333.10785	5.1
333.15411	6.2
333.19141	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	333.1134
Annotation	Isopongaflavone
Peak:m/z	Relative Intensity
59.01232	2.2
61.98687	0.6
62.17006	0.6
67.54597	0.6
78.94788	0.8
93.03300	1.9
99.68250	0.6
106.93135	0.7
107.04888	24.5
114.39023	0.7
119.57581	0.6
121.02820	99.8
121.09353	0.7
122.03127	1.0
123.00393	0.7
163.07593	0.6
168.91319	1.6
196.09604	0.7
206.02742	0.7
225.05508	0.8
226.06314	11.4
258.05365	9.3
269.19135	1.0
272.80396	0.9
289.12347	0.9
333.11356	100.0
333.20523	15.2
334.11462	5.7
334.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01243	42.4
59.02380	0.8
60.71189	0.8
66.13369	0.8
71.01239	18.8
72.99158	1.5
73.02812	1.8
85.02824	4.4
87.00741	1.1
89.02300	23.1
91.03857	3.1
95.01249	2.2
101.02301	14.1
113.02298	7.8
119.03369	10.1
131.03442	0.9
139.11177	1.4
141.12737	9.3
147.97789	0.9
151.11186	1.3
152.08719	1.0
153.05469	1.2
153.09111	13.3
153.12781	1.1
161.04460	1.0
169.12242	43.0
170.12508	1.3
175.04033	1.0
187.13310	2.0
213.11217	1.7
215.12837	55.4
216.13228	1.7
241.10789	3.6
259.11868	44.9
260.12027	2.0
270.20886	0.9
290.20633	1.0
333.15591	100.0
334.15857	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	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32069	0.3
54.35357	0.4
55.01760	2.1
56.52416	0.4
57.03317	4.4
57.76303	0.4
57.95066	0.4
58.00468	0.6
58.99971	0.6
59.01243	34.4
59.02402	0.7
66.01595	0.4
69.03318	0.7
71.01240	35.5
72.99175	2.2
73.02806	20.9
75.00742	1.4
77.13367	0.4
80.04926	1.4
81.03313	0.4
83.01241	12.1
85.02808	23.0
85.99976	2.3
87.00751	2.3
89.02293	3.9
90.38235	0.5
95.01252	2.3
96.67836	0.5
97.02823	1.3
99.00735	7.1
99.04375	0.6
100.99445	0.7
101.02302	47.1
101.04907	0.9
108.04431	0.9
111.00763	1.7
111.10600	0.4
112.31341	0.5
113.02307	16.4
119.03409	0.5
122.05978	0.7
123.07980	0.8
125.02353	0.5
129.01845	1.4
129.10225	0.6
134.05994	0.9
138.05493	0.6
139.07547	0.7
143.03406	1.2
159.02905	2.9
161.04462	7.6
169.12303	0.7
188.94801	0.5
197.11766	0.7
215.12817	0.9
228.10428	0.6
241.09854	2.1
245.04828	1.0
259.04083	0.5
271.10785	0.6
275.15051	4.9
289.12076	1.2
289.16559	6.7
315.18240	1.2
317.25970	0.5
333.15601	100.0
333.19275	12.2
334.15903	4.4
334.19312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.6
64.50734	0.5
66.13713	0.3
71.01238	1.2
71.04872	0.8
73.02806	15.7
74.13354	0.2
78.95763	0.3
81.79324	0.3
83.04866	0.4
85.31070	0.3
87.04369	1.3
90.20649	0.3
99.04377	2.7
101.02288	0.3
110.18066	0.4
113.09597	0.6
138.84581	0.3
139.11180	0.9
141.12712	2.3
151.11206	0.7
154.62202	0.3
156.12622	0.3
169.12244	31.3
170.12584	0.9
197.11768	0.5
199.13295	0.4
213.11307	0.6
215.12840	100.0
215.20987	0.9
216.13213	3.2
218.66306	0.3
220.36436	0.3
225.14912	0.4
245.13928	1.3
271.15540	1.2
289.16617	5.6
297.16986	2.6
315.02112	0.3
315.18167	26.9
316.18423	1.2
323.26770	0.3
333.19247	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	333.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	9.9
59.01242	43.0
69.03312	33.0
71.01234	3.4
73.02814	3.4
83.04871	11.4
92.76154	2.0
93.03304	3.1
93.06958	4.1
95.04874	13.4
97.06448	9.6
106.04101	2.3
107.04852	2.2
107.08576	4.6
108.05670	2.4
109.06477	6.8
111.08018	30.5
119.04900	2.9
119.08562	3.9
121.06477	3.3
121.10114	7.7
123.08010	6.1
125.09589	4.0
127.07533	7.9
133.10092	2.2
137.09593	5.3
139.07523	7.0
147.11700	3.2
149.09619	5.0
149.13277	6.5
151.11259	2.7
155.37642	2.2
161.13248	7.0
167.10686	4.5
168.91316	2.7
173.13243	11.6
175.11259	9.2
177.09137	5.9
177.12776	7.9
179.10652	2.7
179.14359	4.3
187.11067	2.6
189.12784	10.4
191.10767	5.4
191.14366	7.1
193.12280	100.0
194.12531	4.2
195.13849	6.1
199.14944	3.5
200.54639	2.1
201.12808	3.2
203.10793	3.0
203.87852	2.3
205.12238	13.7
207.13791	13.7
217.12349	9.8
221.11775	14.8
223.13373	28.9
235.13359	20.4
246.12613	32.4
253.19679	9.4
271.20691	8.6
276.58276	2.4
287.20169	3.2
289.18027	3.9
300.26181	2.4
302.05209	2.6
315.19598	16.6
321.27032	2.3
333.17004	5.4
333.20660	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02384	10.1
54.17967	9.3
55.23597	8.6
57.68115	10.6
59.01239	40.5
61.01192	10.2
66.63184	11.0
69.03336	13.0
85.40233	11.8
92.39494	11.1
97.06483	11.1
105.01865	11.9
126.90224	11.5
132.10201	13.0
141.09140	35.2
168.91312	24.4
185.46049	13.4
207.13835	21.4
224.29941	13.8
224.68639	14.2
271.20746	26.9
315.19708	48.1
333.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96306	0.3
54.37088	0.3
71.01382	2.3
75.52697	1.5
79.95715	0.5
90.09707	0.3
90.48536	0.3
93.00104	0.3
110.27341	0.3
117.03728	0.3
130.45262	0.3
135.04704	6.2
136.97375	1.2
139.04001	0.7
148.00221	0.3
154.94832	0.5
157.10452	2.8
161.00928	0.4
175.02475	0.6
175.11525	4.2
179.01945	4.9
191.05690	1.3
193.03636	0.6
216.54527	0.3
217.07161	5.4
219.08752	3.2
220.80814	0.3
233.10309	9.4
233.12491	0.6
234.10631	0.6
259.11908	4.0
273.13495	0.4
275.15070	100.0
275.26871	0.8
276.15231	6.5
289.25272	0.9
291.23380	0.8
304.23892	0.3
319.14017	0.5
332.23163	0.3
333.22830	67.7
334.23083	6.1
339.74884	0.4
341.48279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32259	0.6
53.57923	0.4
66.59018	0.5
74.36407	0.5
91.72690	0.6
94.47197	0.4
103.99362	0.4
110.22690	0.4
120.80716	0.5
125.02294	1.0
125.47659	0.5
126.03065	3.0
139.02919	0.8
139.03889	8.8
139.68956	0.6
143.20700	0.5
153.05490	0.8
158.02080	2.2
181.08571	0.6
195.10217	0.6
230.43329	0.6
300.72049	0.5
333.24353	100.0
334.24725	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	333.2438
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.88802	0.7
52.32930	0.6
54.25000	0.7
54.25306	0.7
56.59202	0.7
56.63239	0.6
57.61433	0.7
58.24873	0.7
59.68258	0.8
65.22530	0.8
77.51942	1.4
77.52319	0.8
80.02523	2.5
82.12613	0.8
91.72752	1.3
95.04887	1.2
121.06454	1.7
135.07997	1.2
140.87437	0.9
190.89853	1.0
191.72946	0.9
221.19034	10.5
251.23672	1.6
261.22421	1.0
272.21533	1.5
273.22321	3.4
287.23642	1.8
289.25397	100.0
290.25867	4.3
297.24411	3.3
304.20453	1.5
333.24371	75.1
334.24609	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	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
55.77718	0.5
58.11667	0.6
59.01231	3.5
66.30016	0.5
71.01218	0.9
73.02800	1.8
74.39827	0.5
81.03309	1.0
83.04889	2.1
85.02785	0.9
90.98428	0.6
91.05376	2.9
93.03314	12.3
99.00706	1.0
99.13808	0.6
101.02282	0.8
105.47769	0.6
107.04893	1.2
107.73492	0.6
109.02785	0.9
111.04383	4.0
111.07981	0.7
122.05973	0.9
133.02863	4.9
134.03627	3.3
135.04398	100.0
136.04713	3.0
137.02318	6.1
138.05467	0.8
155.03371	2.9
158.53337	0.6
161.02342	16.1
173.04517	3.4
179.03413	81.9
180.03857	1.7
185.29855	0.8
192.95781	1.1
243.11371	1.7
265.04965	1.3
273.12433	2.7
297.52612	0.7
316.85159	0.7
335.07767	16.6
335.11969	1.2
335.20667	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11761	0.3
54.51841	0.4
55.01731	0.4
55.23757	0.4
57.03318	0.7
58.00443	0.5
59.01242	12.5
63.50383	0.5
65.70912	0.5
69.03301	0.5
71.01238	5.7
72.35939	0.4
72.97751	0.4
72.99182	0.7
73.02798	1.8
73.67281	1.0
73.67654	0.8
75.00720	0.5
83.01237	1.2
84.15218	0.4
85.02817	2.2
87.00714	1.0
89.02295	3.9
91.03854	1.5
93.03327	0.7
95.01241	0.5
99.00738	0.5
101.02299	4.4
108.98563	0.4
111.00697	0.4
113.02292	2.1
114.83052	0.4
119.03387	0.5
127.11157	0.7
141.12735	0.9
153.12737	14.7
155.10623	1.9
163.11156	3.2
169.12247	11.0
173.04414	1.3
173.05910	0.5
173.11736	23.3
174.12123	0.5
178.02776	0.4
181.12262	6.5
197.11787	1.0
199.13322	10.9
215.12834	9.6
225.11275	4.1
243.12379	10.4
244.12874	0.5
261.13443	52.8
262.13724	1.9
265.04828	1.0
317.16132	0.6
335.17136	100.0
336.17447	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	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92258	0.9
57.03297	0.9
59.01243	19.1
69.03333	1.3
71.01240	7.2
72.99174	1.1
73.02804	1.2
73.67310	1.3
89.01823	0.9
89.02288	5.9
91.03873	3.3
93.03313	1.7
93.27914	1.0
101.02292	4.7
111.04360	1.7
113.02306	3.0
119.03347	1.8
128.66818	1.0
132.02872	1.0
141.12733	1.3
153.12735	25.3
155.10655	4.0
163.11224	5.4
169.12244	20.9
169.13557	2.0
173.04469	3.0
173.11755	1.7
181.12259	12.3
197.11838	1.9
199.13342	18.8
215.12866	17.7
225.11259	6.2
243.12367	19.0
261.13449	95.2
262.13879	2.5
263.12820	1.3
265.04868	1.4
276.86600	1.1
335.17157	100.0
336.17392	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	335.1866
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
50.21422	0.4
56.93690	0.4
57.03297	0.5
57.78189	0.4
59.01242	1.0
59.06131	0.3
61.12955	0.4
64.03106	0.4
69.03294	1.9
69.07498	0.3
70.89862	0.3
72.99155	0.6
74.83359	0.4
81.03307	1.2
83.04881	5.7
84.50452	0.4
93.03294	1.2
95.04852	0.8
97.06462	0.8
98.54795	0.4
107.04881	2.0
109.02795	0.8
109.06448	0.5
110.02315	0.5
111.04339	1.0
122.05967	1.4
122.87577	0.4
123.04396	1.2
125.05955	3.6
129.05389	0.4
132.04422	1.2
133.04709	0.4
135.04372	0.5
135.08061	0.5
136.03915	1.0
136.07526	0.6
137.09560	0.6
138.05476	0.4
159.07970	0.5
169.04979	3.1
173.05879	0.5
180.04268	0.4
187.07672	0.5
188.07089	0.5
213.09052	0.8
227.14375	0.5
229.15819	1.0
231.10210	0.9
243.11520	0.8
245.18950	0.7
247.17130	1.5
255.11188	0.6
256.09821	0.7
257.08203	0.5
261.18613	1.0
263.20239	1.1
271.17032	2.7
273.12372	3.0
275.09378	0.9
289.18100	2.2
291.19751	0.7
300.08878	0.6
317.11383	0.9
317.17545	1.2
318.09714	1.1
333.17001	1.2
335.18668	100.0
336.10962	1.0
336.14893	0.9
336.18976	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	335.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28657	0.2
56.03698	0.2
57.03300	0.7
58.00451	0.9
59.01245	3.0
61.71811	0.2
69.03305	0.6
71.01233	0.6
71.04877	1.0
72.99158	0.6
73.02800	1.2
75.00735	0.3
79.05376	0.2
81.03301	0.5
83.04856	0.7
85.02791	0.7
85.06453	3.4
87.00724	0.2
87.04361	0.4
89.02279	0.4
91.72704	0.3
95.04875	0.6
97.06447	0.8
98.32918	0.3
99.00712	0.3
99.04375	2.2
99.08007	0.2
100.78377	0.2
101.02276	0.3
101.05299	0.4
101.05937	4.3
109.06433	0.6
111.04367	0.4
111.08023	1.7
113.02299	0.8
113.05952	0.4
115.07491	0.5
121.06470	0.4
122.05968	0.8
123.08012	1.4
124.05155	0.8
125.02249	0.4
125.05967	0.4
125.09555	0.3
127.07526	0.3
129.09074	0.6
135.07979	0.4
135.11682	2.2
137.02295	0.4
137.09595	0.7
138.05457	0.9
139.07553	1.2
139.11142	0.2
141.09081	1.9
149.09613	9.9
150.09944	0.4
153.09074	0.5
157.12225	0.3
159.10135	0.9
161.09616	0.3
167.10684	3.3
169.12250	0.9
171.10184	0.3
173.04448	0.5
179.10672	1.7
181.01308	0.4
181.12230	0.4
185.11641	0.3
187.13455	0.3
197.11797	2.5
215.12891	0.6
217.14491	1.5
231.12459	0.3
235.16942	0.4
261.13239	0.2
289.20126	0.5
317.19736	2.7
318.20062	0.2
333.19012	0.3
335.20773	100.0
336.21143	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34128	0.2
50.75140	0.1
56.91166	0.2
57.03315	1.0
58.00454	0.8
59.01242	2.4
63.92268	0.2
65.35249	0.1
69.03313	1.5
71.01232	0.4
71.04884	2.5
72.80075	0.2
72.99161	0.2
73.02806	0.7
81.03318	0.4
83.04885	1.2
85.02798	0.4
87.04364	3.0
91.72716	0.2
95.65611	0.2
99.04351	0.6
99.08012	0.4
101.02327	0.2
101.05940	2.1
115.03881	0.3
115.64105	0.2
117.05437	4.9
120.13441	0.2
139.11171	0.5
141.12717	1.8
151.11154	0.3
153.12761	0.3
167.10661	0.3
169.12231	6.7
171.13734	0.9
181.12300	0.4
183.13786	0.9
193.17383	0.2
197.11734	0.5
199.13332	11.7
200.13782	0.5
205.15895	0.3
213.14937	0.6
215.12801	1.1
223.17000	5.7
224.17514	0.2
229.14441	0.2
232.63379	0.2
235.17055	0.4
241.18060	0.2
245.13919	1.0
260.69724	0.2
263.13876	0.2
289.20139	0.5
317.19730	1.6
335.20767	100.0
336.21103	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	335.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.4
51.21911	1.0
55.97168	0.4
57.03336	0.5
59.01244	2.8
61.98695	0.9
66.51417	0.5
71.01267	0.5
71.04873	1.2
75.72376	0.5
76.28963	0.5
78.16940	0.6
83.43681	0.6
85.02815	0.7
93.03325	0.5
95.04886	0.9
96.93578	0.6
99.04370	1.4
101.05936	2.5
105.35439	0.5
108.04436	1.1
111.04386	0.6
111.08037	1.1
112.03896	1.4
115.07549	0.7
120.04473	0.5
122.06013	0.7
123.03128	17.9
123.08038	0.8
124.03917	4.8
134.01985	0.6
134.05995	46.3
135.04387	2.3
135.06323	1.7
138.01292	1.4
138.05489	100.0
139.05824	2.3
139.98558	0.6
140.07066	0.8
143.93019	0.6
149.09547	2.7
150.05531	0.8
152.07071	6.4
157.41069	0.6
167.10623	1.2
179.03448	2.2
182.04494	5.6
183.05370	3.4
184.06071	5.6
254.10654	0.6
265.04861	1.3
273.12418	0.8
317.11655	1.0
317.19708	1.2
329.81375	0.7
335.12524	7.3
335.20792	42.3
336.20975	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	335.223
Annotation	(plusmn)-14,15-DiHETE
Peak:m/z	Relative Intensity
50.06197	1.1
54.60621	1.1
57.03299	3.2
58.00457	8.2
59.01247	15.3
60.24045	1.3
64.93171	1.2
65.33703	1.1
69.03303	1.6
71.01229	2.0
71.04870	2.3
73.02798	11.7
74.36078	1.2
74.82114	1.3
83.04877	2.1
85.06440	4.4
99.04344	1.5
109.06445	3.6
111.08059	2.1
125.09596	2.7
127.07528	8.7
132.62596	1.4
135.11673	3.4
138.06679	1.4
149.09700	1.8
153.09132	2.7
158.76646	1.7
163.14848	1.8
167.72435	1.5
169.93587	1.8
170.88271	1.7
170.91002	1.6
179.10767	1.5
192.95810	3.3
193.15903	1.9
194.92757	1.5
203.14304	3.1
207.13853	69.1
219.13889	5.0
221.15517	2.1
221.19147	1.8
237.14938	10.9
241.35196	1.6
247.13374	3.0
248.14209	5.6
255.21188	3.5
265.04932	3.3
265.14484	2.1
273.22296	10.2
291.23419	5.4
299.20413	3.1
313.24698	1.6
317.21255	19.1
335.22305	100.0
336.22641	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	335.223
Annotation	2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
50.62186	0.4
55.16166	0.3
58.32219	0.3
59.01228	1.0
64.65353	0.4
69.09420	0.4
72.77834	0.5
73.02806	4.0
78.01555	0.8
78.01988	0.9
83.04852	1.0
85.02782	1.3
97.06438	1.2
105.72494	0.5
110.60549	0.4
121.50648	0.5
125.66080	0.5
133.02940	0.5
137.09639	0.7
146.19904	0.5
149.09526	0.7
150.94504	0.4
164.50604	0.5
168.11417	0.6
173.04512	0.5
192.95793	0.9
265.04739	1.0
269.60269	0.5
273.22217	9.7
274.22650	0.7
291.23318	100.0
292.23605	6.1
299.20215	1.0
317.21265	5.5
335.22308	48.5
336.22729	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	337.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78299	3.9
59.01239	51.7
61.98702	14.9
63.20810	3.5
64.13626	4.6
67.08908	3.6
71.01222	9.9
72.77899	3.9
72.99169	5.2
73.02827	4.4
85.02786	6.1
89.02309	5.2
93.03314	51.7
96.95860	11.4
97.43039	3.9
99.00745	6.6
101.02354	4.9
114.05469	7.0
115.03878	9.6
119.75881	4.6
123.00739	5.5
125.02360	4.2
128.03397	6.7
137.02322	100.0
157.06886	4.4
183.03618	11.0
184.04358	8.5
264.00156	8.9
275.12567	7.3
277.09418	13.2
301.95740	10.0
337.07175	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64694	0.9
54.41006	0.9
59.01240	34.2
60.00706	0.9
63.63733	1.1
71.01225	3.1
82.02840	2.9
86.05020	1.3
94.02845	43.4
94.03439	2.3
96.04404	11.2
96.95899	1.6
100.00058	1.1
108.04411	27.8
110.05991	5.9
115.03941	1.7
116.87190	1.2
121.05212	3.5
121.95053	1.2
122.06010	8.7
124.07547	57.5
125.07849	1.9
134.05981	2.5
136.03802	1.6
136.07559	100.0
137.07935	1.6
138.04436	1.4
138.05492	27.1
147.11688	1.4
150.05470	2.6
156.06555	3.3
162.05524	1.8
162.09174	1.5
168.06563	93.1
169.07019	1.8
180.06587	21.0
186.34941	1.2
190.12288	4.1
205.09761	2.2
215.12080	1.5
217.09875	2.4
233.12955	2.5
247.00085	1.3
257.12726	1.7
277.11935	54.2
278.12283	2.4
319.12970	18.2
337.14786	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	1.5
59.01243	46.2
62.79634	1.2
71.01239	17.3
71.17229	1.2
73.02806	100.0
73.04559	1.4
75.00736	1.9
76.03774	1.2
78.86834	1.2
78.95770	2.2
83.01216	2.7
83.04903	1.7
85.02803	7.4
87.00745	2.1
89.02303	17.7
96.95869	3.4
99.00739	1.6
101.01734	1.9
101.02315	19.0
104.56924	1.3
113.02338	10.2
115.03911	2.2
116.75554	1.2
119.03352	7.5
157.04951	5.1
157.08609	5.2
161.04503	6.9
179.05476	3.3
207.63091	2.3
263.11328	6.5
277.09341	2.7
302.08771	3.1
315.94162	1.6
319.14038	1.8
337.15067	99.5
338.15277	4.4
355.28018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1659
Annotation	18-carboxy dinor Leukotriene B4
Peak:m/z	Relative Intensity
50.45633	1.3
50.87019	1.3
55.51343	1.2
59.01237	9.0
71.04890	2.6
72.99165	65.0
73.02811	2.2
75.00732	37.3
83.04832	1.8
91.67245	1.6
99.04393	10.9
103.73171	1.7
105.43346	1.6
111.08005	2.8
115.03870	2.3
116.38516	2.0
116.77111	1.5
136.93967	2.3
150.72708	1.8
157.15627	1.6
194.92778	1.8
194.95406	2.7
261.15021	7.5
262.15564	2.1
263.16501	3.2
267.44989	1.7
319.15469	5.4
319.22678	2.1
328.43396	1.9
337.16614	100.0
337.23041	14.0
338.17047	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	337.2023
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
52.02619	5.8
53.44979	7.0
57.03313	13.5
59.01242	82.8
61.98714	8.6
67.65456	7.9
69.03317	58.4
71.01237	16.8
72.02032	27.3
73.02812	15.9
80.40515	7.2
81.03278	8.7
83.04884	15.3
83.08948	6.9
87.04362	87.5
87.83346	6.9
95.04854	10.7
96.95863	10.5
97.06451	34.5
99.04392	13.3
110.03539	7.6
111.08030	14.3
113.44417	8.1
115.03892	9.9
121.10085	38.6
135.11699	11.8
139.07486	13.2
139.11252	10.7
152.91649	9.6
167.10660	10.0
177.12793	20.7
178.94949	13.6
194.95410	11.4
195.13857	25.4
205.12317	13.1
205.94749	9.3
223.13397	22.5
231.17482	11.9
249.18570	14.6
257.19116	16.2
265.18094	15.5
275.20248	32.0
277.09412	24.4
293.21259	100.0
337.20282	15.3
337.23901	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2175
Annotation	nor-Plakotenin
Peak:m/z	Relative Intensity
57.03316	3.9
59.01226	2.7
65.03824	10.9
69.03305	1.8
78.23332	0.6
79.95592	3.4
81.03315	1.6
83.04884	0.9
93.06960	1.9
95.04896	0.8
95.68295	0.6
96.02016	0.6
96.95869	32.3
97.02812	4.9
101.59100	0.7
106.04118	1.2
107.04881	1.2
107.08511	0.9
108.02034	16.3
108.99820	1.6
109.02816	100.0
110.03136	1.4
111.00743	0.7
111.04348	0.8
115.30556	0.7
119.08530	4.1
121.02805	1.0
121.06427	0.8
121.10112	0.8
122.03597	7.3
122.97466	1.0
123.04356	3.2
133.10168	0.9
135.04398	1.1
135.11696	1.4
144.63979	0.7
145.10126	1.4
147.11552	0.8
148.05177	2.5
149.05974	5.4
161.05991	2.0
162.06802	3.2
175.07590	1.3
185.13339	2.4
187.14845	0.8
188.08311	1.1
203.10800	1.1
210.68756	0.8
214.17805	0.7
227.10759	1.2
227.18042	1.6
229.12332	6.3
230.12889	0.9
255.23335	3.9
277.21774	0.9
279.17404	1.0
281.42834	0.7
292.68927	0.9
293.22864	3.5
337.21344	73.7
338.22156	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	337.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50464	0.7
54.65384	0.9
57.03318	100.0
57.04422	1.8
58.03635	0.8
59.01233	4.1
60.99158	1.3
69.03322	2.1
76.93627	0.8
96.95876	0.9
106.64754	0.9
113.05943	3.0
115.03918	1.2
153.12744	96.8
154.13098	2.9
199.75714	0.9
219.17532	1.8
222.24451	0.9
223.17021	4.5
224.67484	1.2
275.23828	13.6
293.24884	28.2
294.25452	1.2
319.22763	5.1
337.23889	51.4
338.24265	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	337.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
58.35707	0.3
59.01246	2.0
59.01496	0.4
69.36670	0.2
77.52924	0.2
83.04861	0.4
85.06431	1.5
88.62894	0.3
115.03886	0.5
125.09521	0.3
127.11159	0.7
153.09102	0.3
157.04709	0.3
163.11206	0.5
165.12738	0.9
171.10170	15.2
185.00517	0.3
223.17050	0.4
233.15465	0.3
251.16507	11.8
319.22778	5.2
335.22226	1.1
337.23865	100.0
338.24228	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.9
67.81263	0.2
77.73982	0.3
78.52178	0.6
78.52567	0.3
80.08246	0.3
84.02007	0.6
90.76131	0.4
92.84765	0.3
97.47857	0.2
105.19860	0.2
109.02777	0.3
263.23801	2.1
265.25430	1.4
275.23886	2.5
277.68893	0.3
281.24847	1.0
291.23294	4.1
292.23828	0.4
293.24881	29.8
294.25305	2.0
301.21680	0.3
305.14658	0.3
309.24347	8.1
310.24899	0.4
319.22800	3.3
337.08105	0.9
337.23871	100.0
338.24203	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	337.2387
Annotation	3beta,8alpha-Dihydroxy-13E-labden-15-oic acid
Peak:m/z	Relative Intensity
50.12425	0.6
53.14776	0.5
53.98071	0.6
59.01332	4.0
69.92191	0.6
82.01186	1.0
83.34295	0.7
100.19962	0.8
118.03941	0.7
165.09151	0.9
179.10866	2.0
179.14330	1.0
224.61903	0.7
275.23929	3.1
319.22800	100.0
320.23093	6.0
337.19772	1.7
337.23840	29.4
338.24207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2388
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
52.47355	0.6
57.03304	1.9
59.01242	5.4
59.22296	0.6
61.98679	1.0
69.03310	0.9
71.04879	18.0
71.05270	1.0
81.03310	4.1
84.02018	1.5
85.06451	0.8
91.73165	1.0
95.04858	0.8
98.03575	1.7
99.04379	17.1
99.08008	2.6
106.27362	0.8
110.99989	0.9
123.08037	1.3
137.09650	2.2
139.11179	2.0
141.09106	5.4
143.10664	24.2
144.55049	0.9
153.09131	1.2
179.14363	2.3
193.15981	1.1
194.95522	0.9
224.16377	0.8
271.81592	0.9
275.23792	1.0
277.09308	0.9
277.21652	2.2
291.23578	1.0
293.24893	11.6
294.25351	0.9
337.23892	100.0
338.24188	7.2
341.39569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68970	0.2
56.09150	0.2
59.01237	0.5
61.97543	1.1
61.98692	100.0
62.00023	1.7
62.98392	0.3
74.52744	0.2
78.41050	0.2
83.04870	0.3
93.03348	0.5
98.02380	0.2
106.04130	0.9
107.04887	2.2
108.02081	0.3
111.00700	0.2
118.55918	0.2
119.04914	0.3
121.02818	0.5
123.04404	0.3
125.05972	0.4
135.04449	0.3
137.02269	0.4
150.05446	1.0
151.03899	1.2
169.05031	0.3
178.08557	0.2
213.09160	2.9
217.49742	0.2
218.08229	0.3
234.07745	0.4
236.08714	0.2
257.08176	6.0
258.08521	0.3
262.07318	0.6
266.10400	0.3
275.09277	5.9
276.09613	0.2
339.17148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32434	0.2
59.01247	0.6
61.25635	0.2
61.97367	1.8
61.98693	100.0
61.99833	1.2
71.01237	0.3
80.50942	0.2
83.04871	0.3
84.16796	0.2
90.84538	0.2
93.03304	0.4
94.02892	0.3
95.03187	0.2
106.04126	1.1
107.04892	2.0
109.02826	0.4
114.47646	0.2
119.04902	0.2
120.99522	0.3
121.02850	0.3
125.02292	0.3
125.05926	0.4
136.07568	0.3
137.07922	0.3
151.03943	1.0
163.50719	0.2
168.06764	0.3
169.04962	0.3
173.12558	0.2
178.08688	0.3
209.73221	0.2
213.09151	3.4
234.07751	0.2
257.08170	6.5
257.10840	0.4
258.08688	0.5
275.09265	5.5
276.09656	0.5
337.19244	0.6
338.12762	0.4
338.19458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73322	0.3
58.38439	0.9
58.38707	0.6
59.01228	0.7
61.42623	0.3
65.03819	0.7
76.57760	0.4
83.04911	0.5
92.61194	0.4
93.03314	4.5
95.04866	0.4
106.04105	17.8
107.04893	29.8
108.02045	3.0
108.05206	0.6
108.58475	0.4
109.02806	0.5
111.04381	0.6
121.02819	4.1
138.03078	0.9
149.02327	0.6
155.39993	0.4
171.08012	0.5
210.06775	0.6
211.07602	2.1
213.09166	40.7
213.17146	0.6
214.09468	2.3
235.07388	13.5
236.07693	0.7
253.07220	6.1
255.06686	0.9
257.08191	100.0
258.08545	6.6
265.95285	0.4
279.06384	20.2
280.06696	1.5
297.06302	2.3
339.07254	2.7
340.00320	0.9
352.20840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
65.10419	0.6
67.38605	0.6
79.95590	1.5
116.58605	0.8
117.13334	0.8
119.04890	1.5
170.00377	1.0
183.01137	35.9
184.01591	1.5
187.69608	0.9
197.02705	14.8
211.04277	1.1
225.05788	1.4
232.69832	0.8
253.09146	1.5
277.25305	0.9
311.22522	0.8
339.20001	100.0
340.20190	4.0
349.01901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1813
Annotation	Pentamidine
Peak:m/z	Relative Intensity
59.01232	3.8
61.98686	1.8
72.99165	29.5
75.00731	53.6
76.77821	1.2
87.04337	1.2
98.19100	1.1
106.04100	1.4
107.04889	3.0
131.15193	1.3
210.06795	9.8
211.07578	13.1
213.09290	3.1
247.50038	1.5
255.06612	17.5
257.08212	7.0
279.06439	1.5
292.55292	1.4
339.18146	100.0
340.18738	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.87924	0.4
56.88147	0.2
60.75003	0.2
67.32309	0.2
69.38221	0.2
80.07166	0.2
95.54478	0.3
100.92204	0.2
107.04919	0.2
147.08049	0.4
163.05780	1.1
163.11186	100.0
163.17227	0.8
164.11511	3.9
164.12775	0.4
196.73291	0.2
232.66574	0.2
276.96866	0.3
295.26556	0.3
298.39511	0.2
339.23309	48.1
340.23663	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17027	0.5
52.86051	0.5
53.67337	1.1
56.87694	1.2
56.87943	1.1
59.62452	0.5
60.48906	0.7
62.15884	0.6
62.71312	0.7
71.83710	0.8
79.95602	1.7
108.53120	0.6
118.10529	0.8
119.04894	1.4
153.97287	0.7
163.11182	100.0
164.11514	2.1
170.00298	1.3
178.72569	0.8
183.01128	38.2
184.01796	4.0
197.02733	1.7
199.33409	0.8
211.04422	0.8
216.00883	1.2
240.29732	0.7
295.26431	67.8
296.26782	3.7
319.84506	0.8
339.19870	71.0
339.23505	35.3
340.20361	3.9
340.23813	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.254
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
50.00588	0.3
54.60013	0.3
57.29073	0.3
69.10349	0.3
79.02124	0.4
79.02677	1.1
79.03188	0.5
119.04845	0.4
125.38668	0.3
136.09334	0.4
163.11162	4.1
183.01129	9.9
184.01726	0.6
197.02632	0.7
206.22992	0.3
253.21815	0.8
259.29895	0.6
269.91925	0.4
295.26416	100.0
296.26764	4.9
313.09927	0.3
339.19998	19.4
339.25385	52.9
340.20261	1.4
340.25769	2.6
347.46817	0.4
352.90457	0.4
353.76447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1191
Annotation	Isocaryachine N-oxide
Peak:m/z	Relative Intensity
52.10254	0.9
52.73741	1.0
59.01245	7.6
61.98687	1.6
71.01226	2.3
72.99152	1.4
75.00723	5.4
76.56577	0.9
84.19473	1.2
89.02309	2.5
89.47771	1.2
93.03338	5.8
102.05495	6.2
106.04107	35.5
106.06493	3.0
107.04424	1.6
108.02030	7.8
119.04893	4.9
128.03416	6.0
138.03087	2.5
146.04475	5.9
146.09628	25.1
148.06143	1.7
158.09630	2.7
172.07593	11.1
173.10730	2.2
178.08646	3.8
190.08740	3.0
196.14388	1.3
211.13258	1.6
212.10739	2.7
250.12378	4.8
252.13933	89.2
253.14240	6.6
278.11905	4.0
296.12939	48.1
297.13263	2.7
301.03326	1.2
322.10672	1.7
323.13953	2.8
340.11905	100.0
340.18036	3.8
341.11386	7.3
341.15146	7.7
341.19711	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	341.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00970	1.6
59.01242	19.5
61.98453	1.1
61.98694	12.0
67.99680	1.2
68.61888	1.1
71.01240	13.2
71.98556	1.3
74.38315	1.1
85.02781	2.4
89.02296	18.0
91.05385	2.4
97.02879	1.5
101.02310	5.2
107.04887	4.1
113.02297	3.7
117.03340	2.3
119.03381	6.9
119.04871	12.0
123.04418	1.5
131.04936	2.0
132.38194	1.4
135.04402	17.4
137.71495	1.3
143.03467	1.7
145.02814	7.8
146.03639	2.6
147.04408	11.3
159.04425	1.8
161.02380	3.0
161.04474	1.5
162.05504	2.2
163.03891	21.7
164.04659	3.8
173.02354	6.0
175.03928	16.6
177.01883	3.6
177.05415	2.1
178.05038	2.9
179.03419	27.4
179.05516	6.0
189.01820	3.7
190.02756	1.7
191.03423	100.0
192.04123	11.4
201.01875	5.2
203.03418	12.2
205.01395	4.1
207.02919	2.2
209.04581	7.4
217.01468	3.9
217.04965	1.7
219.02943	51.0
220.03716	17.3
223.06033	8.7
228.29494	1.7
229.01430	4.8
235.02640	1.6
235.05748	1.8
247.02539	8.2
249.04071	10.1
251.01929	9.6
251.05609	5.9
252.02704	3.2
261.04053	3.9
263.02005	18.1
264.02661	2.1
265.03574	4.5
279.05103	29.4
281.03055	5.5
295.04691	6.2
309.02533	4.7
311.04047	4.6
323.04095	26.7
341.05078	25.0
341.11072	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.81205	0.3
59.01244	5.5
59.01520	0.6
65.72749	0.3
71.01236	2.6
72.36250	0.3
81.18320	0.4
85.02793	0.9
89.02291	5.1
90.02585	0.4
90.53796	0.3
95.82404	0.3
101.02311	1.4
102.05476	0.7
105.41904	0.4
105.47800	0.5
107.04914	0.9
113.02347	1.3
114.94579	0.4
118.97968	0.9
119.03365	1.7
128.03429	0.9
133.02853	0.8
134.03633	4.2
135.00011	0.9
135.04399	100.0
135.08282	1.3
136.04741	2.4
137.22905	0.3
152.03473	0.5
161.04475	0.6
178.04993	0.9
179.03415	93.6
180.03751	3.3
236.07950	0.4
267.88620	0.4
271.55276	0.4
323.10178	0.7
341.08490	11.9
342.08755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01241	21.6
71.01241	13.8
72.99156	1.0
73.02790	0.7
85.02809	2.0
87.00748	1.1
89.02296	21.1
95.01218	0.7
101.02296	9.2
106.90145	0.6
107.04913	0.6
111.03171	0.5
113.02298	6.4
119.03363	6.6
131.03305	0.8
134.03598	4.6
135.04393	97.0
135.08510	1.3
136.04781	2.5
143.03372	1.2
149.04457	0.7
161.02351	0.8
161.04451	2.7
177.93933	1.2
179.03409	100.0
179.05447	7.3
180.03770	2.1
212.44524	0.5
246.02499	0.6
305.12421	1.9
315.93433	0.5
341.08780	10.9
341.17239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1508
Annotation	Humantenidine
Peak:m/z	Relative Intensity
52.89256	0.4
58.02831	1.2
59.01245	4.3
59.69617	0.4
59.85202	0.3
67.57813	0.3
71.01241	2.9
76.75000	0.4
82.02835	4.2
82.98940	0.6
82.99348	0.4
88.50948	0.3
89.02296	4.8
101.02307	1.3
106.03509	0.6
106.04102	25.0
106.06483	31.8
106.09304	0.4
107.04465	0.6
107.06797	0.5
108.02035	1.7
110.02339	0.5
113.02306	1.1
119.03352	1.3
120.08063	0.7
132.08032	0.8
138.03113	1.2
143.03416	0.5
146.06021	1.7
146.09654	0.7
158.05917	0.5
173.10744	14.2
174.09161	17.3
175.09531	0.6
179.05507	1.6
180.06172	0.4
205.09811	0.8
212.10757	15.0
213.11156	1.0
217.09868	1.9
218.08124	0.9
238.12343	0.8
246.74637	0.4
252.13992	1.6
263.33633	0.3
270.11282	1.3
274.26743	0.4
278.11868	2.0
279.12045	0.5
279.15018	11.0
280.13403	17.8
281.13748	1.3
296.12970	0.8
297.16098	5.4
305.12888	1.3
323.14029	37.1
324.12344	1.3
324.14941	0.8
341.15073	100.0
342.15402	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	14.7
71.01232	6.0
72.99162	24.9
75.00731	92.1
76.01060	1.9
85.02812	1.8
89.02297	8.1
89.13872	1.3
89.19109	1.6
101.02299	3.8
106.04100	1.5
111.08034	1.4
113.02298	2.5
119.03332	3.8
175.66072	1.5
179.05554	3.2
199.09666	1.5
211.07248	4.6
212.07988	8.3
256.06952	10.5
257.08109	5.5
306.11145	3.9
341.10922	7.2
341.19690	100.0
342.13440	3.3
342.19949	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52201	0.2
52.69607	0.2
55.36352	0.2
57.27112	0.2
59.01242	1.3
60.99179	0.2
61.98695	0.6
66.47021	0.3
66.52098	0.2
70.30991	0.2
70.92246	0.3
71.01227	0.7
72.97606	0.4
72.99166	22.6
73.00916	0.3
73.02816	0.4
73.99525	0.3
74.99044	1.4
75.00732	84.4
75.02602	1.1
76.01063	0.6
89.02296	1.1
93.03292	0.4
97.06442	0.3
101.02296	0.5
101.06847	0.2
106.04105	2.3
107.04890	3.6
108.02071	0.2
113.02317	0.3
119.03388	0.3
121.02812	0.4
125.05949	0.5
126.06735	0.4
137.09615	0.5
138.25804	0.2
141.09074	1.8
155.05673	0.2
179.05519	0.4
196.11015	0.7
199.13304	0.4
207.93388	0.2
213.09160	4.7
213.11009	0.2
215.12840	0.3
226.12076	0.6
228.94774	0.2
243.12335	0.4
257.08179	11.7
259.08810	0.8
265.18036	1.5
265.87988	0.8
272.12622	0.9
284.12924	0.7
306.11258	1.1
323.18735	0.3
341.19708	100.0
342.06033	0.9
342.20041	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94918	1.3
54.73553	1.2
57.03326	1.8
58.00463	1.6
59.01242	27.1
61.98712	5.8
66.66207	1.7
71.00937	1.8
71.01243	11.1
71.04894	3.2
72.99186	6.6
75.00732	12.1
81.03315	1.7
83.04913	7.1
85.02831	2.2
87.32753	1.8
89.02293	16.9
91.32526	1.6
91.73301	1.8
99.08019	2.4
101.02328	6.5
102.05487	2.8
106.04115	3.7
106.06504	6.3
111.08072	2.2
113.02309	3.9
119.03424	5.4
123.04389	2.3
127.07542	3.3
128.03398	3.1
139.07561	4.9
141.09093	3.9
146.04555	2.6
153.09087	4.4
155.10753	8.7
173.10854	3.1
176.51907	2.0
179.05589	7.1
179.10754	4.1
187.09700	4.6
201.11385	2.6
212.10925	2.2
213.11340	6.1
225.11345	7.0
243.12491	2.9
244.07484	4.1
253.14354	5.4
272.12769	2.0
277.18231	4.0
278.00845	1.9
280.13535	3.8
297.16263	2.3
323.14478	3.6
323.18616	33.9
324.18484	2.7
341.11349	7.4
341.15213	19.0
341.19791	100.0
342.15927	2.1
342.19742	8.8
351.01602	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	341.1969
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
58.84918	0.5
59.01242	6.3
69.03307	0.8
71.01243	3.3
72.99161	16.8
73.02802	0.6
74.99058	1.1
75.00730	68.2
75.02592	0.9
76.22929	0.6
85.02781	0.8
89.02300	5.2
89.16249	0.6
101.02281	1.8
102.05487	0.6
104.27338	0.6
106.04085	0.9
106.06448	0.6
113.02303	1.5
119.03347	2.6
128.03416	0.9
129.09067	0.8
136.81032	0.7
179.05537	2.0
207.13895	0.9
213.14882	0.8
265.88113	1.9
283.15570	1.9
323.13834	0.8
323.18616	1.1
341.11368	3.9
341.19696	100.0
342.19888	5.7
364.72067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.8
58.00467	9.1
59.01243	9.0
61.61007	1.0
63.63208	0.8
69.84818	0.8
71.01233	3.6
73.02802	1.9
82.97704	1.0
84.02006	1.3
89.02297	6.2
90.90617	0.9
96.31528	1.0
97.06440	2.6
98.11890	0.8
98.76207	0.9
101.02333	2.6
101.19084	0.9
109.06448	1.8
113.02309	1.7
119.03364	2.3
121.02839	1.2
127.07512	7.7
156.14493	0.9
163.63033	1.0
171.10213	2.1
176.97926	1.3
177.54103	1.2
179.05447	1.3
183.01144	3.8
183.13809	24.7
185.27074	1.2
193.12323	1.9
195.13794	3.3
213.14912	5.8
223.13351	2.0
225.15028	2.9
233.90535	1.0
239.93541	1.2
241.14409	5.7
243.16129	2.0
257.08212	1.2
293.21173	5.8
311.22342	29.7
312.22699	1.7
323.22238	7.7
341.10474	2.5
341.14273	4.0
341.23346	100.0
342.23590	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62578	0.5
57.03306	0.5
58.00461	11.3
59.01241	8.3
61.00710	0.8
61.00986	0.6
61.98692	0.9
63.05915	0.6
71.01231	3.8
72.99165	1.1
73.02792	2.4
75.00726	2.0
78.48116	0.6
81.42654	0.7
85.02776	0.7
89.02293	4.5
91.73067	0.5
95.04871	1.0
99.07986	0.7
101.02308	2.6
109.06442	1.8
113.02334	1.7
115.07498	0.6
119.03362	2.4
127.07523	9.8
132.45610	0.7
141.09114	0.7
147.56259	0.6
161.04486	0.6
169.08615	1.3
169.17093	0.7
171.10156	1.9
176.97948	0.8
179.05504	2.3
179.14449	0.7
183.01187	3.0
183.13820	26.2
195.13815	3.9
211.13351	1.2
213.14926	9.2
223.13342	2.6
241.14412	6.7
257.08240	1.2
275.20218	1.8
293.21255	6.8
311.22296	30.4
312.22626	1.4
323.22299	8.0
324.22244	0.7
341.10632	2.0
341.14365	6.2
341.23340	100.0
342.23712	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	341.2697
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
50.90680	0.4
54.74273	0.3
57.03305	0.5
59.01243	5.7
71.01231	1.8
73.02820	0.5
85.02824	0.5
89.02282	2.6
96.53242	0.5
101.02300	1.0
105.27176	0.4
111.41762	0.5
113.02317	1.4
119.03389	0.9
125.35463	0.5
144.78975	0.4
176.98050	1.0
179.05527	1.5
186.79106	0.5
257.09280	0.5
265.25317	0.5
281.24866	4.6
293.24792	3.1
295.26398	1.3
305.24872	3.9
311.25934	15.9
323.26007	6.9
341.10580	1.7
341.26984	100.0
342.27292	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	342.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38445	1.1
59.01245	5.5
61.98687	5.1
65.03821	0.7
66.84421	0.6
71.01224	2.2
72.99160	4.0
75.00728	12.2
81.03362	0.8
85.02802	0.7
89.02297	5.6
91.20102	0.6
93.03323	3.6
101.02302	2.0
106.04102	15.3
107.04889	25.7
108.02019	2.0
113.02283	1.2
114.02631	0.8
117.93486	0.6
119.03371	1.1
119.74870	0.6
121.02777	3.1
167.78006	0.7
171.08047	1.1
175.06586	0.8
179.05490	1.5
204.80766	0.7
213.09154	41.7
214.09497	2.3
235.31396	0.8
257.08188	100.0
258.08487	5.1
284.12659	0.9
306.11057	2.1
341.19684	10.7
342.05984	6.9
342.10291	1.0
342.20102	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	342.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77538	0.1
52.95028	0.2
54.32878	0.2
55.12267	0.2
59.00968	0.2
59.01242	3.2
59.30498	0.2
61.98681	0.2
71.01232	1.0
77.20222	0.3
83.23534	0.3
84.04412	0.2
85.02812	1.4
85.71690	0.2
87.92796	0.3
88.50983	0.2
89.02274	1.0
93.03318	0.7
101.02298	1.2
102.05460	0.6
106.01325	0.4
106.04102	26.0
106.06478	0.7
106.07167	0.4
107.04350	0.4
108.02017	4.2
113.02297	0.2
119.03364	0.2
119.04892	1.0
124.24878	0.2
128.03424	0.5
129.01801	0.7
132.08041	0.3
137.67679	0.2
138.03111	1.6
146.04462	0.7
146.06000	1.4
146.09631	1.3
148.11195	3.8
151.60643	0.2
158.05965	0.5
160.07555	0.5
174.03294	0.3
174.09143	20.7
175.09479	0.8
179.05466	0.3
179.74278	0.2
180.10283	0.2
192.06790	0.2
192.31131	0.2
211.09790	0.2
212.10765	4.4
213.11162	0.3
218.08098	1.0
226.12271	0.3
238.12375	0.8
252.13931	2.1
254.15489	7.0
255.15877	0.5
257.08185	0.3
270.11389	0.6
278.11905	0.4
280.13437	32.6
281.13800	1.9
281.16827	0.3
298.14487	21.5
299.14633	1.4
324.12427	34.7
325.12686	1.9
342.13474	100.0
343.13803	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	342.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	14.6
61.98709	3.3
80.33146	4.0
82.58146	3.6
89.02288	3.9
102.05471	96.1
119.48823	4.5
128.03403	91.1
128.04305	7.7
146.04478	100.0
205.51407	4.5
213.14920	22.0
218.49382	4.3
240.24396	4.4
256.55566	4.9
296.15814	4.3
298.20285	5.5
324.18192	6.3
342.10730	5.4
342.15298	4.4
342.19296	90.7
342.23492	5.1
343.21295	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	343.1301
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
53.67166	0.2
58.02841	8.6
59.01230	1.1
67.54821	0.3
69.21668	0.7
70.02839	18.8
70.04350	0.3
74.48527	0.3
74.76369	0.3
83.04855	0.6
87.04364	0.5
91.73339	0.7
95.98065	0.5
96.00770	44.4
96.03175	0.7
96.99163	0.9
97.01101	0.5
106.04079	0.4
106.06491	1.0
108.02054	0.5
114.01834	37.1
115.02168	0.6
118.06507	1.0
121.02811	3.3
122.03604	54.3
123.03937	1.0
124.01525	2.1
135.08026	1.2
136.01535	0.7
137.02322	5.0
150.90279	0.3
152.03444	0.4
154.02592	4.3
158.05957	0.5
160.07565	0.6
171.10152	1.8
209.07196	0.6
213.04001	0.3
228.10266	100.0
228.19116	1.0
229.10623	4.5
234.71471	0.3
236.17409	0.3
237.14954	0.8
240.10268	13.1
241.10713	0.6
244.88820	0.3
249.14890	0.6
254.11812	2.2
271.58719	0.3
282.11411	2.3
283.10825	1.4
284.09225	2.2
299.13840	0.6
308.09363	4.1
325.11960	21.1
325.20248	0.9
326.10315	1.6
326.12781	0.5
343.13010	59.9
343.21155	3.1
344.13342	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.7
57.41866	0.5
59.01244	3.4
63.26038	0.7
72.99168	18.3
73.02807	1.5
73.45995	0.6
74.98925	1.2
75.00730	75.2
75.02335	1.4
75.02706	0.8
79.21478	0.7
80.07388	0.6
85.01106	0.7
106.12990	0.7
112.43889	0.7
119.33089	0.8
120.98949	0.6
121.02795	0.7
130.11548	0.7
130.93275	0.7
175.73840	0.7
199.00931	0.7
201.02478	2.7
264.50543	2.0
264.53522	0.7
286.00659	0.7
343.21268	100.0
344.12622	0.7
344.21591	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.7
61.98668	1.3
68.81193	1.0
72.99169	20.6
73.02816	1.4
74.99026	1.4
75.00730	87.0
75.02259	1.5
78.95775	1.9
91.73033	3.5
121.02806	2.0
138.45389	1.1
201.02518	2.6
258.08563	4.0
264.50732	1.6
268.32352	1.4
325.19998	1.4
343.21277	100.0
344.21603	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	343.2126
Annotation	2,3-dinor Thromboxane B1
Peak:m/z	Relative Intensity
59.01247	7.0
60.06055	0.7
72.98785	1.4
72.99166	19.4
73.02788	1.1
73.06179	0.7
74.99082	1.3
75.00732	72.8
75.02574	1.0
76.01050	1.0
77.35326	0.9
91.72971	2.8
92.23172	0.8
109.19711	0.8
143.10616	1.1
169.12253	1.0
191.79359	0.9
201.02463	1.9
230.26591	1.1
245.19464	1.1
249.18927	1.0
255.89789	1.0
264.50723	1.7
267.11270	1.7
275.48978	1.0
343.21268	100.0
344.21634	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.2
66.01489	0.4
69.46487	0.5
72.99167	20.0
73.02794	0.5
74.99106	1.3
75.00730	80.2
75.02531	1.2
91.45157	0.6
96.76263	0.5
99.08025	0.7
121.02840	0.6
135.34616	0.5
143.10635	0.7
179.70244	0.6
201.02477	2.1
264.50543	1.7
267.19528	1.0
305.52167	0.6
309.44916	0.6
343.21268	100.0
344.21530	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.17992	0.5
51.12720	0.4
59.01238	2.7
63.24635	0.5
77.48312	0.5
79.75030	1.0
79.75434	0.7
81.03432	0.6
115.58921	0.6
157.33020	0.5
162.51257	0.5
164.44118	0.5
178.97763	0.5
237.22031	0.6
263.23813	2.3
276.26828	0.7
281.24850	22.4
282.25162	1.2
297.24347	37.5
298.24689	1.6
307.22797	3.0
325.23880	13.3
328.57935	0.7
343.24899	100.0
344.25262	6.2
349.45432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
54.18512	0.7
58.99978	1.3
59.01241	100.0
59.02367	1.7
61.15418	0.6
64.28381	0.8
66.69524	0.8
83.42534	0.8
86.74924	0.8
89.02288	1.0
90.94981	0.9
120.97816	0.9
142.70744	0.9
155.27701	0.9
172.20828	1.5
201.02477	1.3
281.25150	1.1
283.26465	5.2
343.28531	89.7
344.28824	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	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
59.01228	0.8
60.45585	0.4
62.00152	0.5
66.16125	0.4
72.97411	0.5
72.99168	32.7
73.00742	0.6
75.00732	24.4
75.02380	0.5
83.40318	0.4
88.39534	0.5
123.03993	0.5
129.53465	0.4
153.74890	0.5
251.34677	1.0
255.23352	1.2
264.45953	0.9
293.02798	0.5
343.28558	100.0
344.28833	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	344.114
Annotation	Candimine
Peak:m/z	Relative Intensity
51.93482	0.5
53.55127	0.7
56.15258	0.8
58.85864	0.6
59.01204	2.3
60.99147	2.2
74.26718	0.7
75.93913	1.5
75.94318	1.1
83.57813	0.7
93.03291	2.4
101.91108	0.6
106.04103	30.6
108.02048	5.5
118.06470	1.5
119.04856	1.6
120.07257	1.1
120.08048	16.7
121.08302	0.7
128.03340	0.8
130.06461	1.0
130.76665	0.8
132.08060	12.3
133.02873	0.9
138.03087	2.2
144.08035	1.3
146.05998	34.8
147.06345	1.3
148.07588	3.9
150.05525	1.1
158.06007	33.9
165.97421	0.7
208.07576	0.7
212.10812	2.1
224.10735	1.3
226.12326	14.9
232.82358	0.7
236.10710	2.8
238.12346	25.0
252.10329	7.3
252.12756	1.0
256.09811	5.7
256.13440	4.4
264.10291	6.4
270.11368	96.9
271.11713	5.0
282.11432	8.6
285.03934	1.2
286.04358	1.1
294.60733	0.8
296.09280	1.4
300.12427	21.9
301.12817	2.1
314.10373	8.5
344.11414	100.0
345.11667	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	344.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00516	0.1
59.01223	0.2
61.64425	0.1
63.35600	0.1
70.95520	0.3
73.10253	0.1
73.78747	0.1
76.01785	1.0
87.53442	0.1
91.73360	0.1
93.03287	0.5
94.02815	0.4
94.64650	0.1
97.02782	0.2
106.04091	0.7
106.47891	0.3
121.02819	0.4
146.02350	0.3
147.03143	4.7
147.41112	0.1
148.03932	2.2
165.07202	0.1
168.08105	0.3
170.09659	0.8
180.08101	0.3
181.08821	0.5
182.09668	16.2
183.08171	0.1
183.10016	0.7
184.07501	0.2
186.09186	0.3
191.07214	0.2
192.08104	1.9
194.09677	2.3
195.06824	0.2
196.07635	0.8
202.02556	0.1
208.07568	0.3
209.08531	0.8
210.09186	10.6
211.07582	0.3
211.09586	0.6
218.06036	0.2
219.06837	1.1
220.05460	0.2
220.07637	6.7
221.08408	8.8
222.05540	0.2
222.08746	0.5
223.06277	0.2
236.07169	1.4
237.07933	13.0
238.08707	47.8
238.18649	0.4
239.09052	2.4
251.05901	0.3
252.06694	1.0
269.06915	1.6
288.13937	0.3
300.14066	0.3
316.13446	0.5
344.12930	100.0
345.13248	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	344.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36515	0.4
56.14761	0.4
59.01233	1.8
70.95537	1.0
76.01783	1.2
106.04068	0.7
109.44067	0.6
121.02806	0.7
123.04393	0.5
147.03133	5.2
147.83604	0.6
148.03926	1.1
150.05515	0.6
163.11183	1.2
164.11545	0.9
182.09669	13.4
183.09975	0.7
192.08127	2.2
194.09691	2.4
196.07617	1.0
203.52411	0.5
209.08543	0.7
210.09218	8.5
219.06903	0.9
220.07675	6.9
221.08415	7.8
236.07143	0.8
237.07953	13.4
238.08707	43.3
239.09044	2.3
249.51404	0.6
252.06853	0.9
269.06967	2.0
301.25369	3.3
312.10767	0.6
344.12933	100.0
345.13272	8.2
345.24463	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	344.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52397	0.2
56.19688	0.2
59.01228	0.8
70.96148	0.4
70.96477	0.2
73.19708	0.2
74.04658	0.2
79.69384	0.4
79.69779	0.3
82.62327	0.2
83.19090	0.2
106.04104	15.0
106.06508	0.5
107.04440	0.3
108.02019	2.8
117.21416	0.3
123.04404	0.5
132.08064	5.4
135.58647	0.3
138.03101	1.1
145.05197	0.3
146.09639	3.5
160.07564	1.6
169.10645	0.2
172.07629	0.4
176.07008	0.3
178.08643	0.5
179.75972	0.3
190.08646	2.5
194.09978	2.6
212.10730	0.6
224.10811	0.9
238.12343	31.8
239.12804	1.2
250.12379	5.6
251.12621	0.6
252.13937	26.6
253.14279	1.6
261.18530	0.3
296.12918	25.9
297.13315	1.2
300.14301	3.8
301.25415	0.9
307.19250	1.2
308.19437	1.3
344.13272	100.0
345.13593	6.5
345.24390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30952	0.3
56.85726	0.4
57.03309	0.3
58.00443	0.7
59.01242	30.1
59.02481	0.7
60.01550	0.3
68.45590	0.3
70.42987	0.3
70.99783	0.6
71.01240	28.6
71.02855	0.5
72.00372	0.7
72.00764	13.5
72.78955	0.3
72.99160	1.2
73.02780	0.6
83.01234	1.0
85.02795	1.4
87.00714	0.9
89.02299	43.0
90.02645	0.5
91.05392	1.0
95.01237	0.7
96.95866	0.5
101.02306	10.3
105.06061	0.3
113.02307	8.5
118.06435	0.4
119.03371	6.5
125.02370	0.4
131.03343	2.8
143.03348	2.1
147.04405	45.5
148.04764	1.1
149.04449	1.5
161.04434	2.8
164.07072	100.0
164.12796	0.9
165.07433	3.4
179.05536	9.0
184.23141	0.4
300.00455	0.4
344.11606	0.5
368.32230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00455	1.0
59.01245	7.5
59.40029	1.0
93.80552	1.3
94.02841	5.8
96.96790	1.3
104.04906	6.5
106.02843	5.7
108.04423	5.9
120.04414	14.2
121.02831	4.3
123.04369	1.4
124.03912	42.0
136.03909	17.0
138.05478	5.0
148.03926	100.0
148.08720	1.8
149.04283	2.7
160.03957	13.2
161.04704	3.0
162.05473	2.0
165.01802	5.1
166.05003	7.1
170.59138	1.4
210.09279	1.5
237.06749	3.8
239.08293	2.6
251.08359	2.5
253.09802	6.3
255.07756	5.2
265.06192	15.8
266.06921	3.8
267.07794	2.3
269.09186	1.7
278.06946	4.1
279.07779	14.2
281.09366	32.9
282.09671	1.7
285.08817	80.5
286.09027	4.2
290.97046	1.7
297.08783	18.0
307.13855	1.6
309.05560	2.7
309.08823	17.5
327.09860	34.1
328.10281	1.7
334.87326	1.5
345.10977	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77475	1.2
53.41748	1.2
58.12418	1.2
59.01245	21.2
61.05436	1.2
63.43431	1.5
66.27753	1.5
69.66694	1.3
71.01238	12.4
73.02815	2.3
83.01253	3.1
83.08318	1.4
85.02834	5.3
89.02284	8.7
93.03405	1.7
95.03680	2.0
100.73109	1.6
101.02287	9.2
106.06510	5.9
113.02335	4.5
114.01192	1.6
119.03357	3.2
123.04398	1.7
124.07549	9.0
132.04427	34.5
132.05377	2.2
133.05220	25.0
134.06038	5.4
134.80867	1.9
135.17247	1.8
138.64253	1.5
148.03915	2.1
150.05511	2.6
165.04192	20.2
171.06741	1.8
177.04283	4.8
186.09245	3.4
209.03290	5.7
213.06731	2.2
214.12384	5.4
215.11882	6.5
241.10052	2.5
248.96114	2.5
257.12958	26.2
283.10983	9.7
301.11948	20.0
345.11026	100.0
345.15607	19.6
345.24582	2.9
346.11215	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	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22412	0.4
50.40323	0.9
50.64029	0.9
51.63336	0.4
53.01612	0.4
57.67982	0.7
59.01243	4.3
61.86697	0.4
71.01231	1.1
74.06959	0.5
76.09185	0.4
80.04929	0.5
84.04400	1.0
85.02806	0.6
89.02299	0.7
95.03623	4.8
96.04400	1.2
96.08036	2.1
101.02306	0.8
104.04928	3.1
106.06483	11.2
107.03576	0.5
108.04421	0.6
112.03840	0.8
113.02311	0.6
120.04429	0.6
121.02872	1.3
122.05988	5.1
123.03150	0.9
124.07555	15.6
130.08553	0.6
132.04427	62.3
133.05219	45.7
133.06285	0.8
133.09433	0.6
134.06020	14.0
137.04747	0.6
138.05521	0.9
143.03537	0.5
148.03969	3.1
150.05519	3.2
160.03925	0.6
161.07257	0.6
165.04219	41.2
166.04529	1.2
168.06523	0.6
169.05252	0.5
176.03442	2.1
176.07057	2.0
177.04224	6.9
178.05000	3.2
184.07605	2.0
185.08368	2.0
186.09181	8.3
187.05095	0.8
187.08536	1.1
198.09193	2.5
199.04985	0.8
209.03261	10.3
213.06631	6.5
214.07080	0.8
214.12343	10.9
215.11827	12.8
226.07397	2.3
227.08264	1.1
229.09808	6.8
239.08391	0.7
239.11665	0.7
240.10272	2.2
241.09814	6.1
255.11446	1.3
257.12952	47.9
258.13275	2.6
266.24582	0.6
268.08524	0.7
283.10901	14.7
297.54590	0.6
301.11945	37.8
302.12341	1.7
327.09793	2.7
345.10953	100.0
346.11234	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.9
61.98675	0.9
71.01231	0.8
87.47707	0.7
89.02311	1.5
91.72720	1.8
97.07675	0.8
101.02295	0.7
107.04860	1.1
108.04421	2.8
120.01147	1.5
132.04404	3.8
133.05215	2.2
134.06020	1.5
136.03940	1.0
138.42282	0.9
141.05096	0.9
150.05582	0.8
152.07047	0.9
160.03957	0.9
161.04689	2.3
162.05547	2.3
171.06877	1.4
186.09221	1.2
193.03709	3.4
199.06256	1.7
213.06609	1.6
214.08702	20.3
215.08414	1.1
234.75958	0.7
239.08347	1.2
240.10249	4.2
241.06178	7.0
242.06900	2.8
257.09314	100.0
258.09647	5.3
267.07672	0.8
269.05737	1.2
273.07748	3.2
273.12482	1.8
283.10901	18.6
298.05817	1.1
299.06485	0.9
301.11993	1.9
301.25369	1.3
345.10876	7.0
345.14774	1.3
350.50992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	27.2
64.79273	4.2
69.47051	3.7
85.37466	4.5
87.27419	4.0
99.07978	5.5
119.04929	3.9
121.02808	6.0
123.71722	4.5
165.09085	8.5
165.12761	6.1
167.70949	3.7
208.11049	13.7
221.19052	100.0
256.22040	4.6
265.18115	46.3
290.97241	6.9
301.25436	34.7
309.17068	37.4
345.20728	5.1
345.24393	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
57.03310	1.9
59.01241	100.0
59.02494	2.3
70.45786	1.4
71.00867	3.4
71.01238	47.6
72.99177	2.2
73.02802	5.5
75.00755	2.3
78.41059	1.5
79.52216	1.9
83.01224	4.4
85.02805	18.3
87.00732	2.6
89.02299	63.5
90.59756	2.0
91.73354	2.5
101.02300	37.3
113.02300	22.6
114.14377	1.8
119.03364	24.6
121.10105	29.9
123.04358	2.7
143.03378	3.6
161.04477	4.7
163.97110	2.0
165.09145	1.8
174.16927	1.9
179.05609	6.4
191.07051	3.2
193.07245	2.5
227.12866	2.6
253.40530	2.5
256.19913	2.3
257.09210	3.7
290.97110	3.4
296.72415	2.0
301.25134	3.0
345.15579	53.8
346.15982	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01741	1.2
57.03320	4.4
58.00458	1.8
59.00047	1.7
59.01242	85.0
60.01577	0.9
69.03313	1.1
70.99665	1.9
71.01238	100.0
71.02984	1.3
72.01582	1.3
72.99155	2.9
73.02805	26.7
75.00738	1.7
81.03326	0.7
82.26981	0.5
83.01236	11.9
84.02053	0.6
85.00769	0.7
85.02805	43.5
86.03143	0.9
87.00736	3.8
89.00106	1.2
89.02296	58.2
89.04768	0.7
90.02635	0.7
95.01244	7.5
97.02806	2.1
99.00734	9.3
100.99644	1.3
101.02300	73.3
102.02647	0.9
108.04383	0.8
111.00748	0.7
113.02306	48.2
114.02578	0.9
117.76654	0.6
119.02509	1.2
119.03362	23.6
125.02290	2.8
129.01807	1.3
131.03407	2.9
132.04449	1.6
136.94070	0.6
143.03368	6.5
149.04459	2.2
159.02873	7.6
160.99043	0.6
161.04443	43.0
162.04791	1.1
162.16327	0.6
165.09117	6.0
169.89328	0.6
179.05551	5.5
183.10201	0.7
194.08093	0.6
205.03476	1.2
226.13499	0.7
237.03084	0.6
257.12918	0.9
297.93524	0.6
301.11780	0.9
301.16586	20.3
302.16864	1.5
321.18546	0.8
345.11353	1.2
345.15533	31.1
346.15872	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	345.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	36.7
61.05808	2.0
69.65160	2.1
73.35979	2.4
73.69371	2.0
76.52237	1.9
76.71789	2.2
81.46314	2.2
106.04061	2.9
119.04881	2.8
121.02834	3.3
123.04324	3.4
146.42979	2.3
163.11172	3.4
165.12740	21.9
189.12823	3.4
191.14403	10.4
219.17482	8.1
245.15474	3.7
248.96118	3.8
263.16513	100.0
264.17026	3.9
278.11948	3.2
290.97113	3.6
301.25406	21.7
323.77451	2.6
345.13196	3.4
345.17105	12.5
345.24167	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	345.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41353	0.6
51.67591	0.5
58.99904	0.5
59.01242	29.0
59.02409	0.7
66.33504	0.5
80.02534	0.6
89.45708	0.6
91.73034	1.2
93.03294	1.5
93.06947	0.8
95.04890	0.8
97.02799	0.9
98.66873	0.7
109.06455	0.8
113.05902	0.6
119.04894	1.7
121.06442	1.1
125.51198	0.6
131.08498	0.6
133.06451	0.7
135.08070	0.6
137.05965	5.3
139.07599	0.8
148.08823	2.6
149.09586	0.9
151.11168	1.7
163.11201	4.8
165.12756	22.8
181.60818	0.6
189.12804	2.1
191.14340	11.5
212.91591	0.9
216.07637	2.9
219.17491	9.5
227.14429	0.7
231.01027	0.7
245.15433	4.6
251.16470	1.3
263.16528	100.0
264.16861	5.8
285.14764	7.0
287.12717	2.5
290.97119	1.5
301.25394	7.8
309.20700	2.4
345.16846	13.7
345.20654	1.2
345.24081	5.0
346.17282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21733	0.4
59.01237	1.4
72.99169	16.0
72.99580	0.9
73.52695	0.7
73.53073	0.5
74.96052	2.7
75.00729	14.8
78.08033	0.5
78.32291	0.5
80.52984	1.3
80.53416	1.0
82.58018	0.6
92.02532	1.6
106.04111	5.6
108.02037	0.7
119.04088	1.1
119.04895	16.2
121.02829	8.4
130.92682	0.5
132.96558	0.6
133.06467	4.4
147.08032	0.8
161.09624	1.6
175.11166	1.0
189.12775	0.8
211.20673	1.5
241.21707	1.8
247.75330	0.6
249.18617	2.7
274.07568	0.5
287.22296	55.3
288.22614	2.9
301.25388	100.0
302.25729	4.1
345.18112	20.4
345.24365	73.5
346.18423	1.1
346.24661	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22807	0.5
59.00972	0.7
59.01240	6.6
62.92604	0.6
72.99165	27.3
74.96039	2.7
75.00730	23.2
78.55023	0.6
106.04125	1.8
119.04901	3.9
121.02811	2.4
123.04341	1.1
132.96564	1.0
133.06439	1.2
148.34906	0.7
182.84169	0.8
197.29451	0.7
211.20616	2.0
241.21732	2.1
251.21396	0.7
287.22290	100.0
288.22607	4.4
296.82126	1.0
301.25372	17.7
302.25528	1.2
345.18118	28.1
345.24359	10.8
346.18530	1.4
358.33231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84734	2.5
55.33004	2.6
57.03308	5.1
59.01237	17.0
69.03301	11.5
71.01231	4.8
97.02805	11.8
99.04395	3.5
106.04107	5.9
119.04900	12.6
120.52152	3.3
121.02827	6.9
122.03622	3.9
123.04422	7.6
133.72540	3.3
151.03864	3.3
151.07483	5.1
152.08290	4.7
161.94131	4.1
179.01373	3.2
209.15465	8.5
211.38934	3.2
236.39691	3.2
238.08449	5.9
239.09070	8.5
243.17560	23.1
243.53377	3.2
265.18085	5.0
268.77942	3.5
287.16580	31.0
290.97046	6.3
291.19693	26.3
301.25354	100.0
302.25742	4.9
307.11716	3.4
309.17261	9.1
309.20737	57.1
327.19846	4.0
345.13385	35.2
345.20163	5.8
345.24081	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	345.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	6.9
59.01239	11.3
69.03320	17.9
71.01248	11.2
71.10912	1.5
72.02016	15.0
78.95765	1.8
85.02763	1.7
95.04897	2.3
97.02811	100.0
97.06457	8.5
98.03102	2.8
99.04366	3.2
107.04855	1.8
109.06512	1.7
111.00681	2.0
119.04917	2.0
121.02837	3.2
123.04375	3.8
123.08065	6.0
124.46600	1.8
125.05954	32.1
126.06732	7.2
127.07541	6.2
130.37892	1.8
130.53319	1.9
138.24368	2.0
138.39957	1.9
139.07553	2.0
141.09099	58.5
161.09610	3.6
173.13258	2.2
175.11224	2.0
191.10672	3.2
191.14374	2.5
201.12788	2.6
203.10759	2.9
219.10265	3.2
219.13876	15.9
247.13379	4.1
248.96077	3.3
275.12851	3.4
276.13754	17.8
283.20712	3.9
290.97153	3.6
301.21817	8.7
301.25421	17.0
303.18365	2.2
316.51053	2.0
327.19629	6.1
329.70163	2.0
345.20691	32.9
345.24417	11.6
345.28156	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	345.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.0
70.99606	1.6
71.01239	100.0
73.02817	2.2
119.04897	5.1
121.02822	3.5
123.04365	3.7
129.16347	1.4
133.06432	2.6
137.02356	2.2
139.03867	4.7
162.05334	1.5
163.11209	2.2
165.12717	1.8
196.44107	1.4
206.41637	1.5
273.18759	1.6
285.18408	1.7
290.97086	3.3
301.21890	3.4
301.25330	45.8
302.25778	2.2
303.19760	2.7
327.19730	2.9
345.20688	72.9
345.24448	61.5
346.20993	3.2
346.24768	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	346.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
58.17058	0.4
59.01237	0.6
61.98689	0.7
65.53527	0.4
66.07397	0.3
66.19032	0.3
69.26817	0.3
71.01240	1.1
72.58542	0.3
72.99144	0.4
73.02834	0.5
75.00723	0.5
78.94044	1.3
78.95760	100.0
78.97737	1.3
83.01241	1.7
85.02821	1.8
86.03123	0.7
87.00744	1.5
91.72736	0.8
96.94455	0.5
96.96822	27.1
97.02799	0.4
99.00726	0.8
101.02275	0.5
107.03493	1.1
109.02838	0.5
111.00738	3.2
115.00264	1.8
122.03605	1.0
125.02303	0.5
128.03426	0.5
129.01802	1.5
130.02185	0.5
133.01335	0.8
134.04601	15.3
135.05061	0.3
138.97893	1.3
150.97922	2.2
152.07097	0.4
154.99754	9.1
173.00829	11.9
173.02327	0.7
175.02420	1.2
191.01883	1.8
192.98987	0.8
194.04842	0.6
211.00076	3.5
289.39526	0.8
301.08545	0.5
302.08948	1.2
328.00406	0.3
346.05588	31.0
347.05759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
61.20765	0.2
61.98706	0.3
62.96268	0.7
69.05941	0.2
70.22739	0.2
71.01264	0.3
71.04678	0.3
75.00722	0.4
78.94035	0.5
78.95759	56.8
78.97717	1.0
80.41013	0.5
92.02427	0.6
96.76965	0.3
96.96822	12.8
107.03496	2.4
111.37524	0.2
113.19975	0.4
117.01838	0.4
120.96835	7.0
128.03395	0.4
134.04601	39.3
135.04950	0.8
154.99710	0.6
162.97884	0.4
173.00874	0.7
192.99176	0.3
211.00073	100.0
211.08693	0.9
212.00394	2.2
284.12708	0.4
302.48080	0.3
311.62955	0.3
346.05563	10.8
347.05902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1445
Annotation	GW 9508
Peak:m/z	Relative Intensity
59.01230	4.5
59.02081	0.7
61.98696	2.3
62.88623	0.8
66.01744	0.8
82.36500	1.1
88.19573	1.2
101.01234	0.8
106.04102	6.6
106.06482	4.4
108.02034	17.1
114.78822	1.1
119.04844	1.1
121.02827	4.5
122.03565	1.1
123.04331	1.7
131.03703	4.9
132.08046	3.2
133.02835	1.9
134.02654	2.1
134.03615	21.7
142.60564	0.9
148.03955	1.1
163.00903	0.9
212.10753	3.1
220.17735	1.4
221.08376	2.1
222.09172	1.3
238.08646	1.4
238.12340	12.9
239.09445	9.0
240.10272	7.0
250.53712	1.1
263.16541	4.1
264.16751	6.6
301.25211	4.9
302.25613	5.1
345.24374	3.4
346.14496	100.0
346.24710	3.6
347.14792	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	347.125
Annotation	Achillamide
Peak:m/z	Relative Intensity
58.87041	0.7
59.01232	6.1
68.86320	0.8
71.01231	1.0
74.02321	1.0
75.00716	0.8
78.95763	8.1
90.03352	2.5
96.04401	2.3
96.95873	10.2
96.96816	20.1
106.02937	0.8
112.14040	0.8
118.06480	0.8
118.97924	0.9
122.05984	3.2
123.94311	0.8
124.03868	4.6
127.05010	2.4
127.84313	1.0
144.04462	4.1
146.05981	6.7
149.07050	0.9
162.05551	4.3
163.06300	3.7
186.09222	2.7
187.05072	1.3
187.08644	1.8
195.05280	6.3
198.09244	1.3
199.05072	1.1
199.08714	7.8
213.10167	1.0
215.08348	2.9
217.06136	2.6
217.09726	4.4
224.10777	2.5
225.06709	1.9
226.07500	3.4
229.09837	2.4
237.06854	0.9
240.90541	0.9
241.09781	14.5
242.11885	3.1
249.12392	8.1
250.55978	0.9
252.09166	1.3
259.10880	100.0
260.11221	4.6
267.11334	4.7
285.12463	28.8
286.12735	2.0
287.10513	3.4
313.80038	0.9
329.11465	1.5
339.31406	1.1
347.12335	3.3
347.16675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01965	0.6
52.22763	0.6
59.01243	7.8
59.01507	0.8
69.03335	0.7
71.01264	3.2
73.02818	0.9
75.00739	4.5
83.01273	0.8
83.04906	0.9
85.02841	2.2
95.04905	1.7
99.56542	0.7
100.00273	1.5
101.02339	2.5
110.02340	4.4
113.02346	1.1
116.07030	1.1
120.04463	1.5
120.08054	27.0
120.99577	1.4
122.02378	1.9
122.06010	1.7
123.03152	3.0
125.21710	0.8
135.03151	1.1
136.03932	12.0
137.04692	13.7
138.05498	16.9
138.06494	1.1
144.08145	2.1
146.09724	1.7
148.07661	1.5
153.03021	1.2
156.08125	3.4
162.09140	5.6
164.07076	3.9
165.04193	7.7
167.52386	0.8
169.02531	3.0
170.09721	1.8
182.09660	32.4
183.10426	3.1
184.07742	1.0
186.12895	2.5
192.06703	3.2
196.11377	2.1
198.12814	34.4
199.13289	1.2
202.08789	1.3
203.70970	0.9
212.10902	1.6
214.12393	0.8
215.09630	2.1
223.08710	1.9
224.09467	1.7
227.09583	6.0
230.11946	3.4
235.64452	0.8
237.06680	1.0
239.11952	1.8
240.09119	1.4
241.13451	1.3
242.11844	100.0
243.12160	4.6
245.09335	1.6
251.08356	2.3
252.09036	13.4
255.11452	1.9
259.08591	1.4
266.10617	0.8
267.11417	48.1
268.12015	1.9
273.09082	0.9
274.10895	12.6
285.12454	15.6
285.15295	1.1
289.08411	1.0
299.10556	2.2
311.10367	7.8
312.10767	0.9
317.11630	2.8
329.11469	17.5
330.11752	1.1
347.12540	2.7
347.17242	7.8
347.20865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82270	0.5
51.50425	0.5
57.03312	3.9
58.89693	0.9
58.89974	0.6
59.01244	5.4
65.71091	0.8
67.05893	0.7
69.03277	1.5
71.04875	6.5
72.99148	0.9
73.02772	2.5
74.58170	0.8
75.92680	0.7
80.96362	1.2
83.04855	1.6
85.02818	0.7
85.06445	5.2
87.04370	16.0
89.02286	0.6
95.04843	2.8
97.02203	0.8
97.05958	0.7
97.06453	9.2
98.89034	0.7
99.04372	3.9
109.06402	1.1
111.08041	3.6
113.05904	1.9
113.09541	1.9
115.07510	25.5
125.05881	0.9
127.07570	1.2
137.09637	0.7
139.11018	0.6
148.54488	0.7
149.09589	1.2
151.11171	5.2
167.10658	3.1
169.12233	12.3
179.10704	2.1
197.11754	28.4
213.11241	8.9
215.12836	35.1
216.13124	1.2
223.09694	1.5
231.12329	9.1
241.10797	7.9
257.68939	0.9
259.11865	100.0
260.12296	4.8
277.12933	23.3
347.17117	46.8
348.17593	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
57.41164	0.3
59.01016	0.2
59.01241	1.7
59.11460	0.3
71.04865	0.7
73.02813	0.3
74.89227	0.5
81.03298	0.3
83.04888	0.5
83.08540	0.2
85.02793	0.5
91.73418	0.2
95.04871	0.6
97.06451	4.4
99.04380	1.2
99.08007	2.4
101.02288	0.3
103.03869	15.6
103.74299	0.2
113.08850	0.3
113.09583	2.9
117.05400	0.3
120.49368	0.2
125.05934	0.8
125.09589	0.4
141.09071	0.9
141.12706	1.5
143.07024	5.7
153.12682	1.1
157.08568	0.5
163.11185	0.8
169.08626	0.4
171.13808	0.5
173.04601	0.2
181.12273	4.9
182.12506	0.3
195.10233	0.8
197.11775	4.7
199.13327	13.4
200.13710	0.4
203.52135	0.3
207.10318	0.2
215.04587	0.3
215.12834	22.9
216.13217	0.7
225.11295	3.7
243.12366	19.2
244.12680	0.8
245.16222	0.2
254.44556	0.2
259.11823	0.3
261.02740	1.0
261.13440	100.0
262.13766	4.2
347.17117	43.1
348.17532	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	347.1866
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
50.64369	0.4
59.01234	2.2
62.29113	0.4
70.83418	0.4
78.47456	0.8
79.05379	1.7
81.58691	0.4
83.04875	0.7
91.67196	0.4
94.04750	0.4
95.04845	0.4
99.15406	0.4
109.06488	0.7
117.58398	0.5
120.05669	0.6
123.04337	0.7
125.05962	0.5
135.08029	3.3
137.09549	0.6
138.05437	0.7
145.10081	0.5
149.07033	0.4
149.09605	1.4
152.01260	0.5
161.09593	0.5
163.11105	0.5
165.12727	2.6
175.07664	0.5
176.08307	0.7
177.09085	0.7
179.10756	0.5
191.10677	0.8
193.12300	2.9
212.12128	0.8
216.11476	0.8
221.30666	0.4
241.15973	1.2
243.13986	0.5
244.14732	1.5
251.14413	0.5
255.17332	0.5
257.15500	3.6
257.19135	1.8
267.17554	2.6
269.15469	0.8
273.18631	2.6
285.18604	19.1
286.18936	1.1
301.18134	1.5
303.19736	2.2
329.17673	1.7
347.18665	100.0
348.18973	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	347.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96047	0.5
57.03313	3.6
58.64810	0.5
59.01234	1.8
60.23117	0.5
67.74625	0.6
69.03325	0.9
71.01239	100.0
71.02881	1.9
72.01590	0.9
95.04883	0.6
97.02809	13.5
106.04081	0.8
109.06446	0.7
111.08023	5.0
118.10984	0.5
119.04813	0.6
125.09586	5.0
165.12764	2.7
173.04457	1.1
200.38469	0.6
203.10692	0.8
205.15958	0.7
219.13863	1.2
221.81937	0.7
232.62132	0.7
236.66652	0.9
247.57759	0.7
285.22266	2.8
287.20163	0.9
303.26306	1.7
305.21246	0.8
329.21231	17.3
330.21689	0.8
347.22250	20.3
347.26312	1.5
348.22534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10345	2.8
57.03313	9.8
59.01237	17.6
66.61687	3.4
71.01236	26.3
72.02025	12.1
73.02802	18.9
73.56908	3.6
77.34685	2.7
79.01357	3.1
83.04889	6.3
85.02808	3.1
87.04373	100.0
96.95842	3.3
97.06438	8.8
97.59545	3.5
109.06483	6.3
128.10677	6.4
128.91325	2.8
135.11694	9.6
139.07541	13.9
149.13235	46.1
153.09117	7.1
153.70705	3.3
163.14828	27.0
178.73488	3.5
196.86462	3.7
200.97020	3.5
203.18036	12.5
231.21274	4.1
259.20697	15.3
265.14764	6.8
267.21320	7.2
275.20453	4.9
285.22348	18.0
303.23389	23.3
346.27466	8.6
347.22278	11.4
347.28076	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	348.1606
Annotation	Fenpropathrin
Peak:m/z	Relative Intensity
51.96589	0.2
56.62648	0.2
59.01240	0.6
61.03093	0.2
67.01736	0.2
80.02506	0.3
81.03321	0.7
83.13831	0.2
85.02804	0.2
91.05388	0.7
93.03323	2.0
95.01240	0.4
95.04880	5.0
101.21321	0.2
105.03340	0.5
105.10231	0.2
106.04106	4.5
106.06493	0.5
107.04900	2.1
108.02034	1.9
121.02826	4.5
122.03606	8.6
123.00620	1.1
123.04387	96.0
123.07645	1.0
124.01557	0.3
124.04723	2.6
124.25036	0.2
128.79289	0.2
129.38930	0.2
134.03618	0.3
135.04396	16.5
136.04755	0.5
137.02319	0.7
153.69777	0.2
154.02580	0.4
187.06721	0.4
198.06876	0.3
212.10764	7.5
213.11078	0.3
224.10754	2.4
230.05905	0.2
241.11058	1.3
305.11780	0.8
348.16061	100.0
349.11111	0.9
349.16391	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	349.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	25.8
61.98722	3.3
67.25452	1.9
69.18035	1.6
70.83723	2.0
71.01243	12.6
73.02830	3.0
73.79925	2.0
78.19765	1.8
83.01254	3.6
85.02827	8.4
87.00737	2.1
89.02338	3.7
96.95909	7.2
97.16275	2.2
101.02304	11.2
107.04942	7.2
113.02328	4.3
133.47739	2.2
151.03899	20.0
217.30031	2.5
266.34875	2.6
286.43185	2.5
313.09299	100.0
314.09760	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	349.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	1.0
61.98703	0.4
66.03340	0.6
68.04900	1.4
73.02794	0.4
73.36488	0.3
80.04907	1.1
80.54952	0.3
94.06475	14.2
95.04869	1.6
95.06818	0.3
96.04375	0.6
106.02832	0.6
108.04422	4.9
120.99442	0.5
121.05215	1.6
122.05984	100.0
122.09737	1.2
123.06322	2.5
124.03915	1.7
131.91057	0.4
136.03923	4.4
138.05484	0.7
139.65396	0.4
146.04768	1.1
147.05548	2.2
148.07559	5.8
153.04184	1.0
166.04994	15.8
171.06741	0.6
188.09360	0.6
188.10822	0.6
199.08705	0.6
200.10754	2.3
201.07874	0.6
201.10248	0.5
210.07954	0.5
213.06732	0.7
214.07350	0.5
215.11906	1.2
216.10255	2.8
217.13416	27.2
218.13795	1.1
225.10394	1.2
226.08749	0.7
228.08923	0.4
233.84999	0.4
243.11368	30.8
244.11702	1.5
251.77080	0.4
261.12439	23.3
262.12897	0.7
269.09351	1.5
287.10370	14.6
288.10910	0.6
289.11868	0.5
305.11450	15.0
305.14984	1.0
306.12018	0.5
331.09341	0.7
349.10397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1083
Annotation	[6'',6''-Dimethylpyrano(2'',3'':7,8)]-2'-hydroxy-4'-methoxy-3-arylcoumarin
Peak:m/z	Relative Intensity
54.22041	0.8
55.66698	1.1
56.14203	0.7
57.03298	1.2
59.01239	5.1
61.98690	1.0
65.03807	1.6
69.03320	0.9
70.64917	0.8
71.01224	1.3
73.02785	0.9
81.49969	1.3
83.04854	1.1
85.02805	1.4
90.32706	0.9
93.03316	31.6
106.04102	2.1
107.04889	60.3
108.02030	1.8
109.02776	1.1
113.02325	3.4
114.38477	0.9
121.02822	79.7
121.06345	1.5
122.03655	2.3
123.04407	2.6
127.07528	1.9
135.07971	1.2
137.02278	1.2
139.07539	1.1
140.30931	0.9
142.48486	0.9
153.09106	1.5
178.09875	2.2
182.09460	1.3
189.12846	2.4
195.42389	1.0
198.06807	40.0
199.07153	2.5
200.04678	1.3
210.06850	2.3
211.07617	11.2
212.08453	1.1
228.07883	2.3
229.08736	2.3
230.05817	25.8
231.06142	1.2
233.11787	1.6
235.13443	3.2
262.12173	2.2
280.12939	1.7
287.20068	1.9
305.11844	80.1
306.12125	3.4
313.18329	2.3
331.19159	5.0
348.16080	2.2
349.10831	100.0
349.20142	3.1
350.11197	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	349.187
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
52.07398	0.7
57.03297	1.8
58.00473	1.1
58.44655	0.7
59.01020	0.6
59.01244	8.1
69.03320	1.3
69.66750	0.7
70.51194	0.7
71.01244	4.4
71.04881	1.9
72.10278	0.7
73.02787	0.8
74.37809	0.7
75.66398	0.8
81.03304	2.1
83.04906	1.6
85.02815	3.1
87.04353	4.2
89.02291	1.1
95.04881	1.9
95.82594	0.8
96.95868	0.8
97.06458	1.5
99.04379	3.9
101.05937	4.1
109.06431	2.5
111.04369	1.0
111.07985	1.0
113.05960	1.3
117.05460	6.0
120.81438	0.7
121.06451	2.3
123.04430	1.3
123.08030	1.3
124.05174	1.6
125.05906	2.1
127.07468	0.9
139.07521	7.2
151.07492	1.1
177.08945	1.2
179.09296	0.9
179.10741	2.6
208.18335	0.9
231.12358	1.4
281.25739	0.9
313.16617	2.4
331.17773	2.1
340.31116	1.1
349.18698	100.0
350.19073	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	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28279	0.6
59.00061	1.7
59.01242	100.0
59.02572	1.4
63.58968	0.9
76.57068	0.6
190.97841	0.9
217.12274	0.9
269.56427	0.8
277.00412	0.8
277.04025	0.9
289.18176	3.9
349.20349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	Methyl 2beta,3beta-dihydroxy-8(17),13E-labdadien-15-oate
Peak:m/z	Relative Intensity
59.01225	1.3
65.13853	0.6
71.01236	0.9
71.04878	2.6
73.02803	8.4
73.49565	1.1
79.33414	0.6
79.46176	0.6
79.95583	2.7
81.03315	1.3
83.04880	9.5
85.02802	1.8
87.04355	1.5
95.04861	1.7
97.06441	5.6
109.06438	2.8
123.07986	0.9
125.09607	1.0
131.43361	0.7
133.06444	0.8
135.07947	1.0
137.09627	4.8
149.09610	3.9
151.11182	5.3
181.12437	0.8
197.34187	0.7
203.10741	0.9
205.15887	0.8
237.77852	0.9
255.21107	1.2
257.19070	1.0
273.22253	100.0
274.22610	6.9
275.20102	1.2
289.21756	4.9
299.20151	14.6
305.24899	2.7
317.21234	59.9
318.21585	2.8
335.22318	1.2
349.23883	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	349.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65873	2.3
57.03322	6.3
59.01227	4.6
69.03304	3.2
71.01238	11.6
71.04878	3.6
72.02013	20.5
73.02802	13.6
75.63253	3.4
84.49129	2.8
84.58916	3.3
85.06522	2.6
87.04372	100.0
94.49109	3.8
97.06464	3.9
99.04368	5.2
109.06457	4.7
123.08037	3.8
127.11201	3.7
137.09618	3.9
139.07521	24.9
153.09087	19.4
153.12737	7.9
205.19627	14.1
219.44791	3.4
233.22763	6.8
251.93394	3.4
261.22180	31.9
269.22916	8.2
275.23947	4.4
277.21793	14.2
287.23871	20.7
303.23340	5.9
305.24905	61.1
315.28510	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	350.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	6.4
71.01197	1.2
72.97380	1.4
86.02333	9.4
90.96269	1.4
90.98449	100.0
91.00844	1.7
100.00883	1.2
116.01601	1.5
128.03447	1.6
136.40234	1.3
156.79367	1.4
167.10670	19.7
171.10162	5.3
178.01729	12.2
181.76042	1.4
183.08409	3.1
185.11752	5.4
201.09483	53.4
219.10564	16.8
245.08496	21.1
257.99713	1.3
263.09595	35.9
288.12820	9.2
306.13782	4.0
330.28186	1.3
332.11646	6.9
350.12778	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	350.1512
Annotation	Phenylalanyltryptophan
Peak:m/z	Relative Intensity
53.09733	0.4
59.01234	2.1
59.01494	0.4
59.44794	0.5
62.97226	0.4
66.03342	0.7
66.46888	0.5
67.02856	1.6
70.37422	0.4
73.08660	0.4
80.03647	1.6
81.02560	0.9
81.04437	63.1
89.45633	0.4
91.72710	0.5
93.04440	22.6
104.55351	0.5
106.04112	9.1
106.06522	2.4
108.02018	2.0
118.06480	1.9
137.03432	3.7
138.03154	0.6
143.56969	0.5
144.42406	0.5
146.05977	0.7
158.05934	0.8
192.95741	1.0
198.10274	3.8
199.10938	0.6
200.11803	1.4
212.10753	12.5
213.11090	0.7
224.10767	14.0
225.11098	1.0
238.12247	0.7
249.30286	0.5
300.98199	1.7
301.01392	0.6
304.11365	0.9
304.14594	12.1
305.14844	0.6
306.16125	13.8
307.16476	1.0
308.03278	0.5
332.14008	2.7
350.15128	100.0
351.15448	6.6
364.50845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54924	0.2
59.01242	0.8
61.56027	0.2
63.02264	0.9
65.00185	1.7
69.47975	0.2
71.01267	0.3
80.91550	1.2
83.01241	1.0
84.73796	0.2
93.03353	0.2
99.21299	0.2
105.03331	0.6
106.23457	0.2
107.01254	3.7
109.80595	0.2
117.00141	0.2
117.03324	13.0
118.03677	0.4
119.41966	0.2
121.02823	0.8
122.20248	0.2
146.06055	0.3
149.02322	6.3
151.00259	6.9
151.05583	0.2
159.04431	1.6
169.01277	0.2
169.06503	0.2
171.73534	0.2
180.05748	0.6
181.06538	1.0
182.03679	0.2
183.04436	1.0
192.95811	1.0
196.05280	0.3
197.06010	0.6
201.05507	1.4
224.04808	0.5
225.05528	3.1
226.05714	0.2
227.03452	1.4
269.04575	100.0
269.17206	0.7
270.04922	5.8
270.07306	0.1
308.09174	0.3
311.03522	0.2
351.14288	0.4
360.89713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44527	1.0
57.03317	1.1
59.01244	34.2
61.98691	1.8
62.74984	1.2
66.97816	1.0
71.00915	1.6
71.01244	15.3
72.00763	3.2
73.02795	1.0
74.02331	2.9
78.95750	3.1
85.02811	3.2
87.00741	1.6
89.02300	21.4
90.47579	1.4
95.01218	1.4
96.95872	4.3
96.96836	6.0
101.02301	12.9
113.02296	7.9
116.04921	12.3
119.03363	8.7
135.04407	24.5
142.06503	4.1
151.03873	4.2
156.34166	1.4
161.04465	2.3
167.66664	1.3
171.06569	2.0
189.07585	2.2
203.08202	31.9
234.91617	1.2
279.28632	1.4
315.10889	100.0
315.25882	1.6
316.11133	3.3
342.89856	1.4
351.08282	1.6
351.14557	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	351.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26673	0.8
57.03305	1.7
57.63842	0.9
59.01242	10.0
62.65507	0.9
63.57131	0.8
64.42155	0.9
67.01746	2.0
68.52243	1.5
69.86981	0.8
71.01237	1.4
71.04872	2.8
73.02795	1.5
76.81493	1.0
79.08785	0.9
81.03300	2.4
82.08280	1.0
83.04875	5.7
85.02828	1.1
85.06435	1.0
89.02289	2.1
91.03857	2.5
94.02848	10.2
95.04890	6.8
97.06427	3.2
99.04368	2.9
102.61738	1.1
107.04915	1.3
108.04408	10.6
109.06438	1.7
110.02377	1.7
110.05946	2.6
111.08006	5.7
112.11715	1.0
113.05937	4.7
115.07532	5.5
120.04425	1.3
122.02332	2.2
122.05984	20.2
123.03127	7.4
123.08070	1.2
124.03914	4.8
129.09091	2.0
133.56190	1.1
134.02240	1.4
134.05975	11.1
136.03918	35.9
136.07521	1.8
137.04677	1.8
137.05928	1.2
137.09547	1.3
138.05489	39.7
147.05524	3.2
148.03868	1.4
149.09528	2.0
150.05495	37.4
151.06297	5.2
151.11188	1.8
152.07080	13.8
156.06573	2.0
160.61586	1.0
161.07027	1.5
163.04982	1.3
164.07095	1.3
167.10640	8.1
168.06580	2.0
169.12274	6.6
172.07512	1.6
175.04962	5.2
179.10738	1.1
184.07547	2.6
185.08284	1.6
185.09694	2.7
186.09171	1.3
187.08690	1.8
188.07129	2.5
195.05287	15.4
196.06068	3.3
197.11763	13.8
199.08614	1.7
200.10753	4.2
202.08737	3.7
203.09573	1.5
204.10307	5.3
210.09187	1.8
212.05804	6.3
213.06633	3.8
213.08241	1.8
213.11247	5.4
214.07466	1.9
215.12837	18.3
216.10326	1.9
217.07413	2.1
218.08183	1.2
218.11873	1.2
227.08185	17.3
228.08688	24.0
229.09697	13.9
231.07587	2.2
231.12408	15.3
236.23564	1.2
238.51880	1.2
241.06223	1.4
241.10806	3.0
242.06848	1.5
243.07620	1.5
243.11363	13.2
244.08566	2.6
245.09312	2.3
246.11342	16.6
247.10809	8.7
253.09895	2.2
256.08594	3.6
258.09985	1.5
259.11935	26.6
264.12601	1.5
271.10892	100.0
272.11392	5.0
273.08838	6.6
277.12927	89.2
277.25690	1.1
278.13162	3.0
289.11948	78.8
290.12326	3.5
291.09906	6.5
301.30505	1.1
303.09692	2.2
307.12973	8.6
315.09921	3.8
315.13345	1.2
321.10794	5.1
333.10797	6.1
333.19232	2.1
350.39728	1.1
351.12231	2.5
351.16571	78.9
351.20367	22.9
352.16931	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24410	0.6
58.34410	0.6
59.01246	3.5
69.03309	1.2
70.77593	0.6
72.66581	0.7
81.03319	1.6
83.04885	1.3
85.02822	0.8
85.22173	0.7
86.77447	0.7
94.02816	0.8
95.04872	3.1
96.04438	0.8
98.02341	10.9
98.46286	0.8
99.04405	1.4
102.14832	0.7
107.03670	0.7
108.04413	3.8
110.02338	23.7
111.48927	0.7
112.03905	5.9
113.05962	1.6
116.50728	0.8
120.04422	3.2
121.05216	4.6
122.02357	3.1
122.05981	8.1
123.03088	1.3
124.03902	5.5
125.01056	4.9
126.05537	0.9
134.06018	5.2
135.03117	0.8
136.03918	20.6
136.07559	100.0
136.11870	1.2
137.04744	0.9
137.07890	3.0
138.01814	3.8
138.05475	1.2
139.02643	2.3
140.03415	29.3
140.04497	1.7
148.07611	1.4
150.05484	3.8
151.02652	0.9
152.03430	12.9
153.04117	1.3
154.04973	13.6
160.07559	0.9
161.04753	0.9
161.09639	0.9
162.05511	1.5
162.09152	1.9
165.04181	2.4
166.04970	1.4
168.06673	2.1
170.04495	94.7
170.10699	1.1
171.04900	2.2
175.06238	1.0
176.07098	0.9
178.08574	0.9
183.05290	6.1
184.06056	3.0
184.07614	1.4
186.09239	2.1
187.06273	1.5
188.07083	1.6
190.12424	1.0
198.09155	0.9
199.08711	1.5
200.07149	1.2
201.07886	3.0
202.08704	2.0
204.06697	0.9
204.10269	4.3
212.05865	2.6
213.06540	1.7
214.07349	0.9
215.08145	0.9
216.10258	8.6
217.07518	1.0
227.08238	9.6
228.08864	12.8
229.06174	2.2
229.09761	11.5
231.07742	1.4
231.12367	1.6
232.12569	1.5
233.12894	1.2
234.11345	9.5
241.10013	1.2
243.07729	1.3
243.11337	3.1
244.08559	2.1
245.09285	2.1
246.11304	1.7
247.10889	20.9
259.08002	1.4
259.10880	16.1
271.10913	23.6
272.11295	1.3
273.08847	0.8
277.11963	1.7
289.08691	1.1
289.11966	23.1
291.09998	2.7
303.09912	7.1
307.13007	6.7
321.10907	3.9
325.80740	0.8
333.10880	0.9
351.11957	18.8
351.20248	16.0
352.12234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.5
59.01243	9.0
61.98703	0.8
65.01862	0.8
69.03314	2.1
71.01242	2.9
71.04876	3.3
72.99165	1.5
73.02804	3.5
78.07201	0.9
81.03318	1.5
83.04879	5.1
84.98795	0.9
85.02821	1.4
85.06480	1.9
89.02291	2.5
91.03850	1.8
94.02851	1.3
95.04874	3.6
95.45931	1.1
97.06437	1.6
99.04372	3.5
99.07986	1.3
101.05941	3.7
108.04421	1.8
109.06441	2.1
111.07999	6.2
113.05944	3.1
115.07505	5.0
117.05446	2.4
122.05978	2.9
127.07517	2.0
129.09087	2.6
134.05972	1.3
136.03912	4.0
136.07492	1.2
137.09613	2.0
138.05489	5.5
139.07539	1.4
144.41597	1.0
144.84264	1.0
149.09607	6.9
150.05501	4.5
152.07076	1.2
167.10651	8.0
169.12265	5.4
179.10602	1.5
185.11830	1.1
192.95741	3.1
195.05269	1.8
197.11766	12.7
213.09561	1.0
213.11299	4.3
215.12860	15.1
227.08200	1.1
228.08981	3.5
231.12372	13.8
241.10794	3.5
243.11452	2.0
246.11385	1.7
259.11911	22.6
261.13547	1.3
271.10858	11.9
277.12921	66.1
278.13397	2.8
289.11996	6.6
307.12866	1.4
333.19186	5.4
351.16507	52.9
351.20303	100.0
352.16888	3.8
352.20691	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51040	0.5
55.01748	1.2
57.03320	0.9
57.61861	0.7
59.01244	14.6
71.01237	9.6
71.04896	0.7
72.99176	0.9
73.02393	1.5
73.02806	30.0
83.01256	2.5
83.04894	1.4
85.02821	6.2
89.02281	3.4
91.44298	0.6
95.01276	0.8
99.00755	1.7
101.02309	9.9
107.04926	1.5
113.02325	3.9
115.92044	0.7
119.03403	0.9
124.03902	1.8
125.05959	1.8
125.09652	1.2
136.07579	0.8
138.03143	0.8
143.10696	1.8
146.08083	1.8
151.03893	0.9
152.04645	0.9
153.05453	8.4
159.02927	0.9
161.04463	2.5
169.04956	1.5
171.10211	2.8
189.11218	4.5
196.06042	5.3
211.86130	0.7
219.07913	0.7
233.09338	0.7
264.08359	0.8
271.10635	0.9
271.13516	0.9
277.13019	1.1
291.09982	2.9
315.10812	2.6
351.16656	100.0
351.19897	3.9
352.17023	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	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48996	0.2
57.03314	1.0
58.00447	0.6
59.01004	0.2
59.01244	1.9
62.44744	0.1
66.73859	0.2
69.03301	1.7
71.01230	0.8
71.04878	2.7
72.99168	0.3
73.02801	1.0
81.03307	0.6
83.04874	2.5
85.02767	0.3
85.06417	0.2
87.04368	2.1
95.04901	0.5
96.16401	0.2
97.02820	0.2
97.06450	0.8
99.04374	2.1
99.08012	0.2
101.05939	2.5
109.06442	0.3
110.53073	0.2
111.08039	1.4
113.05844	0.3
115.07502	0.5
117.05438	4.2
121.10069	0.7
123.08041	1.2
124.05165	0.5
125.05965	0.4
125.09585	0.2
127.07463	0.2
129.09070	0.8
135.07993	0.3
137.09608	1.2
139.07518	1.3
139.11218	0.3
141.09079	1.6
149.09601	7.3
151.07558	0.2
153.09105	0.3
159.10126	0.7
161.09578	0.4
167.10663	2.5
179.10744	1.4
181.12305	0.3
183.10168	0.3
185.11697	0.3
191.14340	0.3
197.11778	2.0
198.12042	0.2
215.12828	0.5
217.14456	0.7
221.15437	1.2
231.12349	0.9
261.13428	0.8
283.18402	0.3
305.19534	0.5
331.46765	0.2
332.81796	0.2
333.19257	3.3
334.19510	0.2
349.18988	0.3
351.20258	100.0
352.20575	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
58.00452	0.8
59.00975	0.2
59.01246	2.1
65.07185	0.2
66.26691	0.2
69.03304	1.4
71.01250	0.4
71.04881	2.6
72.05223	0.2
72.99146	0.3
73.02804	1.0
81.03310	0.8
83.04881	2.0
85.02794	0.5
85.06455	0.3
87.04375	2.4
95.04866	0.6
95.26083	0.2
97.06443	0.5
99.04369	2.4
99.08009	0.3
101.02243	0.2
101.05932	2.1
108.55685	0.2
109.06438	0.5
111.07992	1.4
115.03831	0.2
115.07496	0.5
117.05437	3.9
121.06452	0.3
121.10106	0.9
123.08039	0.9
124.05166	0.6
125.05972	0.3
125.09602	0.2
127.07505	0.4
129.09096	0.6
135.08063	0.3
137.09618	0.9
139.07512	1.0
139.11105	0.4
141.09100	1.4
149.09610	7.2
150.10089	0.2
151.11169	0.2
153.09056	0.3
159.10158	0.8
161.09596	0.4
165.09105	0.2
165.12720	0.3
167.10687	2.2
169.12280	0.4
179.10727	1.3
181.12262	0.5
183.10229	0.2
197.11743	2.1
215.12825	0.8
217.14384	0.6
221.15445	1.2
231.12373	0.7
231.15845	0.2
251.16437	0.3
255.16019	0.3
261.13483	0.5
305.19638	0.5
333.19250	2.8
351.20261	100.0
352.20633	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2179
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
55.01743	1.7
57.03106	0.9
57.03318	9.7
59.01238	11.9
69.03302	4.3
71.01236	2.0
71.04877	1.0
72.99157	1.6
83.01243	1.9
83.04884	2.1
84.02010	3.7
85.02806	36.3
91.73034	4.3
97.02811	2.3
97.06454	4.3
113.02299	2.1
121.09979	1.1
128.14206	1.1
149.09601	4.2
150.94725	1.8
152.25957	1.3
159.04431	1.6
163.43443	1.0
167.10681	53.5
168.11053	1.6
179.14323	1.0
185.10399	1.3
186.95499	1.6
191.14343	2.6
192.95760	12.2
205.12236	1.3
207.13853	5.0
223.13374	2.1
235.13280	5.4
245.15509	1.3
254.40854	1.6
263.90836	1.3
307.15375	1.4
333.13358	1.8
351.14572	9.3
351.21783	100.0
352.22086	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
50.60653	0.2
53.28885	0.3
53.54495	0.2
58.73330	0.2
59.78674	0.2
63.24087	0.2
69.20345	0.2
83.66566	0.3
85.06467	0.4
87.04371	0.6
101.11821	0.3
106.00893	0.2
198.39223	0.3
213.29012	0.3
233.15430	0.6
245.15359	0.3
263.23917	0.4
275.23993	0.4
277.18066	0.5
307.26410	1.2
315.12381	0.3
319.22812	10.1
321.24356	0.6
351.07986	0.9
351.25439	100.0
352.25784	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	353.1973
Annotation	Cinnamodial 11alpha,12beta-dimethyl acetal
Peak:m/z	Relative Intensity
50.33150	1.1
56.96209	1.5
57.03310	2.9
59.01235	4.5
69.03315	15.2
71.01232	8.1
71.04874	11.7
72.02009	7.8
73.02806	11.9
83.04876	3.8
85.02821	1.8
87.04369	36.4
87.06719	1.5
93.03339	1.7
97.06451	8.4
99.04359	2.7
109.06463	2.6
123.08026	3.4
133.10078	2.4
137.09589	7.1
139.07431	2.6
143.97205	1.8
152.91611	4.9
161.13237	2.2
177.12706	2.5
179.14311	5.5
189.12790	5.4
194.92705	3.0
194.95522	2.8
201.16492	2.4
205.15938	2.3
207.13887	11.3
215.14348	5.4
216.89244	1.6
223.13446	2.3
223.16949	5.3
227.14337	2.0
233.15454	13.0
251.16522	100.0
252.16833	3.4
273.18536	2.1
291.19711	2.8
352.91846	3.4
353.14355	3.0
353.19647	7.6
353.23218	3.9
354.19247	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	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.0
59.84766	0.7
71.01223	1.7
71.21841	0.8
73.02795	2.4
76.00343	0.8
79.95592	9.7
80.96361	1.2
88.90778	0.7
89.02291	2.7
93.03315	4.7
94.97955	1.3
95.95090	3.8
96.95869	80.0
96.98269	1.3
105.06077	0.7
111.04362	1.3
122.60004	0.8
122.97421	4.3
132.30786	0.8
137.02325	1.7
151.84955	0.8
155.03383	1.0
163.72723	0.8
173.04439	7.2
179.05568	0.9
180.25996	0.9
291.27051	1.9
309.27911	2.5
335.26013	1.1
353.01083	1.1
353.20059	100.0
353.26511	11.1
354.20651	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	353.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88340	0.6
52.64327	0.7
57.03308	3.7
57.61549	0.8
59.01237	3.9
65.03806	1.3
66.73708	0.6
68.74160	0.7
69.03307	3.2
71.01247	0.7
71.60205	0.7
73.02810	0.9
79.05396	1.1
83.04855	1.0
91.73322	1.5
93.03305	2.1
95.01193	1.0
95.04880	5.0
97.02808	7.7
105.06987	1.0
106.04107	6.3
107.04893	28.2
108.01991	1.0
108.05205	1.4
109.02814	7.5
112.54369	0.8
117.06852	0.8
119.04899	1.5
121.02792	0.8
121.05585	0.8
121.06461	16.7
121.31827	0.8
122.03606	1.4
123.04383	13.6
125.05996	1.0
131.04910	4.5
134.28932	0.9
135.08022	0.7
147.04402	1.2
147.11636	1.1
148.05197	4.0
149.05968	100.0
150.06314	3.0
152.40277	0.9
159.11716	1.2
161.05971	0.9
162.06763	1.6
162.54230	0.8
173.04468	2.5
173.09724	1.1
173.13225	3.9
175.07524	0.8
185.13174	1.4
187.11273	1.3
188.08289	1.0
199.15022	0.9
201.09149	1.6
211.00752	1.7
211.14861	1.9
213.12769	0.9
214.09938	2.1
215.10736	1.8
229.12303	1.5
239.14285	1.6
240.15181	3.1
241.12341	2.2
255.13841	6.9
283.13367	1.3
284.14209	1.8
291.21274	1.4
295.22882	1.4
309.22055	1.0
335.20151	5.0
353.21512	22.0
354.21848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.27594	0.1
55.14611	0.2
56.02582	0.1
57.82161	0.4
59.01230	0.5
60.69827	0.2
63.79649	0.1
71.01234	0.2
72.93524	0.1
73.02798	0.3
79.95569	0.2
81.88087	0.1
83.29355	0.3
83.32780	0.1
89.02325	0.2
93.03308	0.6
93.57008	0.1
93.78033	0.3
96.95879	1.3
99.77944	0.2
109.58778	0.2
111.04353	0.2
119.52747	0.1
136.95656	0.2
137.02359	0.3
145.74321	0.1
147.08046	0.3
161.05972	0.3
162.06688	0.2
163.05774	1.0
163.11183	96.0
163.17159	0.8
164.11523	3.8
164.12906	0.2
173.04440	1.1
177.02998	0.8
177.09120	73.6
177.15892	0.6
178.09467	2.4
179.05638	0.2
190.09872	0.3
194.05797	0.2
222.09070	0.8
222.10802	0.1
255.53990	0.2
314.92841	0.2
353.21240	100.0
354.21597	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	353.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64452	0.4
51.50584	0.4
59.01252	1.3
61.65499	1.5
75.24977	0.4
75.29440	0.4
79.90212	0.4
79.95601	0.7
80.54962	0.4
84.83786	0.4
91.72655	0.5
96.95879	2.0
99.92457	1.4
99.93134	0.4
100.55807	0.4
101.02390	0.5
102.41676	0.5
107.92578	0.4
129.77567	0.4
132.98505	0.5
173.04453	1.2
183.01146	5.3
197.02654	1.3
197.18932	0.5
223.20630	3.5
225.22205	51.7
226.20552	0.6
226.22461	2.7
253.21765	1.2
268.57242	0.5
271.22806	100.0
272.23126	4.2
332.90253	0.6
353.21588	12.1
353.30545	1.2
354.15100	0.6
355.57520	0.5
368.24100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20858	1.0
52.43451	1.2
55.31189	1.0
59.01235	5.2
59.65778	1.1
60.69777	1.2
84.46044	1.2
91.73298	1.3
125.05952	1.3
149.05954	1.3
170.05742	3.6
173.04500	3.0
183.01122	17.0
205.15903	2.9
223.17001	4.4
249.05348	1.5
249.14955	82.5
250.15300	4.0
251.16507	30.6
251.19101	1.8
267.16034	100.0
268.16397	4.8
271.22662	1.4
308.90601	3.0
311.10715	1.3
335.22342	17.9
353.17908	28.1
353.23236	6.6
354.18076	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	353.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.6
71.04891	1.3
74.31637	0.6
75.02223	0.6
89.02289	0.9
105.70094	0.6
107.45129	0.7
116.75124	0.7
123.07974	0.8
125.09602	6.3
127.11140	2.8
138.06706	0.9
151.11179	1.4
153.09152	0.8
153.12801	1.0
157.08621	0.7
163.11171	1.2
165.12738	2.8
170.05791	2.9
171.10175	100.0
172.10542	3.1
173.04492	2.3
179.10683	10.9
181.12256	38.0
183.01169	2.5
194.95503	1.3
195.10217	2.5
203.14212	0.7
219.17506	1.6
263.16513	11.5
268.90588	0.7
273.22168	0.8
281.17737	0.7
315.14990	0.7
317.21188	6.6
335.22305	6.0
353.17978	4.3
353.23532	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	353.2337
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
54.48741	1.4
57.03319	8.1
57.03571	1.4
59.01243	10.6
69.03313	4.6
73.02812	3.3
75.55861	1.9
76.53502	1.6
83.04908	3.1
84.02036	2.3
85.02806	31.1
88.98827	1.9
91.72859	4.0
91.73373	2.7
99.29851	1.8
120.11939	1.7
134.99721	1.8
148.84576	1.8
149.09601	4.5
152.91704	3.4
153.29784	1.7
167.10681	58.9
173.04431	2.3
174.93707	1.8
184.48645	2.1
191.14433	4.1
194.92804	4.1
194.95552	6.0
223.13412	3.8
226.88602	2.5
235.13383	5.3
270.61304	2.1
309.20709	3.0
332.28265	1.9
346.10913	2.1
352.91919	3.7
353.23370	100.0
354.23825	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	353.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26850	0.5
57.03324	1.1
58.07582	0.5
59.01212	1.1
59.04168	0.7
59.48242	0.5
69.58325	0.5
71.01251	1.2
72.02027	2.0
72.82173	0.5
73.02795	0.6
80.80622	0.6
87.04375	1.8
87.27582	0.6
89.79586	0.6
96.95871	3.0
108.69231	0.6
121.51154	0.6
124.03659	0.6
124.04788	0.7
173.04573	1.2
183.01129	9.6
193.71214	0.6
202.21899	0.6
208.44205	0.7
249.43869	0.7
254.03830	0.7
265.25412	22.6
266.25726	1.5
279.26941	4.8
281.24915	4.8
290.28278	0.6
291.26929	1.2
307.26471	1.0
309.28018	100.0
310.28329	6.2
353.21628	18.3
353.30392	1.3
354.21982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0826
Annotation	(R)-Sulindac
Peak:m/z	Relative Intensity
55.78076	10.4
59.01244	75.6
61.72734	11.1
71.04847	12.1
101.23692	13.1
112.26192	14.9
119.04909	14.9
120.34854	12.8
121.02819	100.0
174.10313	15.7
199.00624	24.7
311.09259	98.1
312.16013	34.0
355.08194	55.8
355.15802	73.7
355.24979	36.4
356.15146	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	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.04056	0.3
56.94591	0.3
59.01244	3.1
59.59187	0.4
71.01242	1.7
71.44660	0.3
72.00809	0.4
74.12986	0.3
76.18215	0.4
83.01223	0.4
85.65423	0.4
89.02309	1.3
91.73050	0.5
91.97031	0.4
92.24657	0.4
101.02308	0.9
106.04098	0.7
113.02322	0.6
121.02853	1.0
123.04411	0.4
128.03421	0.7
133.02841	1.9
134.03615	69.7
135.03996	1.5
137.02332	7.2
139.03870	2.4
144.69250	0.3
147.04399	0.5
149.05969	18.6
150.03122	0.5
150.06345	0.6
160.01555	1.6
175.03888	2.1
178.02632	33.8
178.09084	0.4
179.02980	0.7
193.04994	100.0
194.05354	2.5
202.06595	0.4
221.08104	0.9
227.13934	0.8
227.44566	0.4
235.06067	0.7
247.06183	0.6
264.46393	0.4
265.07111	0.6
279.54813	0.5
319.14105	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	355.1401
Annotation	CHEBI:70615
Peak:m/z	Relative Intensity
52.91944	0.6
55.01744	1.8
57.03301	2.0
59.00973	1.0
59.01244	15.9
71.01238	11.3
72.99173	0.8
73.02801	6.3
77.92287	0.6
81.82080	0.6
83.01247	3.9
84.42574	0.7
85.02806	9.2
87.00719	1.6
89.02309	0.8
95.01266	0.9
99.00720	2.1
101.02306	8.6
102.05479	1.2
113.02307	4.6
115.10761	0.7
128.03406	1.1
131.04494	1.2
146.04500	1.8
149.09610	3.3
163.07544	1.7
193.08627	28.7
194.08971	1.1
222.27124	0.7
355.14001	100.0
356.14133	4.2
372.38486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1666
Annotation	Nb-Demethylalstogustine N-oxide
Peak:m/z	Relative Intensity
54.45314	0.1
59.01244	0.3
64.71272	0.2
65.88523	0.2
66.46132	0.1
71.01240	0.2
72.04401	0.6
72.99190	0.2
75.00718	0.3
75.45757	0.1
81.54536	0.2
82.30730	0.1
87.29336	0.2
88.01643	1.3
88.03896	87.6
88.05825	1.0
89.04241	0.7
89.07298	0.2
98.05972	2.2
103.32262	0.2
106.03400	0.4
106.04108	8.8
106.06485	9.6
107.04409	0.2
108.02015	1.0
124.03913	1.2
130.06514	0.4
132.08066	11.3
133.08424	0.3
134.09651	0.3
136.49449	0.2
138.03056	0.2
144.04407	0.2
145.05231	0.4
151.49873	0.2
153.13182	0.2
160.07574	10.8
162.14296	0.2
172.91728	0.2
176.21245	0.2
195.13731	0.3
205.13411	5.9
212.10751	6.1
212.12799	0.3
214.19275	0.2
223.13365	1.4
238.12352	6.9
240.14047	0.2
268.13367	0.4
281.17520	0.5
283.14557	0.7
284.12802	1.0
311.17673	6.2
312.18002	0.2
349.17255	0.5
355.16650	100.0
356.16983	5.6
361.30304	0.2
361.52600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1667
Annotation	Nb-Demethylalstogustine N-oxide
Peak:m/z	Relative Intensity
52.40424	1.4
59.01245	7.2
72.04432	1.8
73.02861	1.6
77.37795	1.6
78.05289	1.5
82.02852	3.0
84.80683	1.4
101.32203	1.8
102.05474	15.1
106.04105	25.0
106.06487	39.8
108.02026	3.0
115.91183	1.5
128.03398	12.4
146.04524	2.8
146.09657	7.2
174.09178	13.3
183.01170	4.8
190.94812	2.5
192.95963	1.7
203.11848	4.1
212.10773	9.9
218.08173	2.3
225.14905	2.4
227.16493	4.7
231.11436	2.4
235.77570	1.8
251.06952	3.8
252.13933	1.9
269.06686	2.0
278.11856	6.6
278.61423	1.7
279.12421	2.2
280.13449	17.9
295.05899	4.7
309.16043	4.5
311.17621	7.3
337.15619	42.3
338.15955	2.9
354.19229	2.1
355.16574	100.0
356.16675	4.9
356.20840	11.4
359.84579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86994	7.2
57.03330	12.1
59.01243	52.1
79.95590	10.4
83.15494	8.1
89.61642	8.2
99.78471	10.0
121.67944	9.9
125.84677	10.1
127.54433	9.5
145.09790	22.6
166.28220	11.0
183.01178	42.3
185.42188	10.3
199.00696	27.8
206.89740	9.9
241.88330	10.9
251.23952	21.4
311.26010	60.3
313.58105	13.7
355.15677	18.7
355.19489	71.1
355.24982	100.0
355.29727	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
55.00791	0.3
59.01244	0.6
59.59938	0.4
59.75641	0.4
60.14999	0.7
60.15266	0.4
62.42266	0.4
65.65624	0.3
85.02793	0.6
86.29124	0.4
86.89707	0.5
107.04886	1.2
109.02796	0.5
111.00757	0.5
121.06381	0.4
122.02771	0.7
122.03602	9.8
127.07508	1.2
131.18356	0.3
135.04391	24.0
136.01488	0.5
137.09575	0.6
146.07190	0.4
147.08023	5.3
148.05179	0.5
149.05930	1.9
149.09604	8.5
151.07495	0.9
154.02592	1.2
155.10704	0.6
161.09618	12.1
163.05348	0.6
163.07576	4.4
163.11180	54.5
163.16457	0.8
164.08321	18.2
164.11417	1.8
165.09114	4.0
177.09117	78.7
178.09894	20.2
179.03787	0.7
179.10680	94.9
180.11009	3.3
183.10165	0.5
187.11206	1.9
191.10689	12.4
192.11017	0.5
193.08633	3.6
193.60739	0.4
227.18460	0.4
265.12366	1.3
279.13776	1.2
280.14597	4.1
281.15207	0.6
283.13260	0.4
289.15948	0.5
298.15750	49.7
299.16040	3.1
307.17017	2.5
309.22263	1.6
312.13654	0.9
313.21692	0.9
321.18576	1.5
322.19406	1.3
337.21750	61.8
338.22061	4.1
340.20435	100.0
341.20749	6.4
355.22821	76.6
356.19324	0.6
356.23215	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10620	0.4
50.81111	0.4
59.01248	1.3
61.98674	0.6
69.03296	0.6
71.01211	0.3
83.03951	1.8
83.04488	0.9
92.92676	0.7
183.01180	1.0
199.00642	1.8
223.20671	1.0
227.15706	0.5
263.23825	1.8
265.25375	28.5
266.25769	1.6
293.24771	2.9
311.25940	91.0
312.26309	6.4
319.22815	10.5
337.23871	4.7
355.24911	100.0
356.20920	0.5
356.25204	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	18.7
57.03587	0.9
57.37481	0.5
57.58744	0.4
59.01250	1.2
65.67543	0.5
69.03315	3.4
69.70979	0.7
73.39413	0.5
74.12934	1.0
83.03968	1.5
95.20792	0.6
133.70309	0.6
183.01143	3.5
185.00713	1.0
199.00728	1.4
201.84221	0.6
235.20566	0.8
251.23802	51.3
252.24139	2.7
252.90433	0.6
274.95093	0.6
276.94711	0.7
293.24652	0.9
311.25940	85.4
312.26251	5.1
337.24088	0.8
340.09763	0.8
355.15836	2.2
355.19730	5.2
355.24905	100.0
356.20932	0.9
356.25220	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	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13850	0.4
56.23552	0.4
59.01241	3.1
61.19870	0.4
69.03330	0.7
69.93739	0.4
83.03967	1.6
83.04488	0.8
105.03340	0.4
111.88475	0.5
114.47533	0.4
121.49104	0.4
123.62462	0.5
183.01137	1.2
196.70662	0.5
199.00697	1.8
223.20609	1.0
257.08725	0.5
263.23749	2.3
265.25385	26.0
266.25711	1.2
293.24829	4.1
309.24472	0.9
311.25940	86.0
312.26236	5.7
317.73398	0.6
337.23746	1.3
354.52206	0.5
355.19907	5.1
355.24911	100.0
356.25253	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	355.3219
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.60426	1.7
57.27024	1.9
65.93143	2.3
77.06490	2.3
81.78004	2.0
89.66207	2.2
102.81659	2.5
107.81177	2.4
109.49875	2.4
140.99329	3.5
307.30054	3.8
309.31702	49.4
310.31946	3.4
355.32181	100.0
356.32520	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	356.1141
Annotation	Penicidone C
Peak:m/z	Relative Intensity
57.75857	1.3
59.01241	4.6
61.98698	1.7
65.36861	1.5
75.00759	1.2
82.32775	1.2
84.12643	1.3
97.68526	1.4
98.22311	1.3
99.92448	2.9
107.04897	1.5
115.91910	3.7
121.02077	1.3
121.02797	7.4
128.03336	1.5
133.44284	1.6
134.04597	1.6
142.87521	2.9
142.88968	2.5
147.03175	9.4
148.03914	7.9
149.02338	1.7
160.03963	6.7
162.05377	1.8
172.11665	1.5
173.82074	1.6
174.05519	7.0
174.93333	2.1
176.03442	3.4
192.95781	4.2
194.08243	5.1
196.05222	1.7
197.06114	2.7
197.92743	1.5
199.00703	2.2
223.06325	2.1
224.04796	8.9
225.05545	23.1
226.06316	5.0
236.07169	2.9
239.05806	2.4
240.06604	5.0
241.05128	2.0
242.48506	1.7
248.07225	3.2
250.05246	2.1
252.04372	2.0
252.06671	6.9
254.08212	2.4
264.06686	2.5
265.07425	1.9
266.08151	9.8
267.08984	2.3
283.47562	1.6
294.11407	2.5
296.01529	4.1
300.00937	16.2
310.10852	8.1
312.12433	74.7
313.12790	4.1
331.97205	1.7
338.10385	5.4
355.21033	2.0
356.11414	100.0
357.11731	8.5
357.16974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1507
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
51.66887	7.7
59.01232	38.9
61.98698	10.4
66.41460	6.6
67.00588	7.1
69.14971	8.4
90.88387	7.5
105.93130	8.2
121.02807	14.6
134.04593	10.1
169.99678	8.5
192.95836	21.8
233.76712	9.2
256.09668	12.4
268.17056	10.7
279.34241	9.3
312.16089	84.8
356.15146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87804	0.9
58.02830	2.2
59.01233	3.6
61.98700	1.0
74.02321	5.3
80.46056	0.9
82.02844	4.8
84.04404	9.5
86.02328	2.2
94.01023	1.1
101.07082	1.8
109.03939	3.7
112.05307	1.1
120.40112	1.0
123.05578	1.3
127.04992	9.9
128.03403	81.2
129.03690	1.6
134.03676	1.3
134.04616	4.3
135.03978	2.5
135.05568	1.3
140.10709	7.0
151.08714	1.5
181.13400	2.6
183.14948	8.3
195.06505	2.5
203.31371	1.1
209.12927	12.4
227.13972	100.0
228.14348	2.1
253.08438	1.5
275.02966	1.2
294.18188	6.7
299.29099	1.1
320.16367	11.1
338.17233	29.2
339.17532	1.6
356.18277	25.9
360.23746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.66159	0.1
57.31511	0.1
58.99954	0.4
59.01242	20.2
59.02391	0.3
60.01578	0.2
60.03239	0.2
66.92207	0.1
71.01244	1.0
73.02808	0.3
80.91544	1.1
81.03301	0.2
83.04882	0.4
83.91957	0.2
85.02800	0.6
96.95851	0.2
101.02307	0.5
108.02035	1.9
113.02293	0.6
116.92677	0.3
119.04896	2.4
121.02802	1.7
122.03638	0.2
123.04388	2.7
124.01553	0.9
125.02292	0.4
125.05934	0.7
134.03610	0.6
135.04398	9.0
135.90919	0.2
136.05179	15.0
136.09167	0.2
137.05542	0.5
139.64424	0.3
149.05923	0.3
150.03082	0.5
151.03897	1.6
151.07536	3.7
161.04446	0.5
169.04942	0.7
177.05450	0.5
180.04184	0.5
194.98676	0.7
195.06555	100.0
195.13571	1.0
196.06912	4.2
253.08351	0.5
275.09229	0.4
357.11957	1.1
357.21344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.146
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
56.15883	0.4
58.02838	0.8
59.01241	2.7
72.06978	0.5
72.99161	1.7
75.00730	8.8
77.76534	0.5
77.97582	0.5
82.02834	2.4
83.04879	0.7
85.02833	0.6
86.99009	1.0
86.99461	0.6
93.03322	0.6
98.02322	0.5
101.02280	0.5
104.27782	0.5
106.06490	14.2
108.02017	1.5
110.02344	0.8
121.02817	11.1
122.03606	57.5
123.03931	0.8
124.01536	3.5
128.03404	0.8
136.01564	1.1
137.02325	5.3
146.05983	2.1
154.02599	6.5
166.81113	0.5
172.07605	0.6
173.10782	2.3
174.09132	3.9
192.95831	0.9
217.09793	2.9
218.51279	0.6
219.07715	1.1
226.07455	1.3
228.10262	6.3
241.09879	4.3
253.09840	1.2
254.11967	2.2
268.13528	1.8
271.10916	2.7
283.10913	1.8
286.10809	0.9
294.11368	11.4
295.11404	1.3
295.14404	4.4
296.12894	18.7
297.13287	1.9
312.12564	0.9
313.11975	5.0
313.15662	4.0
321.12360	4.8
322.11081	1.0
339.13519	39.1
340.11661	7.2
357.14636	100.0
357.19125	9.4
358.14896	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	357.1921
Annotation	Farnesyl Thiosalicylic Acid
Peak:m/z	Relative Intensity
52.50026	0.6
59.01250	4.1
69.13680	0.6
72.98783	1.3
72.99165	18.6
73.02782	1.4
75.00729	100.0
75.02397	1.5
83.04880	2.5
99.83655	0.6
128.03383	0.7
132.04424	0.7
135.90511	0.8
153.80064	0.7
154.14888	0.7
161.28531	0.7
181.12239	1.1
195.54443	0.8
198.88423	0.7
223.13391	2.0
255.56012	2.3
269.13919	3.2
321.00681	1.7
325.98419	0.9
339.18085	2.0
357.19211	96.4
358.19516	5.2
378.51382	0.9
380.61307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91444	0.5
59.01236	3.6
63.09546	0.6
72.99163	17.4
73.02785	1.4
74.98799	1.0
75.00731	93.1
75.02479	1.5
75.13727	0.6
83.04876	2.1
85.02775	0.8
95.91412	0.6
121.19270	0.7
181.12202	0.7
192.95805	1.0
195.06493	1.3
207.51910	0.7
211.13345	1.0
223.13391	1.4
250.64336	0.7
251.12730	0.8
255.12315	0.7
255.56131	2.3
269.13998	2.4
279.87234	0.7
321.17148	0.7
339.18185	2.7
357.19214	100.0
358.19595	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50026	0.6
59.01250	4.1
69.13680	0.6
72.98783	1.3
72.99165	18.6
73.02782	1.4
75.00729	100.0
75.02397	1.5
83.04880	2.5
99.83655	0.6
128.03383	0.7
132.04424	0.7
135.90511	0.8
153.80064	0.7
154.14888	0.7
161.28531	0.7
181.12239	1.1
195.54443	0.8
198.88423	0.7
223.13391	2.0
255.56012	2.3
269.13919	3.2
321.00681	1.7
325.98419	0.9
339.18085	2.0
357.19211	96.4
358.19516	5.2
378.51382	0.9
380.61307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89330	0.7
59.01240	25.7
65.41795	0.9
70.40331	1.0
71.65486	0.7
89.42898	0.8
121.02843	1.2
148.01518	1.0
169.52034	1.0
177.16319	1.1
193.46884	1.0
193.75221	0.9
204.69368	1.0
215.25374	1.1
231.21172	6.1
232.38983	1.0
275.20184	100.0
276.20551	5.3
299.24313	1.0
321.68677	1.1
357.20535	14.8
358.20813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2648
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
55.26863	0.9
56.12063	1.1
58.70073	1.1
59.00974	1.8
59.01244	29.6
60.69547	1.2
69.23097	1.1
74.35755	1.0
81.29536	1.3
82.14076	1.2
91.73368	1.3
94.89944	1.2
109.27643	1.1
121.02843	2.7
128.74022	1.3
134.96564	1.2
192.95769	11.2
208.72348	1.3
278.54468	1.4
295.26395	21.2
297.24344	100.0
298.24701	7.0
339.25061	1.9
357.26480	98.1
358.26874	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	358.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39615	0.5
56.48483	0.3
58.58836	0.2
59.01242	0.8
61.98685	1.4
74.29140	0.3
77.36928	0.5
77.37315	0.4
93.03324	2.7
102.05434	0.5
104.07580	0.3
106.01366	0.4
106.04107	28.6
106.06458	0.9
107.04253	0.5
107.04904	9.8
108.02032	5.2
108.05212	0.5
109.02805	0.5
117.97180	0.3
118.06462	0.8
118.69231	0.3
119.04908	1.9
120.08057	19.8
121.02824	4.3
121.08418	0.6
122.03612	9.6
122.04514	0.5
128.03410	0.4
132.04407	0.6
132.08069	0.9
132.99580	0.3
137.02316	0.7
138.03110	2.0
139.23741	0.3
146.06001	63.9
146.09651	2.2
147.06374	0.7
148.07590	0.3
149.64195	0.3
151.03885	0.5
154.02618	0.4
158.06000	0.6
159.07779	0.3
162.09047	0.4
163.06416	0.3
172.07576	11.2
188.43938	0.3
210.09206	0.4
212.10760	1.4
217.00272	0.9
224.07483	0.4
224.10738	2.1
226.12337	21.4
227.12727	0.7
228.06682	0.6
228.16743	0.4
229.08679	8.5
250.08609	0.4
250.12482	0.4
251.06892	3.3
252.07562	0.7
252.10313	15.3
252.13966	5.3
253.10538	0.5
256.09814	3.5
268.13489	0.7
270.00366	1.0
270.11377	100.0
271.11703	3.4
273.07700	24.8
274.08002	1.3
278.11832	4.7
295.05887	6.9
296.06244	0.5
296.09335	1.6
296.12930	2.8
314.10428	36.7
314.13992	6.3
315.10709	1.4
315.14368	0.4
357.17297	0.6
358.12985	96.0
359.13245	4.2
363.16483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	10.4
60.66546	1.8
60.99165	2.5
75.00733	3.0
78.83985	1.9
80.88025	1.9
82.47826	2.4
85.83899	1.9
94.29485	2.3
106.04118	15.7
116.04924	3.9
120.08071	8.6
122.03619	2.9
132.08084	6.4
133.38112	2.1
146.06004	13.6
197.09671	5.2
217.00270	4.4
222.09245	6.0
224.10785	4.8
226.12407	10.0
234.08894	5.3
237.08960	13.3
238.12442	8.3
260.10730	5.7
264.10135	5.0
267.36292	3.0
270.11374	77.9
274.08536	39.9
281.08011	3.3
292.09564	24.7
298.05103	3.0
300.06750	4.6
300.12424	62.2
300.15710	4.8
301.12894	3.3
310.04776	4.9
316.08246	2.6
318.07330	3.3
322.10617	100.0
323.11182	5.5
328.05853	6.4
357.17044	2.4
357.22922	2.8
358.08130	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	358.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02079	1.4
59.01237	5.6
59.14616	1.3
60.45036	1.4
61.98687	2.7
65.20196	1.4
68.39397	1.6
71.55243	1.7
106.04105	27.2
108.02042	5.0
120.08041	20.0
122.03667	1.9
138.03123	2.6
146.06001	59.1
146.09671	1.9
165.31113	2.1
172.07578	6.9
189.84798	1.7
217.00302	4.0
221.55092	1.9
224.10638	2.9
226.12337	17.2
227.12497	2.1
252.10277	13.4
252.14000	4.7
256.09799	3.9
270.11377	100.0
271.11743	4.5
273.07758	4.6
276.93127	2.2
278.11951	2.3
296.12970	4.4
314.10370	36.1
314.14020	8.1
349.00690	1.9
358.13013	97.5
358.17386	4.0
359.13263	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	358.13
Annotation	Lutessine
Peak:m/z	Relative Intensity
59.01247	4.0
75.00733	1.9
75.78757	0.7
80.07127	0.7
80.58330	0.6
89.55482	0.7
93.03297	1.0
102.05463	2.4
106.04103	1.3
107.02154	0.7
107.04887	35.7
116.75319	0.7
119.04912	1.6
121.02826	6.9
124.03883	1.1
128.03406	2.2
128.31418	0.7
135.04428	3.2
136.03902	5.7
137.02332	3.4
138.03105	2.9
139.41519	0.7
147.03128	3.1
147.04384	1.4
148.03912	7.8
149.04675	1.1
150.03134	2.3
150.05481	1.6
151.03906	4.3
160.03944	3.8
161.04701	5.6
162.04234	1.5
162.05504	22.9
163.03845	1.4
163.05983	0.9
176.07050	4.1
177.07849	1.7
182.02162	0.9
194.08154	6.1
206.08157	3.3
207.08963	1.5
217.00314	0.9
225.05527	1.4
226.06483	4.0
227.06996	3.5
228.07886	4.3
229.14369	1.7
239.08081	1.3
252.10213	1.0
253.04955	1.2
254.08153	1.5
268.09778	0.9
269.10507	0.9
271.06219	2.0
284.12823	1.1
296.13004	1.0
314.14005	19.2
358.12985	100.0
359.13269	6.5
359.20734	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	358.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40467	0.4
59.01242	3.0
59.54849	0.4
73.63147	0.5
75.00749	0.6
79.24452	0.4
81.22929	0.9
87.23607	0.9
87.24099	0.5
93.03311	0.7
101.02303	1.7
102.05479	0.7
108.02029	2.0
109.02814	0.7
118.39356	0.5
121.02821	13.3
122.03605	90.5
122.07180	1.1
122.33251	0.4
123.03949	1.5
124.01537	3.5
127.11379	0.4
128.03433	0.6
129.01826	3.9
136.01543	1.3
137.02325	8.9
146.05928	2.2
146.09683	0.8
146.90184	0.4
148.11192	1.5
151.07153	0.5
153.01791	0.8
154.02588	7.6
174.09152	10.7
179.43108	0.7
217.00269	0.5
218.08168	0.6
228.10289	5.0
233.40242	0.6
239.21176	0.4
254.11818	0.6
268.10400	0.6
268.13403	4.0
270.15054	5.6
286.11145	0.6
289.14642	0.5
296.12924	57.3
297.13217	3.0
314.13995	10.8
315.14368	0.6
328.13675	0.8
340.11917	91.5
341.12253	6.4
358.12991	100.0
359.13330	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42959	0.3
50.51969	0.3
52.51831	0.3
53.16843	0.3
59.01239	2.6
68.99673	24.2
69.01212	0.4
75.52654	0.3
80.04910	32.3
80.06845	0.5
81.05256	0.4
84.82235	0.3
89.02293	0.3
95.01276	0.4
101.02316	0.5
104.04923	5.8
106.06493	2.2
108.04407	1.7
116.04910	1.0
122.05985	5.2
123.04413	0.6
124.07488	0.4
127.47724	0.3
128.03381	0.4
132.04425	100.0
132.08655	1.2
133.04736	2.6
134.05989	15.9
135.06306	0.5
144.04465	1.3
145.07635	0.4
150.05492	34.5
151.05826	0.9
152.07057	52.5
153.07355	1.3
162.05501	1.3
166.08728	0.3
185.07114	0.7
217.00439	0.4
269.12909	1.7
273.12558	0.6
279.11618	0.4
297.12448	52.3
298.12799	2.8
301.25644	0.3
312.91623	0.4
315.13528	35.9
316.13837	1.8
359.12836	1.7
360.20557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	16.1
64.69582	1.8
69.76972	1.5
74.12326	1.7
75.00728	4.1
90.45334	2.1
120.40517	2.2
120.72754	1.7
126.46089	1.9
154.54404	2.1
159.50986	2.3
195.50493	2.3
220.08171	2.0
257.22720	9.7
301.21756	28.1
302.22076	3.4
359.17615	100.0
360.18011	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	359.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29389	10.2
52.67573	9.3
56.06829	9.4
59.01248	100.0
61.98693	13.4
64.35926	10.6
71.01245	36.2
73.21648	11.0
83.95924	11.4
96.47611	11.1
103.31589	12.5
141.71193	11.8
174.99112	18.3
193.72954	12.2
194.92810	16.5
194.95470	36.2
201.02505	23.0
217.00244	96.2
242.44101	13.2
276.93176	20.4
316.61774	15.5
334.99261	15.2
337.20618	15.7
355.52277	15.8
365.11688	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	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	22.4
71.01240	0.5
84.37208	0.4
88.81774	0.4
89.44908	0.4
91.73329	0.5
118.77457	0.5
203.41206	0.7
233.22653	0.7
259.20697	1.0
275.20062	0.6
277.21735	100.0
278.22025	5.0
359.22052	14.6
360.22372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55467	0.8
53.67978	0.8
59.01241	15.1
59.21186	0.9
63.27199	1.1
72.99165	25.1
75.00730	49.6
91.73318	1.8
105.84768	1.1
152.91614	1.5
154.59489	1.1
174.99139	2.2
194.92691	3.0
194.95493	3.1
201.02451	2.0
217.00269	7.9
311.64371	1.2
359.28070	100.0
360.28177	6.0
374.57321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1091
Annotation	Cyclomegistine
Peak:m/z	Relative Intensity
50.75660	1.2
53.45234	1.2
55.38108	1.1
57.49124	1.3
59.01239	6.7
61.15829	1.3
61.98684	1.3
62.94664	1.1
75.00726	1.8
99.53148	1.4
108.02042	1.8
120.08070	1.9
121.02835	9.7
121.08318	1.4
122.03605	62.2
122.62003	1.5
124.01507	3.0
128.03436	1.9
137.02275	8.1
146.05998	43.9
148.07535	1.6
154.02588	8.8
158.06058	8.8
163.03766	1.7
217.00230	2.5
228.10294	3.3
238.74597	1.5
240.10242	11.4
242.11867	9.6
249.28632	1.8
254.11845	30.3
259.53925	1.6
268.09818	20.0
272.09363	3.7
272.12961	2.9
286.10840	38.8
286.68005	2.1
298.10913	11.3
316.12054	10.2
330.09991	5.7
344.22363	4.1
360.10913	100.0
361.11322	8.0
361.25372	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	360.1606
Annotation	Buxifoliadine-D
Peak:m/z	Relative Intensity
55.46275	2.7
58.31590	2.6
59.01247	15.4
61.37875	3.0
61.98683	5.6
70.65407	2.8
72.69188	2.9
83.55722	3.0
91.05350	3.9
106.04108	9.2
124.27879	3.3
137.45024	3.4
147.04390	15.1
212.10750	13.3
217.00304	4.8
224.10803	11.8
258.84320	3.1
271.37354	3.8
360.16043	100.0
361.16306	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	360.1608
Annotation	Buxifoliadine-D
Peak:m/z	Relative Intensity
54.83950	1.1
59.01244	6.7
60.66008	1.0
61.38148	1.0
61.55627	1.1
61.98673	1.9
66.12843	1.0
70.43984	1.0
71.42927	1.0
97.05832	1.1
99.92568	1.3
102.75824	1.0
107.04860	1.4
119.16631	1.1
121.08061	1.2
128.26303	1.3
135.04395	100.0
136.04739	1.8
136.59238	1.4
201.75615	1.2
217.00255	3.8
253.05788	1.4
290.19333	1.3
360.16064	45.5
361.16446	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	360.1604
Annotation	Buxifoliadine-D
Peak:m/z	Relative Intensity
59.01232	7.9
61.98688	4.4
67.90379	1.8
77.65754	1.8
80.74257	1.8
107.04875	17.3
126.63538	2.5
131.66801	2.0
135.04399	60.4
148.05208	5.0
217.00290	3.7
254.12128	2.4
285.10388	2.5
308.10556	2.2
360.16101	100.0
361.16449	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	361.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25951	0.4
51.47981	0.6
55.48748	0.3
55.84203	0.8
55.84459	0.6
59.01232	0.6
60.78488	0.4
61.98668	0.3
62.41062	0.5
70.21187	0.5
77.23412	0.4
80.04903	0.7
96.04403	1.5
96.93424	0.3
100.36452	0.3
104.04896	1.1
106.06451	0.6
121.02782	0.3
122.05974	0.9
124.03896	0.7
132.04428	4.6
133.05203	3.2
134.05949	0.8
141.11852	0.3
143.07269	1.2
144.08058	1.1
145.05186	1.9
157.05157	0.4
158.09622	0.4
159.05580	0.7
159.08177	0.4
160.07567	0.5
160.79549	0.4
165.04202	1.3
170.05995	1.2
170.09695	0.4
171.06796	8.2
173.07115	1.6
182.06027	1.2
183.06760	0.4
184.07535	0.5
186.02545	1.1
186.09164	100.0
187.05064	3.9
187.06662	0.4
187.06955	0.6
187.08499	6.3
196.07632	0.5
199.05017	1.6
201.10240	2.4
202.08664	1.4
210.09122	0.6
211.08755	1.0
212.10748	10.0
213.06706	2.7
213.10330	1.4
214.07396	1.6
225.06665	0.7
225.98264	0.3
226.07394	0.4
228.10249	0.9
229.00774	0.9
229.09789	82.7
230.10158	2.8
236.80792	0.5
239.08218	0.8
240.09053	1.1
255.11397	12.0
257.09296	1.0
272.96960	0.9
273.08826	93.4
274.09131	4.3
299.10370	25.3
300.10703	1.4
301.08273	12.5
302.08453	0.5
317.11478	0.6
325.08264	0.4
343.09296	1.1
361.10443	27.1
362.10675	1.1
382.06827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39936	0.2
52.76185	0.2
55.81676	0.2
55.84206	0.7
55.84450	0.3
59.01242	0.2
60.78496	0.5
62.16520	0.2
62.41057	0.6
62.41329	0.2
65.22820	0.3
66.03355	0.6
77.23402	0.4
80.04905	0.7
81.57271	0.2
96.04403	3.8
104.04927	1.0
106.06470	0.7
108.04404	0.3
110.05975	0.4
120.04394	0.4
122.05986	1.6
124.03917	0.7
132.04422	7.7
133.05220	5.9
134.05989	0.7
143.07256	0.9
144.04402	0.8
144.08038	0.6
144.56102	0.3
145.05180	1.4
148.03926	0.5
156.08020	0.3
157.05209	0.3
158.09633	0.6
159.05573	0.7
160.07544	0.4
165.04199	2.7
170.06024	1.0
171.05334	0.4
171.06799	6.6
172.06306	0.3
173.07104	1.2
176.03514	0.3
177.04205	0.4
182.05992	1.1
183.06772	0.4
184.07658	0.5
185.03534	0.6
185.08348	0.3
185.10847	0.4
186.02371	0.8
186.09163	68.3
186.22406	0.3
187.05038	5.4
187.08617	19.4
188.09105	0.4
199.05049	1.7
200.05817	0.4
201.10278	1.9
202.08650	2.9
202.10356	0.4
210.09132	0.3
211.08684	0.9
212.10759	7.1
213.06621	3.3
213.10143	1.8
214.07401	3.2
225.06648	0.6
226.07335	0.4
227.08173	0.4
228.10199	0.7
229.00569	0.6
229.09785	65.6
230.10138	2.2
239.08299	0.4
240.09038	1.0
255.11380	8.3
256.11713	0.4
272.96707	0.9
273.08826	100.0
274.09180	4.0
299.10367	18.9
300.10693	1.1
301.08322	3.0
335.29013	0.3
343.09323	0.3
359.13693	0.3
361.06281	0.5
361.10419	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	361.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
56.50416	1.2
59.01234	5.9
60.16557	1.2
61.98693	1.9
62.94397	1.3
64.03965	1.1
80.04922	4.8
103.04122	1.8
104.04933	17.7
106.06445	2.1
111.04367	1.9
111.70710	1.3
119.04890	1.5
119.65509	1.3
121.05223	3.2
122.05979	10.6
123.00742	2.6
124.03939	2.0
124.07565	7.3
128.92307	1.3
132.04439	5.2
138.03166	2.3
148.03928	81.1
149.04274	2.5
150.05458	3.8
155.10638	4.9
161.04759	1.5
163.03893	2.6
168.06528	3.0
170.09764	1.4
174.01848	1.5
178.14005	1.5
182.05977	7.9
183.06847	1.8
192.02959	62.0
193.03386	1.8
195.61316	1.3
196.07675	2.1
197.06976	1.7
199.09781	3.2
210.09177	4.5
211.54378	1.5
212.10779	50.9
213.10255	8.3
225.06563	9.3
226.07436	12.4
227.08231	2.4
228.10219	1.9
231.11314	3.7
239.08228	7.6
240.09003	10.5
255.11385	100.0
256.11798	4.5
273.12512	5.9
299.10364	20.3
300.10754	2.3
343.09384	76.4
344.09686	5.6
361.10385	23.1
361.22205	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	361.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92531	1.2
54.33947	0.7
54.79887	1.0
55.05523	0.8
57.03311	0.8
58.03288	0.9
59.01235	3.8
61.98691	1.2
62.18561	0.8
71.01248	0.9
73.02801	1.2
80.04907	4.7
91.73330	1.0
93.19035	0.8
95.03622	1.9
96.91626	0.9
104.04913	16.5
106.06488	1.7
111.04378	1.3
116.83446	1.0
119.04942	1.0
121.05204	4.4
122.05994	10.7
124.03915	1.6
124.07558	5.3
132.04456	3.4
134.05956	2.7
138.03091	1.4
138.05476	1.7
146.05962	1.4
147.99161	1.4
148.03926	81.9
149.04289	1.2
150.05507	4.0
153.04231	1.9
155.10690	4.2
161.04649	1.0
168.06578	2.2
170.09642	1.9
174.01913	2.7
178.04987	1.3
182.06015	6.6
183.06813	3.2
191.89920	0.9
192.02950	53.4
193.03282	1.4
196.07538	1.0
197.06987	1.6
197.08600	1.5
198.07724	1.3
199.08636	1.9
210.09264	2.8
211.05022	1.5
211.08812	1.3
212.10776	48.5
213.10164	9.1
225.06686	7.7
226.07436	12.3
227.08110	2.3
227.11861	1.3
230.11931	1.3
231.11359	4.6
239.08234	5.0
240.08983	8.9
245.89290	1.0
253.09840	1.3
255.11391	100.0
256.11771	3.3
273.12543	7.6
281.09296	1.8
299.10367	17.4
317.11499	2.0
343.09384	79.6
344.09677	4.7
361.10361	19.8
361.14380	1.5
361.22305	2.2
362.10770	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14075	0.5
59.01242	33.2
59.53289	0.6
61.98403	1.0
61.98695	12.7
69.87180	0.6
71.01242	9.7
73.01032	1.5
73.02795	3.8
75.00736	1.0
78.95759	1.5
83.01230	1.2
83.04884	0.8
85.02806	4.1
89.02304	1.3
93.03315	1.3
95.01223	4.5
96.95879	7.0
96.96806	3.6
97.02784	1.1
98.02349	1.2
99.00744	2.3
101.02316	7.2
103.02104	2.2
105.03427	0.6
107.01933	0.7
108.04397	0.9
109.02822	1.5
113.02310	6.9
121.02800	3.2
122.03624	0.8
123.00748	100.0
123.04289	1.9
124.01573	11.3
124.03922	1.0
125.02332	0.9
127.00340	0.7
128.03401	0.9
128.39609	0.7
133.01355	0.8
135.04340	0.7
136.01549	1.1
137.02315	4.8
138.03108	79.2
139.03905	25.1
140.04179	0.7
149.02333	2.6
150.03108	1.0
151.03893	2.7
154.99857	1.0
159.02928	2.5
161.03163	1.4
161.04454	21.2
163.03842	1.7
166.02632	2.5
168.02881	1.3
170.04414	1.1
178.02649	2.4
181.05005	7.7
182.02692	2.0
183.03439	0.9
184.04317	6.7
193.04974	4.0
196.02400	4.6
248.05463	0.8
264.00128	6.6
264.62552	0.8
301.09320	39.3
302.09787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1654
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
53.56385	0.3
54.12013	0.3
56.41638	0.3
57.03311	0.5
59.01245	1.5
71.01215	1.2
75.00719	0.8
77.07663	0.3
78.14512	0.4
79.05377	1.2
80.02536	1.7
83.04887	0.4
84.52380	0.5
85.02798	0.7
87.56092	0.3
91.05383	0.7
93.03314	2.9
95.04869	1.3
96.95849	0.4
101.02258	1.0
106.04115	0.4
107.04910	2.2
108.02003	0.5
109.06453	6.6
109.07170	0.2
109.45534	0.3
110.13787	0.3
113.02261	0.4
119.04900	2.4
120.05672	0.4
121.02777	0.5
121.06454	0.9
123.00715	0.6
125.09634	0.3
131.04910	0.5
133.06467	4.1
135.04372	1.4
135.08029	10.1
136.08340	0.3
137.02295	1.0
137.05981	0.4
137.09618	1.0
141.19804	0.3
143.04900	0.4
144.05650	0.4
145.02835	1.7
145.06470	1.1
147.04364	0.3
149.05811	0.3
151.07498	0.5
151.11224	0.3
155.18556	0.3
160.05350	0.3
161.04529	0.3
161.05959	0.8
161.09589	0.4
163.03903	2.5
163.07533	1.2
163.11139	0.9
181.10013	0.4
181.12227	0.4
185.79640	0.3
194.58162	0.4
195.08112	0.9
207.10181	1.3
213.12781	0.3
215.14287	0.7
217.15820	0.4
229.06137	0.3
229.15982	0.4
231.17453	0.8
240.14996	0.5
243.17563	1.5
245.18922	0.8
253.15973	3.7
255.13815	0.7
255.17563	7.1
256.17853	0.4
257.15503	0.8
258.16171	0.7
271.17114	2.6
273.18613	12.6
274.08365	0.3
274.18954	0.5
279.01682	0.3
289.18103	0.9
299.16586	0.7
301.07135	1.2
315.15997	1.0
317.17581	25.4
318.17932	1.3
343.15442	1.2
360.21069	0.8
361.16565	100.0
362.16898	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	361.2387
Annotation	Methyl ent-16-methoxy-6-oxo-7,13E-labdadien-15-oate
Peak:m/z	Relative Intensity
51.34564	0.3
52.47694	0.3
57.03300	0.4
59.01248	2.3
59.01496	0.5
63.55633	0.2
66.60143	0.3
67.01741	0.4
71.39097	0.2
74.01940	0.3
81.03303	0.3
83.04874	0.5
86.16516	0.7
86.59820	0.3
91.72653	0.2
94.75943	0.4
95.04890	0.4
97.06421	1.1
101.02295	4.8
109.99943	0.7
111.00728	0.3
111.07979	0.6
123.00746	14.9
124.01537	12.3
137.02324	18.4
139.03809	0.4
151.03893	1.1
156.00516	1.0
165.05475	0.8
169.04930	0.6
179.07068	1.6
189.16341	0.4
193.08669	0.6
221.11790	1.5
233.11766	0.4
241.19154	0.3
259.20673	3.6
260.14160	0.5
273.14978	1.4
317.24609	0.6
329.21231	44.1
330.21603	2.5
361.23880	100.0
362.24197	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	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24074	0.3
53.77356	0.3
58.99929	0.8
59.01241	100.0
59.02417	2.0
60.01579	0.7
60.58848	0.3
63.58826	0.7
67.37920	0.4
68.66167	0.4
73.91791	0.3
91.72763	0.7
101.50990	0.5
116.85244	0.4
137.13309	0.4
139.03940	0.4
182.28401	0.4
301.16879	0.7
317.24857	0.8
348.14972	0.4
361.23868	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	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13168	1.3
59.01240	100.0
59.02448	1.3
87.00579	1.2
126.23357	1.4
130.28050	1.4
133.65523	1.5
224.88760	1.4
265.25439	2.2
325.27545	6.5
361.23972	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	363.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88352	0.6
59.01247	4.1
61.98689	1.8
68.99670	2.3
71.01226	1.7
73.02793	1.9
80.04907	1.2
81.03326	0.9
85.02814	1.0
94.06493	2.6
97.01550	1.7
101.02321	1.0
108.04417	3.3
111.75742	0.7
113.02324	1.0
116.04935	10.4
118.06502	7.4
120.04414	1.3
122.02297	0.9
123.03157	6.9
124.03899	3.2
125.01057	1.4
126.05480	7.9
128.03429	1.2
131.03610	1.0
132.04431	2.8
134.05980	2.1
136.03925	1.3
136.07573	1.5
138.05489	100.0
139.05849	3.3
144.04431	16.8
144.23329	0.8
146.06001	7.1
154.04991	24.7
155.05818	3.7
156.06348	0.8
162.05499	58.1
163.05899	1.7
164.07019	3.8
178.04991	1.8
185.07080	8.5
187.04744	0.9
188.03453	4.5
190.05142	0.9
221.39095	0.8
253.09911	3.7
254.10321	1.0
257.12939	1.0
265.09793	5.8
271.10876	12.6
283.10873	10.1
289.11920	3.9
301.11942	8.7
305.65784	0.8
319.09573	1.5
319.12952	7.4
345.10663	0.9
363.11896	3.8
363.16635	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	363.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34854	0.8
57.69949	0.8
59.01238	6.9
63.78919	0.8
65.49317	0.8
71.01247	2.2
73.02811	1.3
85.02793	1.0
85.48782	1.0
87.88916	0.8
88.39522	0.8
89.02297	1.7
95.04897	1.5
100.14490	0.9
101.02320	1.6
108.04418	4.6
119.04849	1.1
119.98003	1.0
121.05196	2.1
123.03125	10.2
136.07564	17.4
138.04413	2.5
138.05482	42.3
139.03893	2.7
182.04462	1.5
200.05916	1.7
212.05862	4.5
214.12289	3.3
227.08224	16.5
228.08466	1.7
242.10591	18.2
245.40358	1.1
257.12952	100.0
257.24237	1.3
258.13333	6.1
301.11761	1.2
335.35538	1.2
345.10916	12.7
363.11630	2.9
363.16602	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	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44418	0.9
59.01245	7.1
64.11328	1.0
65.99708	1.8
70.87159	1.0
71.01239	3.5
72.99145	1.1
74.63439	0.9
76.14001	1.2
82.02840	31.6
83.01238	5.1
85.02821	2.0
89.02308	1.7
94.02845	3.5
96.95868	1.3
101.02304	2.3
110.02361	1.8
120.04439	2.2
122.02376	2.6
122.05991	6.1
135.03198	1.4
136.03922	29.1
138.05482	3.8
139.03899	2.8
139.86909	1.3
151.73979	1.3
152.03491	1.3
154.05006	2.1
160.07602	1.6
164.03433	42.3
174.29138	1.1
178.05055	2.0
182.04544	3.3
183.10220	2.9
194.04518	25.2
195.05298	6.4
196.06097	24.3
202.08725	2.5
203.08253	1.4
204.06660	2.4
217.06303	1.2
229.06248	1.4
231.07611	2.0
241.97690	1.5
242.07872	1.2
244.09872	6.1
245.09358	4.8
250.73914	1.5
251.78531	1.3
258.06406	2.9
259.07324	2.2
259.10876	1.9
265.07278	1.6
269.09299	2.5
270.07733	5.8
271.07318	2.5
272.07950	2.3
275.10422	3.7
287.10376	100.0
288.10684	4.1
291.09970	1.9
313.08334	2.4
319.13104	3.7
331.09384	44.6
331.13376	2.1
332.09753	1.9
363.11957	7.0
363.16660	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	363.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64633	1.5
57.03309	2.8
59.01245	12.6
69.03313	5.5
71.04886	2.4
84.21586	1.8
85.02816	6.1
91.73129	4.4
97.02808	3.1
97.06463	3.9
107.04855	1.7
114.07905	2.1
121.06443	2.3
127.86945	4.1
135.11658	2.9
167.76341	2.2
177.12798	5.4
205.12315	3.0
207.10036	4.6
222.15761	5.6
223.13379	6.8
226.43326	2.4
227.10573	4.1
245.11581	100.0
246.11835	3.1
251.09174	3.0
263.11453	6.4
263.16687	2.7
265.14459	3.2
281.17563	11.8
305.12671	2.6
363.00464	4.0
363.17487	9.1
363.21820	10.4
376.84528	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	363.1815
Annotation	DODECAHYDRO-8''-HYDROXY-1'',2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE
Peak:m/z	Relative Intensity
50.04147	0.2
50.72937	0.2
53.56506	0.2
54.61507	0.2
56.08578	0.2
59.01237	0.4
60.99150	0.4
70.32814	0.2
79.05380	1.4
83.04871	0.5
85.02920	0.3
93.03259	0.3
97.16735	0.5
107.04893	0.7
109.06454	3.6
118.97961	0.3
124.96900	0.2
135.08014	1.3
137.05962	0.2
137.09615	1.4
151.07523	0.3
163.11198	1.3
165.12801	1.2
166.02051	0.6
175.19566	0.2
179.06975	0.3
198.01123	0.3
203.98607	0.2
209.11693	1.8
219.96356	0.2
227.17953	0.4
231.17488	0.4
237.11378	0.4
238.00604	0.8
239.14413	0.4
255.17569	2.0
257.15472	1.2
257.19058	4.4
269.99518	0.3
271.17026	0.5
273.18564	2.8
275.16574	0.7
275.19858	0.4
285.15051	0.4
291.19635	0.4
301.18109	0.9
317.17557	0.7
319.19147	27.3
320.19473	1.7
325.09000	0.3
345.05551	0.5
345.16983	1.0
363.18158	100.0
364.18472	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	363.1816
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
57.03321	0.7
59.01236	0.2
61.98674	0.1
65.25191	0.1
69.03314	0.1
72.96908	0.1
78.16519	0.2
80.15001	0.1
80.77747	0.1
83.04879	0.4
86.67078	0.2
95.04884	0.4
109.06437	0.3
116.97104	0.1
118.94479	0.1
133.06462	0.3
173.89948	0.1
187.11218	0.4
201.12776	2.0
203.14323	0.3
213.12798	0.4
217.15918	1.3
229.15959	0.2
243.17534	3.9
244.17868	0.2
245.19102	0.4
253.15945	0.3
255.13858	0.6
255.17542	5.9
256.14706	1.1
257.15436	0.4
269.15500	0.3
271.17053	6.9
272.17398	0.5
273.18607	16.9
274.18954	1.1
275.20129	0.7
291.19550	0.6
301.18076	1.8
303.18512	0.2
317.17609	5.9
318.17889	0.3
319.19153	100.0
320.19501	6.2
363.18097	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	363.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13663	0.3
54.92197	0.4
56.32660	0.3
58.99960	1.5
59.01243	100.0
59.02366	1.6
60.01582	0.4
62.32269	0.3
63.57868	0.4
68.99454	0.4
84.84887	0.3
91.72707	0.5
91.73199	0.7
112.98457	1.1
116.97164	0.4
119.99369	0.4
122.03632	0.6
124.20173	0.4
159.82538	0.4
182.98920	0.4
241.19685	0.4
285.18686	3.2
355.63248	0.3
363.25247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83095	0.8
57.03293	0.7
59.01248	1.7
68.99424	0.9
71.01241	1.0
72.02013	1.6
78.53829	0.9
79.95609	1.8
87.04369	2.9
95.01904	0.9
95.04906	1.0
96.95880	1.2
112.98435	2.8
123.08031	0.9
124.85008	0.7
126.70851	0.8
137.09573	1.1
148.08842	1.7
149.09624	1.9
151.11156	1.8
163.11150	2.2
165.12744	100.0
166.13083	3.0
177.12793	1.0
179.14378	1.5
179.44614	0.8
182.98772	1.7
191.14417	0.9
207.13956	1.0
226.76715	0.9
247.20638	12.2
257.19138	2.4
275.20209	16.0
276.20517	1.1
283.20724	1.1
286.19244	1.5
288.79608	0.9
289.21768	2.2
291.19836	2.7
291.23346	1.3
298.32101	1.0
301.21735	5.1
319.22787	39.7
320.23026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.218
Annotation	Cespihypotin O
Peak:m/z	Relative Intensity
53.46830	1.6
58.47434	1.8
59.01236	4.2
60.45759	1.5
67.79509	1.5
71.01236	24.5
80.42432	1.8
93.69842	1.7
95.04884	5.5
96.95871	6.7
101.16869	1.9
116.97128	3.3
122.03591	3.8
124.34084	1.8
155.84949	2.3
187.71040	2.1
264.25000	2.3
265.14859	6.3
287.20197	6.6
291.19586	9.7
301.21741	15.5
327.19815	2.8
331.19168	3.6
345.20709	100.0
346.21027	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	364.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83135	0.6
59.01229	1.1
78.58521	0.8
85.02821	0.8
101.02331	1.2
106.04105	10.1
106.06475	0.9
108.01985	1.0
116.04941	1.3
129.01822	2.3
132.08104	1.0
132.67531	0.6
138.03207	0.7
142.06519	1.3
144.08075	1.1
146.09657	2.0
149.36748	0.7
156.08113	0.9
174.09033	0.7
174.79231	0.7
179.30255	0.6
188.07158	0.6
191.09470	1.6
196.08923	1.7
197.09677	3.2
212.10745	14.3
212.12772	0.9
217.07346	1.6
222.09158	1.7
223.11375	0.7
224.10867	2.9
232.09575	1.8
234.09087	2.3
236.15091	0.7
237.08917	6.5
248.11044	0.7
250.12361	8.5
252.13989	2.9
258.07379	1.3
260.10522	3.5
262.12381	2.2
272.10501	4.7
274.12152	53.1
275.12494	3.0
276.08661	1.1
281.07971	2.4
288.72806	0.7
292.09262	0.7
296.11456	1.0
300.10043	3.3
302.06400	1.0
302.11703	3.9
310.09335	1.0
318.10400	2.4
320.12766	5.6
346.10611	27.1
347.11002	1.8
364.11676	100.0
365.11856	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	364.1552
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
54.75494	1.2
58.02833	2.4
59.01242	2.4
61.97224	0.8
61.98694	36.6
68.99660	0.8
70.02838	11.1
71.01243	1.2
71.04877	15.8
75.00706	2.1
78.95760	17.5
79.95572	0.7
85.02795	0.8
86.02335	7.5
87.05481	6.3
90.79617	0.8
96.95866	26.8
96.96821	38.4
97.03960	0.8
98.02343	1.6
98.95468	1.2
99.00752	0.9
99.04398	6.2
101.02325	2.5
108.02001	1.6
109.02792	1.5
115.04982	1.7
116.07019	3.3
122.03625	1.2
123.04385	2.1
124.03895	0.8
127.00233	2.0
128.03395	1.1
129.05420	1.7
130.03194	12.1
146.08113	100.0
147.05830	5.0
147.08478	1.2
152.01031	1.9
159.03035	0.9
167.03394	6.4
171.02893	2.3
176.03438	1.0
179.88136	1.6
184.04250	2.8
192.02983	0.8
196.02475	3.6
217.11887	19.9
217.13805	1.4
236.05637	1.2
264.00140	2.8
265.99850	1.4
266.06851	1.0
277.12277	50.3
278.12531	3.1
329.08911	1.0
364.15521	77.6
365.15518	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	364.1557
Annotation	Ochotensimine
Peak:m/z	Relative Intensity
51.56025	0.5
59.01243	10.9
59.01516	0.8
83.14354	0.6
88.74348	1.5
90.40788	0.7
93.03337	1.1
95.04861	1.0
106.04096	6.0
106.06459	3.4
107.04915	1.4
108.02032	16.3
109.02858	4.4
121.02810	4.0
122.03603	16.1
123.04399	22.9
123.05267	1.4
131.03592	3.4
132.08096	1.9
133.02844	3.1
134.03610	29.7
135.04398	10.8
137.02385	1.5
138.03163	0.9
148.04004	0.8
149.04716	1.1
154.02588	1.3
170.09717	0.7
189.40495	0.6
212.10776	2.9
221.08472	1.1
222.09338	1.5
228.10269	12.7
229.10664	0.7
238.08810	1.4
238.09828	0.7
238.12372	12.5
239.09517	6.7
239.11864	0.8
239.12643	0.7
240.10291	9.1
241.10794	1.0
328.13440	1.0
346.14502	100.0
347.14835	7.5
364.15570	58.7
364.20352	1.2
365.15955	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	364.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	6.2
59.01242	16.6
74.02329	1.9
78.14089	0.8
84.04411	7.4
100.07531	10.4
102.02754	1.2
102.05467	69.3
104.32378	0.8
126.05489	1.2
128.03407	100.0
129.03755	1.5
131.49721	0.8
140.77246	0.8
144.06575	1.2
146.04482	22.2
156.06566	2.3
163.11179	14.2
163.12500	1.3
171.52612	0.8
177.38779	0.9
191.14336	4.0
201.02515	1.1
217.12309	2.2
235.13368	32.9
236.13739	1.5
320.18698	9.9
346.16611	16.1
347.17239	1.3
364.17700	47.7
365.18250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45751	1.0
58.02842	5.1
59.01243	18.6
60.07680	0.6
70.02850	0.8
71.01216	0.7
73.17017	0.8
74.02345	0.7
77.61453	0.7
78.26816	0.6
84.04411	6.2
95.47190	0.6
100.03922	0.7
100.07530	9.6
102.05466	70.0
112.07483	0.9
127.99503	1.4
128.03406	100.0
146.04471	18.6
149.04568	0.8
150.30798	0.8
156.06573	1.4
163.11182	11.2
164.11443	0.9
191.14316	4.2
201.02591	0.9
217.12263	2.4
235.13371	30.4
236.13757	2.0
258.18661	1.3
302.17685	2.1
320.18713	9.0
328.22977	0.7
346.16599	13.2
364.17679	51.9
365.10056	1.0
365.17953	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	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97496	0.7
52.12202	0.7
58.77217	0.6
59.01236	8.1
61.10685	0.7
65.29076	0.9
71.01240	2.6
72.16055	0.7
74.73610	0.8
75.00734	2.5
83.90964	0.7
85.02814	1.0
87.00748	1.3
89.02281	1.8
96.95857	1.8
101.02275	0.9
108.02026	30.7
121.16150	0.8
123.04398	15.2
152.01038	32.9
167.03400	100.0
168.03690	2.5
185.04529	2.3
305.08884	1.8
329.08734	8.7
365.18182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68619	0.7
54.03296	0.6
54.28873	0.7
59.01244	7.4
71.01239	2.7
73.02806	0.8
75.00732	1.3
79.56469	0.9
85.02789	1.3
89.02309	1.9
96.95885	1.8
96.96861	0.8
101.02295	0.9
104.67171	0.8
108.02030	27.8
113.02316	1.2
123.04393	15.0
127.02155	0.8
133.52736	0.8
141.05507	1.2
152.01039	33.1
156.31235	1.0
159.18637	0.9
160.03947	2.3
167.03404	100.0
168.03735	2.5
184.06010	1.4
185.04466	2.8
186.02325	1.0
188.22058	0.9
260.16730	0.8
318.89560	0.9
329.08737	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	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01241	10.3
61.26146	1.4
68.89296	1.3
71.01241	1.6
113.02358	1.7
158.03642	16.4
159.04430	5.5
175.03958	1.6
192.03842	1.6
201.05624	2.6
202.02649	100.0
203.03227	6.8
213.05544	2.9
260.30237	1.6
305.08676	1.8
365.08777	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1355
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
58.54297	0.3
59.01024	0.3
59.01242	3.5
61.98690	0.7
70.37666	0.3
71.01235	3.3
72.00764	6.8
73.02797	2.0
74.02328	12.2
75.07166	0.3
80.24952	0.3
81.16956	0.3
85.02807	1.1
85.25008	0.3
87.00756	0.5
89.02303	0.9
95.01284	0.3
96.60837	0.3
96.95856	1.3
101.02299	10.8
113.02278	3.2
116.04924	36.0
116.08090	0.5
117.05259	1.4
121.02764	0.8
130.06502	0.8
130.34543	0.3
131.03400	0.4
134.70865	0.4
138.51988	0.4
142.06511	10.3
143.03349	0.4
159.09178	8.8
161.04454	3.3
165.01833	0.4
180.66560	0.3
185.04514	0.5
186.05557	1.8
203.08195	100.0
203.15582	1.1
204.08513	3.7
215.94206	0.3
231.34810	0.4
250.97847	0.3
295.78821	0.4
328.79349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20069	0.8
57.03302	1.7
59.00966	1.3
59.01240	15.6
69.17139	1.1
71.01236	3.2
71.04872	1.7
72.99163	1.2
73.02810	1.6
81.25507	1.7
83.81422	1.0
85.06467	1.8
89.02304	2.6
91.03882	2.3
94.06461	3.6
97.06445	2.5
99.04357	4.1
109.06436	7.4
111.08027	3.3
115.07504	7.9
118.42321	1.0
118.76649	1.0
123.08085	1.8
125.09561	3.5
127.07526	6.3
128.77054	1.1
141.19051	1.2
176.00165	1.1
181.12291	10.1
183.13795	5.6
189.13826	3.5
193.12305	1.8
209.67088	1.1
211.11548	2.1
211.13362	14.1
212.13922	1.6
215.11853	1.8
220.76802	1.2
223.03780	1.3
227.12862	5.0
229.14420	20.9
233.12869	6.7
245.13913	23.1
246.14236	1.2
255.12379	5.8
259.10834	1.9
273.13458	29.0
277.11893	5.7
291.14499	100.0
292.14890	4.7
321.10788	1.5
365.18167	93.6
366.18433	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	365.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74889	18.2
54.94783	27.5
59.01240	100.0
61.02925	26.1
62.89214	19.0
66.22712	20.0
67.75854	21.3
71.49969	20.5
129.03729	26.5
151.55002	26.0
173.80133	23.6
201.02603	29.5
229.01192	25.9
242.68091	25.0
283.26437	61.1
365.26773	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.0
59.01248	10.4
68.52618	1.1
69.03337	3.9
70.92479	1.2
71.01234	15.0
71.04879	13.1
71.17301	1.1
72.02030	14.9
73.02800	18.7
81.03329	1.9
83.04913	4.3
85.02822	1.2
85.06463	2.5
87.02281	1.7
87.04372	100.0
93.03341	1.1
95.04920	3.8
97.06451	5.4
98.03626	1.8
99.04417	4.0
99.08031	1.4
109.06447	7.4
111.08044	2.1
112.49265	1.1
121.06494	1.4
121.10130	2.1
123.08128	1.4
124.05179	1.3
125.09631	2.4
132.10231	1.1
135.08084	2.8
135.11662	5.9
137.09673	2.4
139.07524	28.7
139.11212	1.6
146.57098	1.2
149.09654	1.7
149.13254	37.4
149.14369	2.2
150.13628	2.1
151.07588	2.1
151.11282	1.7
153.09108	26.8
153.10266	1.9
154.09566	1.2
161.09782	1.3
163.14844	22.1
165.09192	3.6
167.10736	3.1
180.13666	1.0
191.18050	1.7
201.02516	4.7
201.16492	1.8
203.18016	11.6
205.12376	1.6
219.17488	14.4
227.18057	6.1
231.21152	8.9
232.21880	1.2
233.19142	1.7
235.17131	3.5
245.19066	15.5
246.19562	1.7
259.20691	14.4
259.23096	1.7
263.20169	36.3
264.20572	2.5
267.21219	8.4
273.22379	1.6
275.20309	6.0
275.24069	1.3
277.21884	1.7
285.22229	22.8
293.21436	2.4
303.23294	47.5
304.23776	2.9
321.24316	7.6
356.76764	1.3
365.23276	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	4.7
59.01247	24.5
69.51441	3.0
71.01243	15.6
71.04882	3.3
72.02019	16.1
73.02807	15.7
76.64654	2.9
80.53941	3.8
84.83931	3.0
87.04371	100.0
97.06467	6.1
99.04384	5.1
104.58407	3.6
109.06525	6.6
135.11668	4.0
139.07541	14.6
139.11101	4.9
149.13226	28.3
151.07559	3.6
151.11131	7.0
153.09125	14.7
163.14851	14.4
165.12729	14.5
168.13826	9.3
169.14192	9.0
198.00368	3.5
201.02501	19.4
202.45865	3.3
203.18054	4.7
212.32118	3.4
231.21150	7.6
247.20656	15.5
259.20724	14.9
267.21231	7.6
273.19009	3.6
273.22345	9.7
275.20300	3.8
277.21930	5.4
285.22055	19.2
291.19696	68.5
291.23322	24.4
292.20264	4.8
293.21274	8.2
303.23254	43.9
318.69073	3.6
321.24234	15.9
365.23438	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	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60736	0.7
57.03308	2.8
59.01245	5.4
69.03307	4.5
71.01241	5.2
71.04880	1.7
71.09857	0.8
72.02030	5.2
73.02807	3.2
83.04892	1.0
84.02023	1.6
85.02816	1.0
87.04370	22.4
95.04910	1.4
96.67937	0.8
97.06447	8.0
99.04341	1.2
99.08056	0.9
109.06509	0.9
110.03596	0.9
111.08012	8.5
113.09580	4.8
123.08031	1.7
129.12741	0.7
135.11653	1.0
139.07542	2.0
139.11249	0.9
149.13240	4.1
153.09128	1.6
153.12720	2.1
154.98714	0.8
157.03738	0.9
163.14845	1.4
163.93367	0.9
177.12750	1.0
179.14221	4.3
179.45502	0.8
181.84604	0.9
187.14828	1.2
189.12791	1.1
192.15916	1.0
195.13892	1.4
201.02579	1.0
205.15926	2.3
207.13881	3.5
209.15367	1.1
223.13530	1.1
223.17004	12.0
233.15497	2.1
249.22270	3.7
250.15674	3.3
251.16512	27.3
252.17218	9.9
259.20749	3.2
277.21777	11.2
284.16339	17.3
285.16660	1.1
285.22302	2.9
291.23376	2.2
293.21286	6.0
293.24951	4.8
303.23340	11.5
321.24362	100.0
322.24643	5.2
328.23352	1.0
347.40491	1.0
365.23407	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	365.2334
Annotation	Betaenone A
Peak:m/z	Relative Intensity
57.03316	4.4
59.01240	3.2
66.93188	0.3
69.03306	0.5
71.01242	1.3
71.04860	0.6
72.02018	2.5
73.02784	0.8
80.02560	0.4
83.04867	1.2
83.46648	0.3
87.04350	2.0
95.04890	2.6
97.06419	0.6
107.04852	0.3
109.06455	0.8
111.08018	13.3
113.09589	4.1
123.08025	0.7
125.09605	2.8
127.11142	0.4
139.11137	1.1
153.12729	1.9
165.12720	0.9
167.14267	1.1
171.45644	0.3
179.14290	2.0
181.15901	1.6
193.12297	0.4
195.13919	0.5
201.02428	1.1
205.16089	0.4
207.13885	1.2
209.15398	1.2
221.15346	0.4
221.19141	0.5
223.17029	1.2
235.20734	0.4
249.22217	3.5
251.16527	0.5
252.17273	2.9
253.17929	0.5
267.19797	0.5
277.21744	15.1
278.22043	0.6
284.16397	0.6
291.23337	3.0
293.21246	3.9
293.24866	2.3
303.23215	2.5
319.22580	2.1
321.24365	100.0
322.24716	6.7
347.25943	13.6
348.26163	0.7
365.23062	2.8
365.27020	4.4
387.17383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58590	15.9
59.01236	39.2
62.79683	13.8
65.73499	14.6
71.10763	15.3
95.49660	16.2
104.47483	16.5
108.06142	19.9
185.33806	17.4
214.52211	19.6
227.44521	19.8
279.14941	18.0
283.26443	100.0
365.26822	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.07571	0.1
55.01766	0.2
59.01244	1.3
70.59702	0.1
80.02226	0.1
81.76247	0.2
85.06444	2.3
106.01584	0.2
113.23419	0.1
118.96832	0.2
137.02362	0.2
153.12796	0.2
154.68394	0.1
154.85349	0.1
164.93013	0.1
182.21863	0.2
187.47624	0.1
199.13339	1.2
243.17700	0.2
251.20091	0.4
261.18558	0.8
264.88693	0.2
279.19662	17.6
280.20050	0.8
283.26401	0.3
347.25943	6.0
348.26367	0.2
363.25476	0.6
365.26981	100.0
366.27325	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	365.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99250	0.2
59.01241	1.5
60.01583	0.2
63.87412	0.2
85.06447	2.5
106.01569	0.3
199.13322	1.6
201.02438	0.2
219.17514	0.2
251.20135	0.5
253.21800	0.2
261.18567	0.8
279.19656	17.9
279.31573	0.2
280.20007	0.8
283.26382	0.4
299.48849	0.2
303.27097	0.2
325.40979	0.2
329.24585	0.2
347.25943	6.7
348.26358	0.5
363.25363	0.8
365.26978	100.0
366.27313	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	366.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22837	0.5
55.33375	1.4
55.33617	0.8
59.01242	3.1
72.90902	0.5
86.25463	0.6
87.13049	0.6
91.05408	0.8
97.87910	0.7
102.03345	0.9
104.04931	0.8
105.06960	0.6
108.72923	0.6
120.04397	1.5
130.06567	0.8
132.04440	1.9
146.06006	3.3
148.07567	50.5
149.07858	1.4
161.27580	0.6
162.05632	0.8
233.19135	0.9
271.32321	0.7
366.24387	100.0
367.24680	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	367.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39361	1.0
54.04535	1.4
55.34697	1.1
59.01237	7.1
62.70033	1.5
71.01253	1.4
74.72575	1.2
82.02835	2.4
89.02302	1.7
94.02847	26.3
96.04411	5.6
96.95878	1.7
100.92569	1.3
107.03660	1.8
108.04428	9.6
110.05975	44.0
118.96040	1.3
120.04418	10.7
121.05197	2.1
122.05989	54.4
123.06348	1.4
124.03883	3.0
134.06000	13.5
135.06714	1.9
136.03934	28.5
136.04759	1.1
136.07558	31.2
137.04663	1.6
138.05490	19.5
148.38606	1.6
150.05528	10.3
152.07080	9.2
156.06635	2.1
162.90981	1.4
186.09164	2.2
188.10703	14.7
201.06693	1.5
203.08160	2.0
204.10268	1.7
215.08231	4.3
216.09111	6.8
228.10359	2.6
229.09784	9.7
230.11835	4.0
231.11362	100.0
232.11601	2.3
236.09381	2.2
240.08894	1.9
255.11525	6.7
257.09445	2.3
258.10080	3.3
273.12479	65.5
274.12930	2.6
275.10413	12.1
276.16376	1.7
291.13522	16.8
295.74371	1.6
317.11469	14.0
335.12668	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	367.1657
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
54.21120	1.9
59.01237	11.8
61.98693	3.6
69.61520	2.3
71.01250	2.6
73.02794	4.1
83.04895	2.7
95.52764	2.1
168.02682	2.6
195.13847	6.9
201.32074	2.8
205.16014	3.7
221.15390	4.8
223.17007	17.6
233.15482	7.9
235.17012	34.4
251.16536	34.7
255.13547	4.8
273.14737	68.4
273.18375	3.6
273.18896	3.6
275.20145	43.7
289.51865	2.9
291.19778	4.4
293.21283	31.3
309.11099	14.1
309.20740	57.0
310.21130	3.6
367.16635	100.0
367.24667	28.2
368.17041	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	367.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51980	35.8
53.11649	33.7
56.99829	35.4
59.01228	100.0
63.42840	35.6
67.98618	33.7
68.75611	36.3
69.69202	38.7
128.62209	42.3
130.10309	41.0
135.33562	36.6
268.83566	52.8
328.63022	50.4
367.23196	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	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	32.0
78.24350	4.8
108.08260	4.9
109.99459	4.8
121.02895	7.1
129.35309	4.8
195.13919	10.0
223.13472	7.0
260.13647	6.9
293.21219	100.0
293.24478	6.1
367.25009	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99916	1.2
59.01242	100.0
59.02417	2.1
60.01581	0.6
68.15012	0.2
68.25761	0.2
91.72811	0.2
93.96438	0.3
108.64319	0.2
140.03900	0.2
173.04568	0.3
211.66589	0.2
245.22743	0.6
289.21802	2.3
307.22821	0.8
367.23175	1.1
394.88391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
51.58178	1.5
57.03318	4.4
59.00983	1.9
59.01240	13.6
62.09834	1.5
79.23827	1.5
81.01099	1.5
87.04378	4.6
91.72816	2.8
95.23760	1.7
97.06449	1.8
99.00689	2.0
106.57719	1.9
113.09582	36.8
120.13565	1.9
153.12769	4.2
177.09117	3.6
178.68327	2.1
181.15839	2.9
209.15448	4.9
251.23792	5.7
279.23291	20.0
293.24826	2.9
295.22678	5.2
309.20627	2.0
323.25925	100.0
324.26358	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	367.2491
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
57.03320	7.9
59.01249	5.2
62.58075	0.7
65.36852	0.8
69.03304	1.4
71.01236	5.2
71.04886	2.8
72.02022	8.2
73.02808	5.6
81.03320	1.1
83.04881	1.2
85.06460	1.3
87.04374	37.1
91.73338	2.0
93.03362	1.6
97.06454	3.8
99.04375	1.8
99.08041	4.7
109.06465	2.2
113.09586	35.4
125.09657	2.5
127.11150	1.1
139.07509	6.3
148.36961	1.0
149.13348	1.1
152.99564	1.0
153.09116	6.3
153.12764	5.3
165.09145	1.2
167.14383	1.9
173.04436	1.3
173.13387	1.0
179.14375	2.4
181.15915	2.9
187.14755	1.6
193.16116	1.1
195.13838	2.6
197.70012	1.0
205.15945	7.2
205.19695	1.6
209.15424	7.1
223.17018	18.4
223.20596	1.8
240.65092	1.1
251.23833	6.0
261.22241	3.9
269.22839	1.8
277.21835	2.1
279.23331	26.7
280.23578	1.4
287.23975	6.0
293.25012	3.2
295.22885	6.6
295.26312	1.6
305.24863	16.2
306.25150	1.0
307.10266	1.2
323.25937	100.0
324.26331	5.8
338.41922	1.2
367.20139	1.1
367.24802	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06684	0.3
53.76498	0.3
54.92334	0.3
56.44740	0.3
59.00054	1.8
59.01242	100.0
59.02566	1.3
60.01590	0.5
63.57418	0.5
63.91689	0.3
85.58482	0.3
110.76157	0.4
123.54512	0.3
199.90869	0.4
289.21896	2.5
367.23035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.1
59.01257	10.0
66.66927	2.5
71.01263	3.7
72.02032	4.7
73.02827	5.3
78.16433	2.5
87.04388	13.8
91.73388	4.5
93.42781	2.5
97.06474	8.8
98.01376	2.4
112.34035	2.2
115.51791	2.6
126.47449	2.4
139.07581	3.4
153.09178	5.5
153.12762	5.7
174.43892	2.9
181.15848	15.5
191.07899	2.7
205.19635	3.1
209.15382	20.4
212.79044	2.8
223.17047	6.1
225.14896	4.6
225.18559	17.3
235.17197	4.9
249.78973	2.7
253.15416	5.1
253.18076	100.0
263.51178	3.1
287.24020	4.2
295.22873	4.5
305.24704	20.6
323.25888	58.5
367.19724	3.5
367.24951	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	368.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45618	0.4
57.62153	0.6
59.01234	0.9
61.97287	1.2
61.98693	100.0
61.99936	1.9
76.53778	0.5
81.95206	0.4
107.03496	0.4
112.16894	0.4
116.04897	0.5
123.02677	0.6
126.09601	0.5
134.04604	10.4
152.03470	0.5
159.05574	2.0
162.05589	0.5
193.32382	0.5
196.02484	0.9
217.78294	0.5
239.26860	0.5
274.78952	0.5
350.10449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
72.29897	0.3
72.99165	25.9
73.00721	0.4
73.94037	0.4
75.00729	22.0
78.04263	0.3
78.95763	1.8
79.35017	0.3
80.91548	0.5
84.54140	0.3
85.96828	0.4
96.96807	0.6
99.92437	2.6
115.91901	0.9
116.92719	0.9
117.00310	0.6
132.04689	0.4
152.83588	0.4
154.02591	0.3
158.43491	0.4
191.71704	0.4
211.20651	2.0
225.22229	0.5
241.21654	2.2
251.48337	0.3
287.22290	100.0
288.22693	3.7
296.82465	0.6
313.70322	0.6
314.35254	0.4
369.22473	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	369.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.4
59.01229	0.8
63.99020	0.3
69.96656	0.4
72.27195	0.4
72.97613	0.4
72.99165	22.5
74.04959	0.3
75.00729	20.4
78.95760	11.7
80.91527	0.6
87.60992	0.4
96.96825	3.9
99.92416	1.9
112.56491	0.4
115.91937	0.5
116.92711	0.7
117.00291	0.6
166.19937	0.4
211.20634	2.4
241.21634	2.2
261.80200	0.4
270.56671	0.4
287.22287	100.0
288.22650	3.2
296.82095	0.7
311.16870	1.5
313.70392	0.7
369.17755	0.6
369.21951	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	369.2283
Annotation	19-hydroxyprostaglandin H1
Peak:m/z	Relative Intensity
50.96698	0.4
51.85407	0.4
52.45879	0.4
56.31552	0.4
56.64288	0.4
59.01230	0.7
62.97779	0.4
69.50733	0.5
71.04866	0.7
74.47754	0.5
78.32962	1.2
78.33350	0.5
80.18925	0.8
80.19308	0.5
80.68136	0.4
90.01211	0.6
90.01690	0.6
126.89496	0.5
180.61156	0.6
263.23810	24.3
264.24072	1.4
279.23294	6.4
281.24872	100.0
282.25162	5.0
289.21750	1.4
297.24539	0.7
307.22806	21.2
308.23340	1.2
325.23843	33.0
326.24258	2.2
351.21793	87.2
352.22092	4.5
369.22842	81.8
370.23190	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	369.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11499	0.3
59.00003	1.7
59.01242	100.0
59.02314	1.2
60.01578	0.7
62.66720	0.3
63.57337	0.7
65.41145	0.3
88.31496	0.3
105.54837	0.4
109.32906	0.4
132.15524	0.4
145.67781	0.4
189.53343	0.4
200.48196	0.4
235.68887	0.4
291.23325	2.6
311.17017	0.5
394.54810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1298
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
50.97767	0.3
51.26694	0.4
51.58775	0.3
52.31428	0.3
52.37783	0.3
59.01230	0.8
59.31260	0.4
61.98687	0.4
66.64195	0.3
67.57175	0.3
68.99678	0.7
71.01235	0.6
83.01247	0.8
84.53065	1.2
84.53611	0.8
86.31481	0.3
91.05396	0.4
91.72741	0.5
101.72471	0.4
102.05450	1.1
105.06960	4.5
106.04101	6.1
106.06489	0.8
107.77832	0.3
108.02007	0.5
112.95609	0.4
116.04928	3.3
117.38760	0.4
118.06476	0.3
120.08002	0.4
128.02538	0.4
128.03424	1.4
130.06500	21.8
132.08052	1.1
142.06511	2.3
144.04471	0.6
145.05251	3.4
146.05998	3.5
148.07556	2.2
149.05962	0.8
157.05174	0.4
158.06032	2.1
160.07570	17.0
161.07858	0.5
176.07092	0.8
184.07646	0.4
196.74753	0.5
203.05811	11.6
204.06546	2.1
212.10733	0.9
215.05713	0.6
224.10805	0.9
226.12280	1.8
235.04874	4.6
238.08690	1.0
241.14404	0.6
254.11861	8.7
263.08182	0.4
266.11880	4.2
282.11447	0.5
294.11255	0.5
308.12842	0.9
310.10861	83.0
311.11237	4.2
322.10657	1.7
334.10760	0.5
352.11868	2.5
369.94928	1.0
370.12970	100.0
371.13251	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	370.1661
Annotation	Cardionidine
Peak:m/z	Relative Intensity
51.47576	0.4
54.72128	0.4
55.55188	0.4
56.44009	0.4
58.79145	0.4
59.01235	1.1
61.98693	3.3
86.78004	1.5
86.78560	0.7
89.68332	0.6
91.72923	1.1
93.03324	3.1
106.03398	0.8
106.04099	11.8
106.06444	0.9
108.02036	3.4
118.06474	1.7
119.04849	2.6
121.02815	1.3
138.03087	1.5
144.04388	0.7
145.05177	2.0
147.43024	0.5
174.12714	1.0
176.14357	13.1
177.14742	1.1
194.09686	0.6
202.12300	15.9
210.09134	2.7
212.10776	5.4
251.09467	1.0
256.09802	21.1
257.10007	0.9
280.17117	6.0
282.18631	15.0
283.18933	1.1
308.16571	5.2
326.17636	89.3
327.18036	6.2
370.16629	100.0
371.16986	7.3
392.07141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.6
59.63365	0.9
59.99730	1.0
64.74531	1.0
79.95599	2.8
82.97036	1.1
92.45938	1.1
96.93066	1.5
96.95869	100.0
100.59312	1.0
107.04893	6.1
121.02813	2.5
122.03597	4.2
128.03348	1.2
128.05644	1.1
131.98241	1.3
136.16158	1.4
137.02318	1.3
139.44005	1.2
182.77513	1.3
183.01134	2.8
229.08678	4.9
251.06851	1.7
267.03717	1.9
273.07703	11.8
274.08047	1.5
285.04440	30.3
286.04861	1.8
295.05908	4.0
299.02405	8.4
301.58203	1.6
311.02734	3.4
327.05295	2.0
329.03461	18.5
330.10510	1.5
371.04526	22.7
371.14969	1.9
371.19092	3.5
372.04929	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.89444	0.2
57.03306	0.3
59.01002	0.3
59.01250	3.3
59.27494	0.3
59.41587	0.2
60.01591	0.3
71.01237	2.0
73.02800	0.7
77.03822	0.8
83.01241	0.7
85.02807	0.8
87.87996	0.3
91.72754	0.4
96.95879	0.4
99.00780	0.4
101.02321	0.9
102.05451	0.9
102.25699	0.3
113.02330	0.4
121.02821	100.0
121.06470	1.1
122.03168	2.6
128.03430	1.5
146.04471	2.1
147.04707	0.3
161.45625	0.4
165.01836	50.3
165.07481	0.6
166.02209	1.1
209.04509	0.4
210.26547	0.3
286.72247	0.3
371.09845	41.6
372.10147	2.0
372.16476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31928	0.5
58.02562	0.9
58.02841	17.1
70.02837	37.8
70.04400	0.6
71.36877	0.5
76.41278	0.6
79.66953	0.5
79.81196	0.5
80.02332	0.6
93.03314	3.1
96.00765	43.1
97.01088	0.6
106.04102	17.5
106.06464	3.4
108.02029	1.6
114.01830	100.0
114.05043	1.3
115.02171	1.1
118.06495	6.3
119.04892	3.8
120.04424	0.7
120.33221	0.6
130.06473	0.8
132.08124	0.7
138.03067	0.8
144.04395	1.0
145.05188	2.1
146.48398	0.6
158.05992	2.1
160.07582	8.4
167.38242	0.6
170.09668	1.6
194.09683	1.2
203.08229	4.2
210.09177	6.1
212.10738	34.6
213.11124	1.2
224.10776	12.9
238.12358	1.1
251.09512	1.0
256.09787	60.3
257.10126	2.6
266.11789	1.5
267.11386	1.8
268.09900	3.3
292.09760	0.7
309.12457	18.1
310.12943	0.8
312.08694	1.1
327.13535	10.8
371.12482	62.2
372.12949	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43287	0.2
52.29986	0.4
54.43562	0.3
56.53114	0.8
56.53368	0.5
58.75190	0.6
59.01245	0.8
64.80036	0.2
68.04115	0.3
68.63574	0.2
71.01237	0.6
71.32529	0.2
75.26262	0.3
88.40696	0.4
93.52972	0.2
94.02836	0.7
94.06477	2.8
97.49010	0.4
102.98215	0.2
103.01730	0.3
103.04137	1.2
104.04917	2.1
106.06488	10.0
107.03607	0.7
115.00193	1.6
119.03622	0.3
120.04395	0.4
122.05989	15.1
122.09500	0.3
124.07581	2.0
130.02858	3.3
132.04411	0.7
134.05997	39.9
135.04436	0.3
135.06363	0.6
147.03163	1.0
150.05527	0.6
152.07065	69.6
152.12062	0.8
153.07387	1.1
160.03996	0.9
160.07599	0.6
162.05505	55.7
162.10997	0.7
163.05818	1.8
164.75397	0.3
174.01927	0.5
174.05525	0.6
176.07068	0.6
186.01863	2.7
206.04538	27.7
207.04886	0.7
212.10774	0.6
218.04539	4.8
219.05161	0.4
256.09848	1.1
269.13086	1.7
281.12894	0.6
297.00681	0.3
297.12445	1.3
313.11887	3.6
320.84735	0.4
325.11917	1.5
327.13617	3.1
341.11472	7.8
342.11749	0.4
343.13055	0.6
353.11646	0.8
371.12503	100.0
372.12946	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	371.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21079	15.4
61.98668	17.1
65.71923	16.3
65.76796	17.1
74.50684	18.2
77.18927	17.7
81.81081	17.0
84.75658	17.1
85.32628	16.4
91.73291	31.5
106.32340	19.1
119.04920	30.6
124.39420	23.2
135.97978	21.0
248.87073	22.1
255.23372	47.1
310.41528	25.0
327.26822	98.9
371.25888	100.0
378.38986	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	372.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95541	1.4
59.01233	6.0
61.98704	2.2
96.95869	2.1
102.05465	15.4
106.04099	20.7
108.02048	1.7
116.04932	6.1
120.08047	16.0
121.02830	2.2
126.03690	1.9
128.03400	16.0
128.04182	1.8
143.10663	2.5
146.04684	3.2
146.06017	20.5
181.99840	4.0
187.03929	2.0
197.09723	5.2
207.80687	2.2
222.09244	8.4
224.10695	3.9
226.12357	19.9
234.08905	2.7
237.08968	14.5
243.16124	2.6
264.10059	5.2
270.11377	100.0
271.11740	7.1
273.05487	2.2
274.08524	54.0
275.08987	3.2
281.08047	4.3
292.09586	44.3
292.12894	2.6
298.05069	5.4
300.06531	7.2
308.09256	2.5
310.05002	3.4
314.14026	47.2
328.05743	10.5
336.12201	93.7
337.12439	5.2
371.24896	2.0
372.09561	8.3
372.15607	2.3
372.20248	16.2
372.24744	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	372.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03547	0.3
54.17071	0.3
59.01242	7.4
70.99471	0.6
71.01239	55.9
71.02800	0.7
72.01589	0.6
76.42926	0.3
76.50455	0.4
91.72926	0.7
92.04932	0.8
93.03310	4.8
96.99171	0.9
106.04103	18.4
106.06483	3.8
107.04478	0.5
108.02016	2.6
115.00236	100.0
115.03532	1.3
116.00561	0.9
118.06493	7.3
119.04904	3.6
123.18266	0.4
130.06503	0.9
132.08084	0.9
134.05998	0.9
134.09644	2.2
138.03120	1.0
144.04437	0.8
145.05232	2.4
150.05490	0.4
152.07008	1.3
160.07574	45.0
160.12932	0.6
161.07925	1.3
162.05458	0.5
170.09627	1.8
194.09721	1.9
210.09178	7.0
211.29056	0.3
212.10751	30.5
213.11102	1.0
222.09294	0.7
224.10803	5.5
225.11053	0.5
238.12376	2.8
240.13983	1.1
256.09790	82.7
256.20612	0.7
257.10138	3.8
266.11874	17.4
267.12222	1.2
268.09753	2.0
280.83316	0.4
282.11206	0.6
284.12900	8.8
285.12717	1.0
310.10852	3.5
328.11929	10.3
329.12051	0.6
372.10892	65.1
373.11261	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26624	0.2
54.21464	0.1
55.94938	0.1
56.53104	0.2
57.86035	0.1
59.01241	0.6
71.71726	0.2
73.25874	0.2
74.57270	0.2
78.95763	5.2
79.95589	2.7
81.03305	0.2
82.95261	0.6
83.04886	0.3
87.69258	0.2
89.65585	0.1
96.93076	1.0
96.95872	100.0
96.96777	9.0
96.98322	1.6
97.92988	0.2
102.05471	0.3
105.70509	0.1
106.04124	0.4
107.04868	1.0
113.92529	0.2
114.93298	0.4
119.78204	0.2
123.74173	0.2
125.05941	0.4
128.03419	0.5
134.03682	0.2
137.02324	0.3
146.04468	0.3
151.03932	1.3
152.04678	1.0
169.05060	0.2
196.03683	0.6
211.06082	1.0
213.09190	1.6
229.08806	0.2
257.08139	2.7
275.09277	3.2
329.03387	0.2
373.11404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34270	0.6
50.61340	0.6
55.44373	0.7
57.14243	0.7
59.01242	5.2
61.98693	6.6
63.76906	0.8
63.91848	0.7
65.70321	0.7
66.03367	0.7
67.58597	1.0
68.98165	0.8
68.99675	27.4
69.00036	1.5
69.03279	0.7
69.36839	0.7
71.01269	0.9
74.39772	0.7
78.03365	0.9
78.44892	0.7
79.97888	1.3
80.04913	19.0
80.50584	0.7
92.04911	19.4
94.06514	2.3
96.95892	2.1
101.90937	0.9
104.04913	4.4
106.06490	7.2
108.04444	1.4
109.02867	1.3
116.04974	3.3
118.06512	1.6
121.02893	0.9
122.05981	10.2
130.08768	0.8
131.03685	1.9
132.00436	1.0
132.04427	67.8
133.04814	1.6
134.06038	1.6
136.01622	1.4
136.03891	1.2
144.04414	7.5
148.03978	2.9
148.07593	0.9
150.05501	23.8
151.03937	2.3
158.06004	5.4
158.69380	0.9
162.05502	4.8
166.05000	42.2
166.10178	1.0
169.07648	1.9
170.08459	2.6
183.09265	1.3
184.07710	0.9
185.10759	55.1
186.11171	2.4
193.07721	1.0
194.08377	1.3
195.09380	1.1
197.10818	1.7
209.10774	4.5
210.09293	1.9
211.29401	0.9
212.09538	1.2
212.33128	0.8
213.10387	3.0
217.00783	0.7
221.07109	4.4
222.07741	4.5
227.11876	5.9
236.09566	1.3
237.10306	73.7
238.10756	3.3
241.07355	3.8
243.08975	0.9
249.01605	0.8
249.10405	4.7
251.07210	1.0
255.11386	41.5
256.11810	2.0
258.71579	0.9
267.11404	29.4
268.11835	1.8
279.06781	1.1
281.09494	1.1
283.08521	1.5
285.12460	15.5
287.10373	1.8
294.07269	0.9
299.10535	1.4
311.10397	100.0
312.10669	5.6
329.11444	82.0
330.11780	5.3
373.10565	3.5
373.18829	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	28.1
61.98687	2.4
62.01038	0.6
68.73838	0.6
71.01244	0.9
71.45271	0.6
72.99168	0.9
78.95744	0.7
87.00726	1.3
91.73317	1.0
93.03277	0.7
96.95870	16.5
99.89250	0.6
101.02346	0.8
105.01806	1.9
108.02003	1.5
123.04380	1.4
125.02316	0.8
128.03430	2.4
133.99297	0.9
134.03610	73.2
135.03975	1.5
136.01541	51.9
137.02161	1.1
149.05971	100.0
150.06329	3.7
151.03899	83.8
152.04239	2.8
157.25812	0.8
209.55334	0.7
211.06081	18.6
245.05836	0.7
275.12466	2.2
373.11407	21.0
374.11737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36328	2.1
59.01225	10.3
61.98719	1.6
71.01231	3.9
73.02800	1.8
75.00735	33.1
79.10818	1.5
81.02064	2.3
81.03284	1.8
83.83957	1.5
89.02304	6.4
96.95854	4.0
100.00273	2.1
103.53542	1.6
107.03604	1.9
110.02341	6.5
111.00740	1.9
114.05247	1.8
117.05685	2.8
122.02325	2.3
122.09616	7.4
124.00256	9.6
124.02647	3.5
124.03886	3.8
125.01069	3.3
125.87196	4.4
128.03436	4.4
132.04430	4.2
135.02872	100.0
136.01553	3.6
137.04956	1.8
138.09125	4.7
146.04445	4.1
146.09668	2.0
148.03899	2.6
150.00580	2.7
151.03905	5.2
153.00595	6.1
153.49742	2.0
157.86191	2.5
160.02457	1.9
165.10196	2.6
166.01399	4.8
166.08560	3.1
167.11803	5.3
168.10170	5.2
171.29237	1.8
176.02138	3.6
178.08717	2.1
180.10156	2.2
193.09770	35.3
194.08287	2.5
194.10091	1.8
199.10811	1.8
207.04446	2.1
207.11386	6.9
208.09677	17.7
208.11304	1.9
209.09264	30.8
211.10892	2.6
221.09241	20.6
233.09286	5.4
234.07724	3.8
237.12471	4.2
251.10422	12.5
253.08299	4.7
255.09851	6.1
257.06915	3.3
265.08359	17.9
267.13593	3.1
268.11942	2.9
294.09750	3.6
299.10220	3.5
311.12585	39.9
312.12949	2.2
323.93002	2.0
329.07825	2.1
329.11499	4.0
373.11826	2.6
373.19028	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	373.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40181	1.4
59.01241	17.3
61.98703	2.0
71.01242	4.4
72.88011	1.7
72.99154	3.1
74.02309	1.9
75.00729	26.3
81.03317	2.2
82.06487	1.6
83.04950	1.7
87.00730	1.6
89.02309	4.7
93.10567	1.7
96.95882	10.7
100.00255	12.3
101.02275	2.8
102.05475	3.3
102.82069	1.8
109.02806	2.1
111.46887	1.8
122.09631	2.0
124.00323	2.3
126.01858	6.2
128.03407	4.8
132.52927	1.7
135.01823	2.9
135.02867	60.3
136.01559	8.0
140.10722	8.8
140.56635	2.1
150.09209	1.7
151.03896	13.2
153.05255	1.9
160.02435	6.1
166.08643	3.6
168.10205	100.0
169.02415	2.3
169.10577	3.0
193.09758	7.4
194.52551	1.6
196.09767	4.0
202.53011	2.0
208.09740	3.0
209.09279	4.3
211.10870	6.4
212.09183	13.7
235.29213	2.1
239.10394	12.8
251.10109	2.3
255.09871	52.8
283.09332	2.8
303.19382	2.4
311.12515	5.2
333.77588	1.9
373.18411	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17897	0.3
51.42817	0.2
52.21036	0.2
54.15207	0.3
54.67794	0.5
56.65077	0.4
57.21606	0.2
59.01237	1.1
65.00556	0.2
68.99696	0.4
70.73180	0.2
80.04901	2.8
80.82173	0.2
81.03311	0.3
89.14555	0.3
89.19293	0.3
94.02843	0.4
94.06484	0.6
99.00751	0.6
103.04132	0.5
104.02132	0.3
104.04919	14.2
104.29619	0.3
104.30268	0.3
105.03343	0.4
105.05189	0.3
106.02871	0.4
106.06487	7.1
108.04416	9.4
108.05125	0.6
114.33742	0.2
116.04940	0.4
122.05993	6.9
124.07557	1.7
132.00395	0.9
132.04427	75.2
133.04774	1.9
134.01863	0.5
134.05992	43.4
135.06372	1.0
136.01489	0.4
144.04431	0.5
147.03117	0.5
148.03926	15.2
150.05505	0.4
151.03856	0.6
152.02090	1.0
152.07060	100.0
153.07401	2.5
158.02393	0.3
160.03943	0.9
164.07083	1.1
166.04929	0.6
176.03447	16.8
177.03802	0.5
177.68541	0.3
185.53387	0.3
188.03497	1.9
188.11678	0.3
190.05016	1.5
208.06097	18.6
209.06406	0.7
220.06165	1.1
223.08725	0.5
239.11922	0.9
251.11821	0.7
267.11343	1.5
269.12988	1.1
273.12451	5.3
273.15121	0.5
274.12747	0.3
279.11441	0.5
283.11069	1.0
285.63513	0.3
295.10834	0.7
296.11545	0.3
297.12457	22.5
298.12808	1.1
311.10455	2.4
313.11905	1.6
314.12662	0.3
323.10327	1.2
329.28564	0.4
341.11438	62.4
342.11768	4.0
355.13083	0.9
373.14069	43.6
374.14474	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78474	0.2
52.40705	0.2
52.61959	0.2
53.73156	0.4
59.01187	10.5
59.01509	0.8
59.02379	0.2
59.85300	0.2
64.45289	0.3
66.96518	0.3
91.73370	0.8
92.67810	0.3
93.03305	1.9
97.06410	0.4
99.26173	0.3
100.70213	0.3
109.06410	0.3
119.04818	0.9
125.05902	0.4
136.01465	0.5
148.08801	1.5
150.10326	1.2
151.03828	0.7
163.11110	1.0
165.12743	22.5
166.13043	1.0
175.11163	0.9
176.11838	0.7
177.12666	0.9
179.14240	0.3
189.12785	0.5
191.11995	0.3
191.14282	0.9
192.95651	0.4
217.15945	0.7
226.18121	0.3
229.19441	0.4
244.10806	4.8
245.19055	0.4
247.20651	11.9
273.18613	6.4
291.19672	100.0
292.20053	6.4
313.02377	0.4
313.17877	12.6
314.18240	0.8
329.28525	3.8
355.09753	0.3
373.20013	11.7
373.27158	2.7
374.20435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2386
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
51.57710	1.0
54.38539	1.0
57.03307	6.0
59.01241	7.1
71.01239	18.3
71.04876	2.4
72.02023	8.3
73.02804	21.7
81.03303	2.6
83.04880	5.6
85.02845	1.8
85.11327	1.4
87.04371	100.0
87.06659	1.6
89.02777	1.1
91.60918	1.3
91.73064	3.8
93.06953	2.2
95.04900	1.8
95.41099	1.5
97.06465	3.3
99.04372	2.6
103.10326	1.1
107.08509	1.6
109.06471	2.8
111.08020	1.5
119.04891	4.1
121.02849	2.0
121.10092	4.7
123.08062	2.8
135.08073	3.2
135.11655	6.6
137.09601	2.9
139.07487	10.1
144.24586	1.5
147.11707	1.5
149.13281	3.1
153.09125	3.3
161.13268	4.2
163.14896	1.6
165.09096	2.1
175.14851	18.1
189.16431	16.2
201.73987	1.4
203.14209	1.4
205.12270	1.7
217.23909	1.4
229.19623	7.7
257.22778	8.8
285.22144	7.6
293.22787	7.6
301.25302	2.0
311.23871	12.7
329.24850	10.9
329.28561	24.8
373.23312	1.8
373.27557	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71516	0.5
57.03308	0.9
59.01233	3.4
59.76791	0.7
71.01229	1.7
72.02031	1.4
72.11722	0.7
73.02808	1.5
80.33872	0.7
83.04886	1.0
87.04371	12.6
87.56003	1.5
87.56471	1.1
91.72714	0.8
106.04131	3.1
115.14079	0.7
119.04902	7.3
121.02827	5.2
133.06456	1.4
151.03941	1.4
175.14851	1.6
189.12759	1.3
189.16463	2.2
203.14348	0.9
210.15045	1.0
231.17531	1.2
257.22818	1.2
285.22137	1.3
299.17291	0.9
299.20200	3.4
304.42102	0.8
311.23770	1.0
329.28513	100.0
330.28796	7.8
368.93057	1.0
373.27505	86.0
374.27866	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	373.2749
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01239	5.7
69.24043	0.9
87.56010	1.3
91.73358	1.7
92.02436	1.3
106.04105	3.5
113.90608	1.0
119.04888	8.5
121.02787	4.8
133.06430	2.7
136.01559	1.6
142.89281	1.3
151.03854	2.2
175.11255	1.7
189.12778	2.0
214.21893	1.0
304.62964	1.3
329.28513	85.0
330.28925	6.2
373.27505	100.0
374.27704	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	374.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22340	1.0
51.25960	1.0
57.92236	1.6
59.01244	16.6
61.98703	1.8
63.70863	1.1
67.81303	1.1
71.01242	21.4
71.01588	1.5
72.96407	1.2
101.02319	1.4
106.04108	26.5
106.04776	1.9
106.06500	3.3
108.02072	4.7
113.09643	1.3
120.08103	3.2
122.06021	3.8
128.03412	1.7
130.06496	23.1
132.04495	2.2
133.04828	1.9
134.06073	1.3
138.03125	1.4
146.06035	2.9
148.07571	12.9
152.03412	1.7
152.07065	2.5
153.05521	2.2
153.07443	1.9
160.07568	1.8
169.08315	1.5
172.58041	1.5
194.69467	1.4
196.02550	3.8
212.10757	74.9
213.11177	3.2
215.69881	1.4
217.00354	5.2
224.10902	3.2
226.12415	9.9
236.10934	3.1
254.11873	100.0
255.12094	6.3
266.11838	12.4
284.12955	32.7
296.13077	4.4
314.14035	1.8
342.11829	4.1
369.24875	1.5
374.21854	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
61.98698	0.1
63.34495	0.1
64.01780	0.1
65.01292	0.1
72.67995	0.1
100.07511	0.2
101.05945	1.3
123.07932	0.1
124.07494	0.6
148.05006	0.2
149.07048	0.2
150.71539	0.1
153.05484	0.1
155.94171	0.1
165.10226	0.3
174.99142	0.3
189.10344	0.7
196.76762	0.1
205.12224	0.3
206.12903	0.2
217.00273	0.9
232.10886	11.0
233.11215	0.4
260.10547	0.2
272.17706	0.4
273.16147	0.1
274.15546	0.1
289.17960	1.6
290.18753	2.4
316.16660	2.0
318.18268	0.5
330.28690	0.2
358.21442	1.0
374.24509	100.0
375.24814	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	375.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05331	0.2
53.61119	0.2
56.39091	0.2
59.01240	3.5
60.47678	0.2
61.00288	0.2
68.99673	11.3
71.01249	0.2
75.00719	0.2
80.03088	0.2
80.04912	16.4
81.05265	0.2
92.04901	0.4
104.04282	0.4
104.04916	3.7
106.06460	0.5
107.03649	0.3
108.04427	1.8
110.05971	0.3
116.04945	0.4
120.01080	0.5
120.04419	32.5
121.04763	0.4
121.36301	0.2
122.03621	0.4
122.05989	3.5
124.03905	0.5
128.03435	0.3
131.03531	0.3
132.00517	1.3
132.04428	100.0
132.08817	0.7
133.04758	2.4
134.05971	0.3
138.05472	1.7
144.04350	0.4
148.03920	0.7
150.05495	24.7
151.05829	0.7
153.05438	0.5
162.05508	1.0
168.06564	25.8
168.12746	0.3
169.06870	0.7
174.99176	0.6
179.06989	0.4
198.60789	0.2
213.10289	0.7
217.00266	1.9
223.08640	0.3
237.10381	0.4
238.53963	0.3
239.05283	0.2
243.87842	0.2
255.11467	0.5
261.12482	0.8
265.09866	1.7
283.10852	1.4
289.12000	0.3
295.10886	0.7
296.14783	0.3
309.63846	0.2
313.11960	44.8
314.12338	2.5
331.13022	20.1
332.13361	0.8
375.11890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60313	0.4
52.54475	0.5
57.03308	2.4
58.02833	0.7
59.00970	1.0
59.01239	11.1
62.33028	0.5
67.60974	0.6
71.01241	0.7
72.00780	0.6
74.02328	2.4
79.50265	0.6
82.02840	1.3
84.04398	2.7
86.01831	1.0
86.02332	15.0
88.03880	0.7
90.39542	0.6
96.04453	0.9
102.98466	1.0
113.09586	16.1
120.01116	13.8
122.03579	1.1
127.05014	2.7
127.08646	11.0
128.03406	100.0
129.03738	2.0
140.49376	0.7
152.07066	0.9
153.05438	2.0
153.06595	4.6
159.08397	3.3
164.04700	1.3
166.43404	0.7
171.07655	34.9
174.99074	0.9
179.04524	1.5
179.07094	2.4
191.07092	1.1
197.05675	0.9
213.03416	1.6
215.06653	4.4
217.00262	4.0
231.04401	7.4
249.05498	33.4
250.05807	1.5
375.14868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50866	0.3
59.01224	0.9
60.97359	0.4
74.60281	0.3
74.98928	2.0
75.95114	0.2
78.69073	0.3
78.88361	0.2
78.95757	5.1
80.60970	1.0
80.61472	0.6
92.99987	2.4
96.95840	0.4
96.96817	1.7
100.62724	0.4
110.76592	0.2
124.06032	0.3
140.23468	0.3
146.58632	0.3
149.00813	1.0
153.05467	0.4
159.08360	10.7
161.06277	3.3
168.38914	0.3
179.07101	0.3
184.64789	0.3
192.98073	0.8
209.01233	1.8
210.99034	0.3
217.07199	1.7
221.15555	0.4
225.00668	0.4
261.04446	0.4
275.05981	1.1
277.07501	2.8
289.07443	2.0
290.26486	0.3
291.09109	92.8
291.21426	0.9
292.09244	6.3
293.07074	0.6
293.17728	0.4
304.89911	0.3
306.05896	0.3
309.10071	1.9
330.28809	3.1
331.29202	2.4
357.13989	2.1
358.13647	0.4
359.15378	100.0
360.10989	0.5
360.15552	9.3
374.27783	0.5
375.18451	7.6
375.26361	1.7
376.18765	1.0
377.16412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60008	0.6
59.01243	25.4
59.82452	0.6
65.56951	0.6
71.01263	0.9
75.00736	1.8
75.83450	0.7
98.90546	1.1
119.09617	0.8
121.02784	1.2
122.03611	1.1
153.05463	3.5
179.07036	3.3
191.07082	1.1
195.06442	1.3
227.71259	0.8
235.21754	0.8
277.21747	100.0
278.21954	5.9
329.28439	1.2
330.28909	7.1
331.29175	7.0
360.12216	1.0
374.27762	6.9
375.14581	2.4
375.28366	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00658	1.2
59.00155	1.3
59.01241	68.6
61.33487	1.8
63.12135	1.4
65.23748	1.9
74.29242	1.4
85.25663	1.7
95.04882	30.6
99.77394	1.5
117.83755	1.6
122.03590	2.4
133.17557	1.8
143.06259	1.8
146.03564	1.8
153.05476	4.1
164.22577	1.7
174.99149	8.4
175.03835	1.8
176.04857	1.9
179.07089	5.9
194.92775	2.1
195.13853	10.0
204.57802	1.9
207.06668	1.8
217.00269	29.7
223.13394	7.6
246.12328	14.5
256.13120	2.9
259.04892	2.0
262.00015	1.8
275.20178	6.2
278.11359	80.1
279.11725	4.8
293.21237	100.0
294.21707	2.8
315.19461	19.7
338.12332	11.5
345.10193	1.9
375.14401	2.5
375.21509	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	375.2543
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
57.74121	12.0
59.01240	84.8
61.98718	12.8
62.74216	12.2
63.04689	10.7
71.01250	18.1
72.02045	19.6
73.02824	20.4
79.95596	14.3
86.82819	12.9
87.04363	100.0
91.72832	29.8
91.73335	18.1
121.02890	13.3
143.92566	15.2
144.03624	12.2
146.87601	13.2
153.05461	25.3
153.09178	16.1
177.16487	46.9
191.07237	14.9
231.21129	15.2
287.24039	25.9
293.18201	21.5
306.05789	16.0
313.25537	34.3
317.90497	14.0
331.26575	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	376.1556
Annotation	Ficuseptine B
Peak:m/z	Relative Intensity
59.01254	7.8
59.20835	1.3
60.31167	1.4
61.01613	1.8
74.37412	1.4
93.03281	3.1
103.85262	1.7
106.04115	11.1
106.06449	2.8
107.04865	2.9
108.02039	2.4
118.06453	1.7
119.04869	9.0
120.08008	2.3
125.33304	1.5
146.05988	6.4
149.96683	1.8
163.03929	5.9
172.12495	1.6
178.40955	1.9
183.96881	1.6
212.10818	5.4
217.00198	1.7
224.10847	9.0
226.12349	6.2
229.49994	1.8
246.29996	1.7
270.11398	14.4
285.87711	1.7
288.75485	1.7
332.16531	8.7
376.15567	100.0
377.15845	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	376.1557
Annotation	Ficuseptine B
Peak:m/z	Relative Intensity
51.81831	1.2
59.01242	8.6
60.01545	1.3
62.99958	1.5
66.98958	1.2
71.58192	1.4
96.95889	2.0
106.04105	31.5
106.06483	15.0
107.04884	4.9
108.02040	6.2
118.06477	1.9
119.04081	2.9
119.04892	44.9
138.03107	2.6
143.90068	1.9
179.07100	2.1
179.43494	1.6
212.10745	55.9
218.00664	3.4
224.10764	18.4
226.12297	3.7
332.16559	39.4
333.17120	3.0
376.15561	100.0
377.15854	6.9
391.25146	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52136	2.2
59.01005	3.1
59.01244	26.1
59.01522	3.6
61.93336	2.5
61.98690	3.2
71.01237	33.4
72.99151	11.3
78.95753	7.4
79.46921	2.7
83.01264	3.8
85.02780	4.0
87.00718	6.5
89.02303	37.2
96.95865	15.5
96.96833	6.5
97.78249	2.5
101.02299	12.9
104.92668	3.5
111.00769	5.4
111.74435	2.5
113.02317	13.1
115.00230	36.2
117.01837	3.3
119.03372	10.9
120.01074	2.9
123.04354	4.8
125.02298	5.2
127.00243	3.3
128.03415	6.3
132.02892	3.5
133.01297	81.7
133.04930	3.5
141.01711	3.5
145.01361	3.9
145.96600	3.4
151.80463	3.5
154.99748	4.0
160.03970	2.8
161.04535	3.6
163.07425	3.2
174.31129	3.0
175.02399	3.4
175.07655	3.3
179.05527	16.6
192.10233	12.8
215.03296	17.1
215.62875	3.0
236.09227	14.2
243.96750	10.7
280.08350	4.4
315.90842	2.9
341.10883	100.0
342.11240	4.1
377.08597	65.8
378.08978	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55648	1.3
59.01229	8.8
60.36586	1.4
61.98707	3.5
66.03328	1.5
68.67647	1.5
71.01244	3.9
72.99174	1.9
73.02788	2.0
80.04905	6.8
80.29631	1.7
85.02811	2.1
88.39787	1.4
89.02270	3.4
89.18388	1.4
96.04387	7.8
96.67937	1.7
104.04909	7.8
106.06449	2.6
108.04410	6.5
113.02345	1.7
119.03366	2.0
120.01131	1.5
121.05225	4.9
122.02339	4.8
122.05984	19.7
124.03925	4.5
124.52499	1.8
132.04398	4.9
138.05493	6.3
148.03923	24.3
159.09169	2.0
160.03964	2.6
161.04529	2.5
172.07520	2.7
175.07492	1.7
176.03357	2.2
179.77290	1.6
184.07597	12.4
186.07851	8.4
192.02939	21.8
200.07269	3.3
201.10344	3.2
202.08702	11.5
203.04568	2.0
203.08284	7.5
204.05304	2.6
210.09285	2.7
212.05724	9.7
227.08203	30.6
227.10359	2.1
228.10353	3.3
229.09744	4.6
230.06902	2.7
238.07419	3.7
243.11401	3.0
245.09302	38.7
253.09845	14.9
255.07724	2.7
256.08582	1.8
271.07288	8.9
271.10760	11.7
289.08322	100.0
290.08698	3.6
297.08716	3.5
299.06671	3.6
315.09924	21.6
315.13324	3.0
317.07669	2.6
341.10904	2.9
359.09000	12.6
371.51233	1.7
377.09805	10.7
377.17941	10.0
377.31290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35838	0.7
51.34995	0.3
52.99842	0.9
54.96217	0.4
59.01244	3.1
61.98689	2.0
63.13277	0.3
65.99696	1.8
71.01231	1.0
73.02797	0.4
78.66078	0.3
79.59541	0.4
89.02302	1.0
91.73393	0.4
93.03310	0.4
94.06499	0.8
95.04943	0.4
96.95879	0.5
106.06484	4.5
106.07117	0.7
107.04896	1.1
113.02293	0.5
118.06439	0.9
119.03546	0.8
120.04401	1.1
121.02832	2.1
122.05984	1.0
124.07537	0.7
124.42871	0.4
133.05214	4.7
134.05995	19.1
135.04478	0.6
135.06366	0.5
136.28598	0.4
144.04431	0.5
145.05183	0.6
147.03140	3.5
148.04004	0.5
152.07098	1.0
160.03984	0.7
161.04697	1.0
162.05502	100.0
162.10774	1.1
163.05835	3.4
164.03462	0.6
170.09763	0.4
184.07603	1.7
186.12830	1.0
187.05054	0.8
187.07794	0.4
194.08057	0.4
197.08261	0.7
199.10019	1.0
201.10204	0.6
212.05925	1.2
212.10767	1.5
213.06613	1.5
214.12329	10.1
215.12476	0.5
220.09804	0.6
226.07350	0.5
227.08226	5.5
229.09688	0.8
229.13358	0.5
239.08258	1.3
240.10286	1.3
241.07515	0.5
241.09891	1.3
254.10481	0.5
255.08931	0.9
255.11380	2.6
256.09512	0.7
257.12955	27.4
258.13342	1.3
268.08456	1.1
283.10898	9.4
284.11157	0.9
288.12311	0.8
289.15598	32.6
290.16061	1.9
301.11810	0.9
315.13531	21.8
316.13812	1.7
333.14636	8.4
341.11066	1.5
359.12659	1.1
377.08731	0.9
377.13797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74479	18.3
57.37628	19.1
57.60635	18.8
59.01241	55.8
61.98698	22.6
71.01232	25.6
72.99153	28.9
81.16517	21.9
89.02316	30.8
91.73161	30.8
92.38394	19.1
96.28051	20.5
111.28632	21.1
252.73477	30.7
313.21854	28.3
341.10855	100.0
377.08481	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73288	0.3
54.92421	0.4
59.00182	1.1
59.01241	100.0
59.02460	1.8
60.01577	0.7
63.57555	0.4
66.83283	0.3
67.17094	0.3
67.47286	0.4
71.01243	0.8
71.32285	0.4
72.99166	0.4
78.63325	0.4
93.19991	0.4
169.41544	0.4
179.05518	0.6
251.90343	0.4
299.20212	3.9
319.30737	0.4
341.11066	1.4
377.08743	0.8
389.79697	0.5
391.37869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16211	0.2
62.85252	0.2
65.03815	0.6
67.01748	7.6
78.59622	0.2
82.31838	0.3
84.35601	0.4
91.73200	0.3
106.01266	0.4
106.04104	29.5
106.06500	4.5
107.04408	0.4
108.02027	3.2
109.02813	18.0
118.06491	0.8
118.27139	0.3
121.02823	0.4
127.64268	0.2
127.67498	0.3
138.03087	1.2
146.11060	0.3
147.93747	0.3
157.10580	0.3
184.11259	1.2
212.02617	1.1
212.10753	100.0
213.11104	4.1
224.10768	11.0
225.11134	0.4
281.07620	0.3
290.15518	2.3
346.14551	0.3
378.13406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92959	0.3
52.28788	0.1
55.35017	0.1
59.01255	0.2
60.44734	0.2
61.98686	0.3
65.03828	0.2
74.06284	0.1
82.24210	0.1
91.72731	0.3
92.62195	0.1
92.92665	0.3
93.03308	1.2
106.04109	5.9
106.06489	3.9
107.04929	0.3
107.99088	0.2
108.02031	16.8
109.02831	0.5
111.50801	0.2
121.02823	3.4
122.03595	1.0
123.04378	1.4
131.03648	4.4
132.08067	3.4
133.02840	2.2
133.99402	0.3
134.03612	27.6
135.03993	0.6
147.03195	0.2
148.03931	0.7
149.04727	1.3
158.06030	0.3
170.09637	0.5
178.38824	0.3
180.08142	0.2
184.11246	0.2
189.59985	0.2
194.09685	0.2
198.09206	0.2
210.09235	0.4
212.10757	3.2
218.83667	0.2
220.07706	0.3
221.08418	0.8
222.09206	1.7
224.07007	0.2
228.18254	0.2
236.45752	0.2
238.08838	1.3
238.12343	13.1
239.09491	7.3
239.12611	0.4
240.10260	6.5
241.10579	0.2
253.07324	0.3
298.58170	0.2
328.13358	1.2
340.15536	0.2
341.95425	0.2
346.14505	100.0
347.14816	5.6
359.99030	0.2
378.17148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.5
55.78020	1.3
57.02008	1.1
57.02265	2.1
57.03316	100.0
57.04506	1.7
59.01241	90.9
59.02498	1.5
61.98676	1.0
71.01241	13.9
73.02811	8.8
76.22059	1.1
83.01266	4.7
85.02810	10.1
87.00764	1.7
89.02290	1.9
89.79283	1.2
91.72678	1.5
96.37819	1.3
99.00748	2.4
99.04375	84.9
101.02303	44.3
105.16497	1.2
108.14499	1.4
113.02293	7.8
125.02316	23.6
143.03378	2.5
161.04431	9.6
202.02744	1.5
205.03633	3.0
206.03844	1.9
235.11842	48.0
236.12282	1.9
277.12973	4.8
335.08151	5.3
343.03763	1.8
379.07248	1.9
379.16025	5.9
379.20404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1766
Annotation	Chaparrin
Peak:m/z	Relative Intensity
57.03325	0.6
59.01244	1.9
60.79244	0.3
61.67322	0.4
65.34500	0.3
69.03317	0.9
74.04897	0.4
75.61710	0.4
78.42917	0.4
83.04887	1.9
90.83405	0.4
90.89880	0.4
91.72713	0.8
95.04894	0.7
121.06549	0.5
135.08116	0.5
229.15926	1.1
247.17091	1.4
263.20178	0.6
271.16971	2.3
273.18744	0.7
274.87274	0.5
289.18179	1.5
294.15369	0.5
317.17645	1.0
333.17050	2.4
335.18677	100.0
336.19058	7.1
341.10858	0.8
379.08774	0.6
379.17688	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
59.00074	1.9
59.01243	100.0
59.02592	0.7
60.01573	0.6
62.31579	0.3
63.58099	0.4
67.28861	0.3
69.03336	0.4
71.01241	2.2
81.06518	0.3
95.04903	0.8
97.02798	2.5
99.12941	0.3
104.30798	0.3
108.02024	0.5
109.02821	0.8
113.21042	0.3
116.97134	0.4
122.03579	2.7
123.04410	1.3
135.04370	0.5
147.11678	4.8
148.12108	0.5
161.09676	0.9
177.09157	1.2
188.32416	0.3
189.09212	1.4
189.96930	0.7
203.10722	5.4
205.12280	0.8
231.10266	0.9
283.17026	3.0
284.17380	0.4
301.18088	26.0
302.18463	1.7
380.28308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27706	1.0
55.20028	1.2
58.99921	1.3
59.01242	100.0
59.02416	2.2
61.11922	1.1
61.98703	1.6
79.61032	1.2
88.79947	1.2
96.95907	3.6
110.75853	1.3
134.49246	1.2
175.55072	1.2
182.03046	1.4
183.01050	2.7
196.23685	1.2
243.16167	1.4
297.15262	5.2
345.59698	1.6
348.42142	1.5
396.19589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2853
Annotation	Persin
Peak:m/z	Relative Intensity
55.19499	0.2
59.01226	0.6
61.98688	0.4
70.18343	0.2
73.24743	0.3
85.06464	0.3
99.92437	1.3
115.26247	0.3
115.91930	0.7
116.92718	1.7
199.04083	0.3
261.18637	0.8
279.23276	1.4
281.23846	0.3
307.19043	0.3
335.29556	0.5
347.25931	7.6
348.26071	0.7
349.27380	0.4
374.86551	0.3
379.28549	100.0
380.28891	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	379.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44560	0.1
61.63325	0.1
73.88779	0.1
91.73323	0.3
115.06995	0.1
178.78944	0.1
181.12315	0.2
195.93991	0.2
251.20131	0.2
291.19482	0.3
295.08627	0.4
321.21088	0.2
329.24899	0.4
331.50464	0.2
347.25922	10.2
348.26303	0.8
349.27689	0.2
363.15067	0.5
379.28549	100.0
380.28949	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	380.1564
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
53.85682	0.3
55.66936	1.2
59.00055	0.4
59.01243	15.1
61.98689	1.4
63.99102	0.3
70.99689	0.4
71.01238	26.9
71.02959	0.3
71.04875	7.3
71.05273	0.4
72.01575	0.4
72.19710	0.3
72.99181	0.3
73.02808	1.2
83.01257	1.0
85.02803	2.8
87.00674	0.4
88.03896	3.6
89.02296	9.0
89.02841	0.5
95.01239	0.7
96.95909	0.4
99.00739	0.4
99.03838	0.4
99.04371	2.3
101.02299	7.3
113.02320	3.9
116.03398	0.4
116.07024	1.1
119.03386	2.2
126.09107	0.6
128.07039	2.4
129.05429	0.8
146.08113	53.6
147.08415	0.8
158.88051	0.3
161.04466	1.3
173.08247	0.4
174.11275	0.7
199.39328	0.3
200.09189	1.2
218.10342	0.7
220.26137	0.5
263.11374	0.7
288.10794	0.4
308.13504	6.4
309.13776	0.4
362.14569	1.3
380.15640	100.0
381.16019	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	380.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66966	19.3
59.01235	100.0
68.91685	19.4
70.89133	17.9
73.37382	19.8
74.90048	17.6
82.91248	19.4
114.92958	21.8
217.00264	80.4
239.15552	24.9
314.04852	28.2
319.91418	25.4
341.26254	24.1
355.91846	24.2
377.99564	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	381.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75655	5.6
59.01238	77.3
79.95608	9.5
85.25978	4.7
89.97288	4.9
107.67542	5.2
109.14183	6.1
174.99161	17.7
201.02571	10.6
217.00238	100.0
275.14975	6.2
277.17917	8.9
295.19086	15.5
381.26297	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	381.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68723	2.5
53.04784	3.3
59.01239	50.8
59.01507	3.1
61.98705	5.8
91.73280	3.6
97.02867	3.9
118.23664	3.3
152.32483	3.6
174.99161	22.3
181.17961	3.3
201.02686	3.7
217.00261	100.0
277.18030	4.7
295.19189	8.6
299.72949	4.1
344.62833	3.5
363.25543	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	381.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99199	3.2
59.00967	8.5
59.01242	100.0
61.98690	7.6
80.50110	4.0
123.13209	5.6
141.08495	5.1
166.77626	4.4
174.99220	18.2
217.00230	94.4
217.02222	5.5
288.99820	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
55.66398	0.2
56.08778	0.2
57.03311	0.5
58.00449	0.7
59.01237	0.6
69.03304	0.3
70.30219	0.3
71.00922	0.3
71.01246	2.6
73.02808	17.5
76.15110	0.2
78.08696	0.2
82.28240	0.2
82.64528	0.2
83.04884	0.5
85.02802	0.2
93.03307	0.2
95.04879	0.5
99.04348	0.5
102.05506	0.3
109.06490	0.3
111.04396	0.2
113.05925	0.3
121.06464	0.3
129.55583	0.2
133.06470	0.6
147.08069	0.4
149.09567	0.6
151.07539	0.2
154.38652	0.3
167.10730	0.6
175.11243	0.3
189.12756	0.3
190.82103	0.2
191.10666	0.6
193.12285	0.4
201.12657	0.3
207.13864	0.7
211.11247	0.6
215.14340	0.3
217.15927	0.5
219.13902	0.4
225.12811	1.0
227.14349	1.9
228.11540	0.6
229.12372	0.3
229.15987	2.0
230.96262	0.3
233.11807	0.6
233.15564	0.4
239.14398	0.3
243.13904	1.2
245.15445	4.8
246.15799	0.3
247.16940	1.0
253.15999	2.1
261.15082	0.4
261.18689	0.4
263.16528	0.6
265.16022	0.6
271.17044	0.7
283.17047	1.7
289.18097	0.3
299.16458	0.3
301.18146	2.7
303.42929	0.2
319.19135	5.3
320.19513	0.4
335.18747	0.6
353.19699	0.6
381.19223	100.0
382.19543	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	381.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64645	0.5
59.01244	4.1
62.13891	0.5
64.40618	0.6
69.66371	0.7
74.26385	0.6
77.32164	0.6
166.72040	0.8
215.07803	0.8
217.00345	3.2
217.02258	0.8
299.20181	100.0
300.20316	5.3
351.26974	0.7
381.20474	21.3
382.20721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23201	1.2
51.62801	1.2
52.73591	1.2
57.03306	1.8
59.00970	2.3
59.01244	30.8
71.01230	3.1
73.44762	1.3
87.04366	3.0
89.01331	1.3
97.06470	3.2
99.56537	1.4
109.06439	2.5
112.27167	1.4
113.09610	1.6
123.08009	1.8
125.05971	5.5
126.06728	5.8
126.90349	3.9
133.51070	1.7
141.09122	2.4
165.12752	5.3
174.99112	10.7
200.94530	2.4
217.00250	35.1
247.20660	2.0
256.22348	1.9
265.21771	1.8
267.13379	1.9
267.16031	5.3
268.16830	26.0
275.20236	3.4
291.19775	3.7
301.21823	3.8
309.20789	4.0
319.22791	30.4
326.60434	1.7
337.23889	100.0
338.24387	3.8
359.34818	2.1
381.22849	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	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96669	1.7
54.92676	2.1
57.03306	7.0
57.11187	2.0
59.01243	38.5
71.01237	2.2
72.02032	3.5
73.02772	3.3
85.06427	2.2
87.04372	11.8
96.22939	2.1
97.06458	5.2
109.06451	2.9
111.08013	100.0
139.11177	3.6
153.12807	5.8
167.14345	6.5
174.99110	11.8
181.12248	11.6
183.13843	2.7
195.13878	9.6
197.11794	9.2
197.15463	8.4
206.47116	2.5
207.13870	3.3
209.15446	3.8
211.16917	3.4
217.00270	53.4
225.14909	43.3
239.16446	15.9
263.20175	5.3
274.36844	2.5
293.21121	3.2
309.20728	3.4
319.22693	19.0
319.58267	3.1
381.22964	8.3
393.14871	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83482	2.2
58.26899	2.2
59.00965	4.9
59.01242	64.9
69.03308	4.3
72.02020	3.8
73.02811	3.8
79.16480	2.4
81.89293	2.9
87.04375	12.5
91.95213	3.0
99.08029	3.5
105.51784	2.7
119.94525	2.8
128.10355	2.8
174.99147	19.6
207.17542	6.0
217.00244	75.1
217.02263	5.4
235.17024	13.5
251.20287	7.3
261.18677	14.9
279.19656	100.0
280.19846	5.3
337.23755	3.5
381.22882	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	381.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72267	0.5
58.49233	0.4
59.01231	0.8
74.78565	0.5
76.91748	0.4
79.95593	10.4
79.96034	0.8
80.96384	0.8
85.03531	0.5
90.33193	0.5
94.97948	1.1
95.95114	2.5
96.95875	77.7
96.98358	1.0
99.04749	0.5
116.19650	0.5
119.58912	0.5
122.97449	4.1
126.87984	0.9
172.71571	0.6
239.07480	1.0
253.09131	1.4
258.49692	0.6
283.26395	1.0
381.23209	100.0
382.23486	4.6
394.59543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	69.9
62.53653	11.4
64.76109	12.1
76.91947	12.8
174.99161	24.7
187.15559	14.2
217.00244	100.0
253.84053	14.6
255.91801	16.8
299.20291	18.4
304.03616	15.9
387.36609	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	381.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20903	3.1
56.80393	3.2
59.01241	100.0
74.79218	4.2
121.69860	4.4
130.53484	5.4
141.81856	4.6
174.99167	8.2
217.00258	32.1
299.20245	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	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31749	0.4
51.74367	0.4
54.72132	0.4
58.02828	1.4
59.01242	4.6
59.90995	0.4
63.96078	0.5
71.04871	0.6
79.95591	1.0
97.06442	0.4
105.18375	0.5
109.02842	0.4
131.59604	0.5
138.01778	0.4
138.06735	0.5
151.11148	1.2
153.02827	0.5
153.12735	4.1
163.11179	1.9
165.12784	5.3
170.05748	2.5
174.99202	1.0
179.10690	11.5
181.12257	35.1
182.12585	1.5
191.19481	0.5
195.10190	2.7
197.11751	2.0
199.13330	100.0
200.11923	0.5
200.13620	3.5
215.12823	3.9
217.00247	4.6
219.96523	0.7
299.25858	1.2
345.24353	0.5
363.25522	5.5
364.25684	0.7
381.21667	0.8
381.26434	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46307	0.3
56.53097	0.4
59.01237	4.8
71.49208	1.5
71.49603	1.0
71.75566	0.4
75.89214	0.5
76.21655	0.5
87.57947	0.5
101.05983	0.6
104.73122	0.5
108.63577	0.6
109.06442	0.9
128.55438	0.5
137.05920	0.7
138.06760	1.0
139.07501	0.6
149.05960	0.8
151.07558	2.3
162.31609	0.4
170.05737	4.2
174.99173	1.6
179.14304	1.0
186.64194	0.5
192.11577	1.2
199.13326	1.2
217.00258	6.5
233.19072	1.7
235.20651	1.0
251.20187	3.4
258.20419	0.4
260.52252	0.5
260.76120	0.5
261.18640	0.7
271.59113	0.4
277.18097	84.1
278.18451	4.5
279.19659	24.2
280.19992	0.9
295.19150	100.0
296.19550	6.0
299.59116	0.6
311.03961	0.5
331.22659	0.9
349.23865	1.3
363.25421	15.2
381.21774	0.7
381.26382	4.8
382.27377	0.5
393.88885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36530	0.8
51.36736	0.3
57.03310	0.6
58.00462	0.4
58.02835	1.0
59.00964	0.6
59.01244	7.4
59.37861	0.3
59.89870	0.4
60.17082	0.4
61.98679	1.1
63.38847	0.3
65.03831	0.3
68.04338	0.3
69.03310	1.3
71.01237	1.9
74.02325	1.9
77.31948	0.3
80.68946	0.3
82.02830	0.5
83.04874	0.8
84.04405	6.2
85.02798	0.9
89.02289	0.5
93.03310	0.3
95.04886	0.8
96.95876	3.0
97.06449	1.6
100.03901	0.7
100.07538	2.9
101.02278	0.3
101.38843	0.4
102.02775	0.8
102.05468	57.3
102.08466	0.6
103.05827	0.6
105.41367	0.4
106.26697	0.3
109.06454	0.6
111.08030	4.1
113.02297	0.7
116.66817	0.3
119.03454	0.3
120.01112	0.6
121.06482	0.8
123.04355	0.4
125.05975	0.4
127.07559	0.6
127.99593	1.3
128.03409	100.0
129.03709	1.1
135.08017	0.6
136.07552	0.6
137.05954	0.9
137.09618	0.5
139.07533	1.2
141.05466	8.8
143.06995	1.0
146.04480	14.2
155.07042	2.2
156.06528	0.7
173.13310	1.0
191.14351	1.2
200.17567	0.4
208.84752	0.4
226.10832	2.8
235.13391	2.3
253.14455	10.9
254.14801	0.6
271.15405	0.8
278.93686	0.4
323.09589	0.6
338.19730	1.3
360.26846	0.4
364.17679	9.6
364.22342	0.5
365.18057	0.6
382.18747	58.4
383.19022	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	382.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	27.4
59.38796	2.8
60.37617	3.3
70.44876	3.8
71.01228	5.8
71.38810	2.7
71.42367	2.6
72.71928	3.0
75.56503	3.5
76.67557	3.1
77.65087	3.3
77.89961	2.7
80.11772	2.9
84.04409	6.6
87.00753	3.5
89.02301	8.6
97.06444	9.3
101.02308	5.7
102.05467	66.2
109.06509	3.6
109.62720	3.4
113.02296	6.3
128.03413	100.0
136.73051	3.5
143.03387	3.8
146.04488	26.6
155.10666	3.4
161.04520	3.6
163.71666	4.4
169.96741	3.6
191.14404	10.3
209.15480	4.7
218.00601	4.4
223.01871	4.1
235.13297	6.4
237.16418	4.1
253.14374	28.7
323.09775	10.1
338.19812	5.6
364.17816	8.6
382.18750	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60341	1.2
54.50848	1.0
57.03302	1.5
59.01239	12.2
64.72663	1.2
71.01241	4.0
84.04394	4.4
85.02819	1.7
89.02290	1.6
96.95869	4.5
100.07616	1.9
101.49632	1.3
102.05473	38.3
111.08029	3.9
113.02287	2.9
122.51219	1.2
128.03406	100.0
129.03719	1.5
141.05449	5.7
146.04475	10.7
153.90051	1.3
155.07010	1.7
161.04503	1.5
253.14522	7.0
301.33463	1.5
338.41095	1.5
364.17664	7.1
382.18768	36.5
383.18991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66707	0.4
53.91548	0.4
57.03313	0.4
59.01237	4.6
61.98707	0.7
62.61586	0.4
63.90740	0.5
64.40056	0.4
71.01237	1.1
71.04883	0.7
73.45345	0.5
81.03300	0.5
83.04861	2.2
101.02280	0.7
106.04097	0.6
111.08018	2.0
112.08350	0.9
113.02351	0.7
121.02847	0.5
126.86629	1.3
126.90377	100.0
139.11156	0.9
150.03113	13.7
153.09116	0.6
165.01848	1.0
165.90695	0.5
182.02127	14.5
183.13745	0.7
211.07567	2.5
213.67854	0.5
226.15349	0.7
255.06602	3.8
255.15990	1.5
256.07404	16.3
256.09961	1.1
316.64862	0.5
320.23206	0.8
321.24127	0.7
323.09763	1.5
323.13309	0.6
339.25397	8.0
382.97937	6.4
383.24719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03320	0.6
58.00443	1.2
59.00109	1.0
59.01242	70.2
59.02474	0.9
65.28435	0.6
66.60442	0.6
70.60248	0.6
70.99738	0.9
71.01239	65.6
72.00763	7.4
72.99167	1.8
73.02816	1.9
74.02331	13.9
78.95770	0.8
83.01234	2.2
85.02809	6.0
87.00723	1.7
89.02297	100.0
95.01249	1.7
96.24776	0.8
96.95884	0.7
101.02303	23.6
113.02309	18.8
116.04925	37.9
119.03364	15.9
130.06537	0.9
131.03349	4.9
142.06508	11.4
143.03375	5.9
149.04477	3.8
159.09166	7.2
161.04453	7.1
179.05534	21.6
186.05528	1.5
203.08195	88.4
204.08572	2.3
266.79987	0.8
277.74243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64806	3.5
59.00966	6.2
59.01244	100.0
71.01241	15.9
73.02781	4.0
74.02248	4.0
77.27460	4.3
78.48390	3.7
83.01199	3.5
85.02811	7.1
89.02298	15.7
89.91630	3.6
90.67955	4.1
90.91538	4.1
91.06350	3.8
101.02312	15.2
113.02312	16.4
119.03400	5.9
161.04478	9.3
179.84322	4.9
235.79607	4.4
290.20648	5.2
294.25479	4.7
323.09845	16.8
341.10889	13.2
383.28192	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	383.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22775	28.5
54.42643	36.1
59.01235	100.0
68.14704	28.7
69.90090	26.3
75.12428	32.2
78.42323	30.3
79.06588	36.3
79.47963	31.3
99.33897	33.3
101.31019	39.2
119.60556	34.2
121.36283	35.3
156.28183	40.0
158.95944	45.0
184.36263	43.4
322.69424	38.1
327.81085	42.0
400.35904	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71155	4.3
54.27974	6.5
57.19934	4.4
58.68000	4.6
59.01240	100.0
59.43665	4.7
60.59230	4.2
61.98685	13.8
62.60074	5.8
63.54425	5.0
64.97684	4.6
66.53949	4.3
66.54673	4.5
70.07353	5.1
71.01247	14.3
73.02807	7.9
78.51279	4.8
87.04375	30.9
89.02312	7.8
101.02303	8.9
110.99272	5.2
113.02357	11.2
126.63421	5.7
149.13242	20.5
163.14766	10.0
183.01138	20.8
203.17972	7.0
259.20517	8.0
285.22144	14.6
286.68616	7.0
303.23184	19.7
309.17535	12.8
323.09839	18.1
325.18408	56.5
347.22046	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	383.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37634	0.6
59.01243	10.8
59.01521	1.2
59.97327	0.7
61.98669	0.7
71.01246	3.6
73.02809	2.1
79.93112	0.8
79.93587	0.7
79.95595	29.5
80.96362	4.2
82.81287	0.6
85.02797	1.4
89.02296	2.7
94.97943	49.6
95.00287	0.7
96.95886	1.5
101.02319	1.7
102.05462	6.8
109.06444	1.0
113.02311	2.7
115.98075	0.7
127.07483	0.9
128.03427	6.3
146.04544	1.4
161.04430	1.0
166.03261	0.9
254.14629	1.0
255.16086	3.7
304.39014	0.8
323.09726	3.8
326.18607	0.8
339.09909	3.3
341.10727	1.6
344.08902	1.0
365.20029	4.6
366.19138	1.0
383.21133	100.0
384.20895	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96936	3.0
59.01242	50.0
59.01514	4.5
62.41840	3.3
71.01247	6.8
73.63099	3.6
83.98757	3.3
101.18519	3.4
110.57708	3.5
113.02361	6.1
115.67051	3.3
117.59146	3.6
122.71173	3.3
161.04442	4.1
216.38586	4.0
257.22852	20.0
262.47580	3.8
301.21756	100.0
301.24985	6.2
323.09906	11.9
325.18619	5.6
332.64389	4.7
341.11316	4.5
383.22205	23.7
383.31747	6.4
404.65543	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80197	0.1
56.68287	0.1
58.99905	1.0
59.01242	100.0
59.02418	1.9
60.01577	0.6
71.01258	0.2
75.45498	0.1
88.06844	0.1
94.06016	0.2
113.02332	0.2
305.70746	0.2
323.09863	0.3
347.25882	1.4
365.27136	0.3
383.28009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86808	0.2
54.91791	0.2
58.19600	0.2
58.50990	0.2
58.99948	1.4
59.01241	100.0
59.02423	1.7
60.01586	0.5
67.19975	0.2
92.09325	0.2
99.21620	0.3
115.35745	0.2
131.47766	0.2
206.62071	0.3
247.48862	0.3
297.37164	0.3
303.70721	0.3
323.10086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58588	1.4
56.77166	1.5
57.03313	1.8
58.00461	42.9
59.01247	15.1
61.98695	3.0
67.17493	1.8
69.03302	3.9
71.01231	5.9
72.02012	6.0
73.02805	8.2
80.87289	1.7
83.04854	2.1
84.02023	3.7
87.04375	15.9
88.03896	4.4
89.02306	2.4
97.06445	5.3
98.87735	1.8
99.08035	2.1
99.72388	1.8
101.02317	1.9
109.06473	13.0
111.08020	2.2
119.03459	1.9
126.90344	9.6
127.07520	60.6
131.35609	1.6
149.13188	3.9
167.14297	12.7
169.15883	5.6
177.67690	1.8
181.15892	6.5
183.13876	9.3
195.13873	3.9
196.79114	1.7
197.15393	13.7
209.15408	2.4
211.16988	59.3
213.14871	2.3
223.17020	7.5
239.16486	12.6
241.18005	13.6
249.22235	2.4
251.16461	14.0
252.17221	4.0
269.17581	35.6
277.21915	8.9
284.16345	5.9
293.24765	2.5
301.20148	2.4
303.23254	11.4
309.20776	4.0
311.22418	7.0
321.24368	100.0
322.24753	6.4
323.09924	4.1
339.25436	27.0
383.15295	4.4
383.19992	3.5
383.24374	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	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39803	0.9
55.01744	1.1
55.78033	0.8
57.03315	2.3
59.01244	11.5
59.31227	0.7
60.52952	0.7
61.01673	0.9
61.98668	0.6
62.84735	0.6
62.85101	0.8
65.99995	0.7
67.72947	0.7
71.01242	2.3
71.04888	7.6
72.02034	1.9
73.02816	1.8
81.03329	2.9
83.04876	20.1
84.02020	1.4
87.00712	1.1
87.04384	1.0
89.02277	1.4
95.04885	0.9
97.06451	2.0
101.02305	0.8
109.06446	1.6
109.28885	0.8
110.80448	0.9
111.08038	4.1
113.02345	1.7
114.56990	0.8
119.46771	0.9
123.08026	1.6
125.09609	1.1
126.90389	1.8
127.11162	1.9
127.72797	1.1
137.09601	0.9
139.11176	7.6
153.09096	6.6
155.10712	5.9
155.14259	1.9
163.11182	1.3
165.12743	2.3
167.14368	2.4
169.12234	1.3
183.13864	2.8
193.12256	4.0
199.13362	1.6
207.13828	1.5
209.15446	3.2
211.16971	1.8
213.14856	1.4
227.16547	3.2
237.14958	7.2
255.16052	12.3
256.16684	0.9
271.19122	1.8
275.20096	1.2
277.21756	3.7
295.22766	5.6
309.20749	1.1
311.22226	7.1
319.22882	1.9
321.24344	10.9
323.09879	2.4
339.25418	100.0
340.25684	5.7
351.22058	1.6
383.24158	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	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31388	0.9
54.33744	0.9
56.67728	0.8
59.01240	12.1
60.40810	0.9
67.53738	0.8
71.01225	2.5
73.02808	0.9
77.38039	0.8
87.04401	1.0
89.02305	3.0
91.03851	2.3
94.24545	0.9
97.06430	1.7
111.08032	1.4
113.09600	1.9
115.07513	1.1
119.03408	1.2
135.18344	1.0
141.09094	1.2
155.10497	1.2
161.04431	1.8
165.12701	1.8
167.14323	2.7
181.12274	3.9
190.17879	1.1
195.13872	3.1
210.06395	1.1
211.13382	2.2
221.15390	3.2
230.60828	1.0
239.16437	1.9
240.13652	1.4
247.20699	3.1
273.18628	2.2
281.21326	1.9
291.19681	36.3
292.20102	2.0
309.20743	100.0
310.21048	4.7
314.17349	1.3
323.09885	2.2
325.20050	1.5
383.24310	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	383.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64478	0.5
54.49315	0.4
57.03308	0.5
58.99993	1.7
59.01243	100.0
59.02346	1.6
61.98708	0.5
63.14956	0.8
63.15323	0.6
71.01244	0.8
75.33456	0.5
89.02339	0.8
90.60180	0.6
93.77925	0.6
101.02267	0.7
113.02336	1.2
166.68645	0.6
216.63622	0.7
309.20728	0.9
323.09915	1.1
339.24725	1.3
345.13226	1.1
361.12756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73797	0.4
59.00056	1.9
59.01243	100.0
59.02546	1.4
60.01599	0.6
61.98690	0.5
66.48815	0.4
71.01246	0.4
79.96579	0.4
85.02810	0.5
89.02305	0.4
90.98450	12.3
90.99004	0.8
91.99686	0.4
116.33067	0.4
121.02823	2.3
128.43835	0.4
170.90231	0.4
181.06497	0.5
214.72226	0.4
234.08931	0.7
235.09209	0.6
237.08771	0.5
309.21045	0.6
313.07224	0.6
314.86658	0.4
323.09900	1.1
323.25977	1.2
337.14105	1.5
339.25504	1.1
383.09845	0.8
383.14539	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	384.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53543	0.4
78.93710	1.0
78.95761	100.0
78.97593	1.8
85.02835	0.5
96.94098	0.5
96.96820	47.9
96.99239	0.8
119.23833	0.3
121.64132	0.3
129.01854	0.5
138.97885	1.0
179.23933	0.2
190.26016	0.3
199.00024	0.3
200.71802	0.3
203.52837	0.3
214.93097	0.3
221.99934	5.8
259.02252	27.9
260.02707	0.3
264.28922	0.5
384.05273	34.6
385.05569	1.5
393.59201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46430	0.9
53.79081	0.3
54.58028	0.2
57.03315	2.4
58.02845	1.6
59.00963	0.4
59.01241	3.7
60.29631	0.4
61.98703	0.5
62.48978	0.3
65.03806	0.3
69.03305	0.7
71.01243	0.8
74.02339	1.9
78.80724	0.4
81.04667	0.3
82.02836	0.5
83.04881	0.9
84.04404	6.5
85.02790	0.6
93.03319	0.5
95.04897	0.6
96.00735	0.4
97.06455	1.0
99.08016	1.7
100.03898	0.4
100.07536	4.0
102.02703	1.0
102.05469	63.2
103.05801	0.7
106.04107	0.4
109.06450	1.0
111.04360	0.4
111.08015	7.5
113.09591	1.6
120.50034	0.3
125.05962	0.5
127.07510	0.7
127.99536	1.2
128.03409	100.0
129.03758	1.6
129.09067	1.9
134.96861	0.3
136.07578	0.9
137.05960	1.3
139.11186	1.3
143.07045	0.5
145.99763	0.3
146.04480	14.8
155.07040	4.6
175.14845	3.5
193.15935	2.1
211.16949	0.6
218.15376	0.6
226.10669	0.4
237.14980	0.5
255.16023	15.1
256.16254	0.4
273.17151	0.4
316.18723	0.4
328.56241	0.4
340.21362	3.0
358.23743	0.4
366.19247	12.1
367.19666	0.7
379.42603	0.3
384.20313	68.4
385.20709	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	384.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50738	1.1
55.08332	1.2
58.00457	3.5
59.01246	6.0
59.01486	0.9
60.61033	1.0
61.98686	1.4
69.03290	1.3
70.87859	1.2
71.01247	1.5
73.02808	3.5
76.73303	1.2
79.95567	1.0
84.04418	6.4
85.02820	2.5
93.60616	1.1
97.41314	1.1
99.07987	2.4
100.07542	3.7
102.05465	71.8
106.04103	3.0
106.06459	1.2
109.06427	2.2
111.08035	1.5
123.08039	2.1
127.07528	11.1
128.03410	79.2
137.58974	1.1
141.09053	2.2
146.04457	17.6
146.05959	3.2
156.96115	1.6
173.10689	1.4
212.10777	3.8
212.12802	2.1
222.45450	1.2
237.15086	2.8
238.08807	1.4
255.16014	49.5
323.13504	1.5
324.08810	2.2
340.21417	9.1
366.19333	15.3
384.20331	100.0
384.83984	1.3
385.14169	3.3
385.20905	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	385.1409
Annotation	GS-1
Peak:m/z	Relative Intensity
54.56186	0.4
58.02834	1.5
59.01234	2.0
61.98678	1.5
65.29032	0.5
66.02849	0.4
66.03318	0.5
67.54333	0.4
69.73422	0.4
75.94252	0.4
79.01797	0.4
82.02844	5.2
84.04371	0.5
85.02821	0.5
88.02449	0.5
90.53506	0.5
91.55921	0.4
93.03316	1.7
94.03853	0.5
102.05455	0.9
106.03524	0.5
106.04105	28.8
106.06484	41.0
107.06811	0.6
108.02042	5.5
110.02332	1.2
118.06477	1.4
119.04933	1.2
120.08064	1.0
128.03401	10.2
132.04430	0.7
132.08127	0.9
138.03062	2.3
139.47273	0.5
146.06001	18.1
146.09660	0.6
147.06169	0.6
158.06015	8.2
173.10747	16.6
174.09155	18.7
174.10782	0.9
205.09793	0.6
210.09209	1.2
212.10759	20.9
213.11121	1.2
217.09787	3.5
218.08168	1.1
238.12254	1.2
252.10318	9.0
252.13802	1.2
256.09781	17.6
257.10065	0.6
264.10358	1.1
270.11362	1.4
278.11877	1.7
279.11978	0.8
279.15033	13.4
280.13409	21.6
281.13837	1.3
297.16043	5.1
298.16577	0.5
305.13037	1.4
323.14020	34.8
324.12463	3.3
341.15079	36.2
342.15555	2.4
367.13065	1.4
368.11453	2.7
384.20596	1.3
385.14081	100.0
386.14429	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	385.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	51.8
61.61674	12.8
63.02832	13.6
71.01278	16.2
75.33961	17.5
95.00288	14.9
107.91598	18.1
122.49664	19.0
183.01137	49.8
266.55255	23.3
280.48502	18.1
308.01419	22.9
311.10199	20.6
311.16867	100.0
367.83813	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	385.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19638	0.3
59.00080	0.5
59.01243	25.2
59.02503	0.4
67.21539	0.3
77.75761	0.4
83.04849	0.5
92.01344	0.4
99.24029	0.4
125.25441	0.4
127.70619	0.4
154.54158	0.4
172.58646	0.5
188.94856	0.6
194.68681	0.4
204.26361	0.4
205.19513	1.9
220.43462	0.4
231.21097	0.8
236.26070	0.4
259.24335	7.0
279.82233	0.4
303.23306	100.0
304.23633	6.1
385.23654	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	386.1248
Annotation	periglaucine C
Peak:m/z	Relative Intensity
53.02090	0.6
57.41810	0.6
59.00982	0.6
59.01241	7.6
60.94818	0.5
71.01245	9.0
78.75178	0.7
84.04391	0.9
85.02805	7.2
88.27135	1.4
88.27611	0.9
91.16808	0.6
91.72718	0.7
93.03314	2.5
101.02297	3.6
106.04105	43.9
106.06491	1.3
106.07143	0.8
107.04432	1.1
108.01411	0.8
108.02038	8.0
109.93900	0.6
118.06457	1.4
119.04868	2.0
129.00931	1.1
129.01810	13.2
132.07985	0.7
138.03081	3.2
145.05127	0.7
146.06003	18.8
146.09618	2.0
148.11217	5.9
156.08060	0.9
158.06003	9.9
160.07538	1.2
174.09146	38.5
175.09479	1.4
180.14777	0.7
200.07059	4.0
212.10741	7.8
218.08154	3.0
238.12288	1.2
252.10307	3.8
252.13895	3.7
254.15536	9.8
256.09821	5.6
259.84543	0.8
262.12360	1.8
270.11307	0.8
278.21423	0.7
280.13449	50.9
281.13773	2.0
286.04391	1.5
298.14493	21.4
299.14725	1.9
306.11371	0.7
324.12424	94.0
325.12698	6.3
342.13480	20.4
343.13763	1.3
368.11411	51.2
369.11691	3.0
386.12482	100.0
387.12891	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	386.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
59.01228	3.9
60.58363	1.1
62.25743	1.0
74.91698	1.1
82.02848	1.3
84.04398	5.5
84.12954	1.1
85.02788	1.1
97.45216	1.2
102.05470	57.3
103.05850	1.2
128.03407	59.9
130.11221	1.4
146.04475	10.3
181.15889	3.0
196.03627	1.3
197.19041	2.2
222.18556	1.8
230.39447	1.4
246.51308	1.2
257.21228	36.6
257.23837	2.3
282.24435	6.7
342.26599	10.3
368.24619	6.8
386.25555	100.0
387.25607	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	387.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05176	0.9
52.81530	0.6
58.02844	9.8
59.01230	1.7
61.27156	0.6
62.16034	0.7
70.02838	33.1
70.04215	0.7
80.50886	0.8
87.35455	0.7
93.03329	1.0
96.00768	24.3
106.06471	3.1
108.02048	0.7
114.01833	88.3
115.02103	0.7
121.02813	5.0
122.03602	88.3
123.03919	2.5
124.01554	4.3
130.56720	0.8
136.01492	0.9
136.21280	0.8
137.02316	7.8
144.04424	2.9
145.05241	4.1
150.05511	2.2
154.02628	9.4
158.05968	1.4
159.21159	0.8
160.07564	8.0
203.08191	9.1
228.10258	85.6
229.10651	4.6
240.10278	13.2
254.11919	1.3
254.76942	0.9
264.10150	1.1
266.08215	1.2
271.96762	0.9
272.09302	86.1
273.09702	4.0
282.11404	2.5
283.10806	0.9
284.09219	2.7
285.04047	1.9
308.09201	1.7
325.08301	1.7
325.11935	15.8
325.15817	1.0
343.13010	7.3
369.11057	1.5
387.11993	100.0
388.12360	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	387.1565
Annotation	GS-3
Peak:m/z	Relative Intensity
51.34579	1.5
52.86532	1.6
54.14460	1.5
59.01255	11.1
69.52708	1.4
74.60869	1.5
103.01908	2.2
103.04221	1.8
106.06477	5.1
115.36376	1.7
122.05984	3.9
128.03371	2.4
130.02841	2.4
131.03610	6.2
132.04396	10.7
134.05988	43.8
146.06010	3.7
148.03917	4.5
152.07066	100.0
158.02373	13.4
160.03987	2.0
162.05522	8.3
171.45940	2.2
176.03395	3.4
180.41476	2.0
190.05028	48.7
222.07678	49.2
222.98718	1.8
251.62959	2.1
329.95731	1.9
341.10980	2.2
343.24954	2.2
350.40195	2.1
355.13120	3.2
387.10709	4.1
387.15652	67.2
387.23752	5.0
388.15839	4.4
410.20795	2.1
413.06168	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42580	16.1
51.38120	18.6
56.71749	18.8
59.01233	100.0
61.98690	24.7
64.61224	19.8
108.59035	20.6
122.21014	23.2
127.19823	22.1
141.01598	39.8
144.15311	25.7
229.24530	22.1
232.98302	30.4
242.33101	23.1
255.66156	23.0
255.68686	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37243	3.2
54.88792	2.7
56.96863	2.8
59.01242	50.4
65.07363	3.1
71.01270	4.8
72.02036	6.2
77.24618	3.2
87.04350	19.7
101.33833	3.6
105.29990	3.5
141.01645	8.3
155.14290	4.5
158.16486	3.3
160.90170	3.5
187.08481	3.4
263.23953	9.5
289.25568	6.1
307.26422	100.0
308.26852	10.2
351.25467	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	387.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39161	0.8
59.01243	100.0
59.02450	2.1
65.77393	0.8
119.72498	1.1
141.01599	3.2
156.54572	1.0
184.01584	1.5
255.23373	1.4
387.18576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66522	0.3
59.01248	3.3
61.98685	1.5
70.62582	0.3
70.81139	0.4
71.96687	0.4
77.26788	0.4
78.95750	1.2
79.95579	1.8
81.03317	1.0
83.04875	1.5
96.93320	1.5
96.95869	100.0
96.96864	3.8
98.95448	0.7
101.59465	0.4
101.74844	0.4
106.59404	0.4
107.04864	0.4
124.75809	0.5
125.05941	1.9
139.62816	0.4
162.05585	1.1
169.04976	0.6
202.65692	0.4
241.03935	0.6
254.04274	0.5
273.07513	0.9
285.04486	0.7
301.03986	0.8
304.90805	0.5
319.04843	0.7
327.05481	0.9
340.75998	0.4
345.06592	1.2
389.05511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	19.8
60.01412	1.4
60.25784	1.4
61.98692	2.2
70.27934	1.3
71.01235	3.9
72.99184	2.0
73.02794	1.5
75.00741	2.9
75.77645	1.9
77.60570	1.6
78.52866	1.6
80.04917	6.5
80.11044	1.5
85.77805	1.6
89.02289	2.0
101.02335	2.2
103.04160	1.8
104.04919	19.6
108.04417	59.3
110.05964	5.5
120.04379	10.0
121.02802	3.2
122.05990	2.1
124.03940	2.3
128.03392	3.2
132.04428	80.3
138.05490	100.0
139.05818	2.3
146.04436	2.2
148.03941	18.6
149.04243	2.0
150.05504	7.9
168.06563	95.4
169.06860	2.0
176.03444	29.1
188.03258	1.8
208.06085	30.8
208.07875	2.9
229.09735	2.3
237.10262	2.0
255.11354	2.3
257.12930	2.6
265.09860	3.0
283.10907	3.3
289.12036	5.4
301.11945	4.3
309.08887	2.5
313.11966	18.8
327.09875	5.7
329.11490	2.8
339.09625	2.6
341.11035	2.5
345.10757	3.9
357.10974	90.9
358.11334	5.0
371.12527	7.2
389.13818	38.6
389.18179	4.9
389.22086	3.4
390.21597	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06254	0.4
55.44368	0.3
59.01239	1.4
67.44804	0.2
68.99667	0.5
70.41422	0.2
80.04911	3.0
89.02306	0.4
92.04907	0.5
96.04442	0.3
96.89732	0.3
99.00774	0.4
103.04132	0.5
104.04919	12.7
108.04412	13.6
110.05952	1.6
113.02333	0.3
113.29156	0.3
116.05003	0.4
116.72488	0.3
120.00680	1.0
120.04417	100.0
120.07669	1.1
121.02816	0.7
121.04749	1.6
122.05980	1.7
132.00137	0.9
132.04427	87.9
132.08189	1.0
133.04765	2.5
138.05486	11.9
139.05835	0.3
144.04411	0.7
146.06061	0.3
148.03926	13.1
150.05495	20.6
158.02347	0.6
160.03944	1.3
164.07059	0.8
168.00459	0.6
168.06563	46.0
169.06944	1.0
176.03438	19.4
177.03838	0.7
188.03444	2.1
189.04196	0.4
190.05016	1.0
202.56168	0.4
204.32069	0.3
208.06102	12.4
209.04553	0.5
209.06427	0.5
220.06172	0.4
220.82721	0.4
225.91664	0.4
237.10326	2.0
255.11479	1.0
265.09827	4.0
267.11365	0.8
277.09824	0.4
281.09357	1.1
283.10901	3.1
285.12469	0.6
289.11938	5.4
295.10944	1.3
299.10367	0.9
309.08728	1.5
311.10266	0.8
313.11966	26.6
314.12265	1.2
327.09879	4.4
329.11472	1.3
339.09875	0.9
341.11270	2.2
357.10950	94.3
357.67566	0.3
358.11243	5.2
371.12466	0.5
388.91739	0.4
389.13565	30.0
390.13849	2.2
390.18088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62022	0.3
51.06245	0.8
59.01239	1.7
63.61544	0.5
71.01226	0.6
80.04922	1.9
90.15933	0.4
92.04913	0.8
96.89710	0.4
103.04169	0.4
104.04918	11.1
108.03676	0.6
108.04412	10.6
110.05965	1.7
120.04417	77.2
120.07808	0.9
121.02826	4.9
121.04759	1.5
122.05979	1.4
128.03409	0.4
131.03612	0.6
132.04425	80.2
132.08403	1.1
133.04767	2.1
133.30734	0.4
134.05995	0.5
138.05490	8.8
138.06516	0.7
144.04398	0.7
148.03925	9.9
150.05495	17.9
151.05840	1.0
160.03941	1.1
162.05519	0.6
164.07042	3.1
168.06560	38.6
168.12234	0.5
169.06892	1.0
176.03439	16.0
188.03461	2.4
189.04276	0.7
208.06093	5.8
209.04515	4.1
220.06073	0.4
225.05524	1.9
226.06322	2.2
227.07037	0.8
237.10333	1.6
241.09682	0.7
253.09831	0.5
255.11417	0.7
265.09753	3.7
267.11414	0.6
267.94275	0.3
269.52774	0.5
275.10101	0.3
277.09653	0.4
281.09384	0.8
283.10986	2.7
285.12387	0.7
289.11942	5.8
295.10855	1.5
299.10129	0.5
309.08817	1.4
311.10428	0.6
313.11957	25.5
314.12314	1.1
327.09940	3.5
328.10553	0.3
329.11441	1.8
339.09720	1.1
341.11349	0.7
345.14575	1.3
357.10944	100.0
357.28415	0.9
358.11353	5.2
389.13577	13.6
389.18042	0.5
390.14148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99980	1.8
59.01244	100.0
59.02364	1.0
60.01556	0.8
61.98674	0.5
63.58325	0.6
64.39070	0.5
68.58187	0.5
70.11581	0.6
71.01240	17.7
72.99168	0.8
85.02808	3.1
87.00751	1.3
89.02302	33.3
95.01277	0.8
101.02309	8.1
103.99455	0.6
108.04436	0.9
113.02308	9.9
119.03364	11.8
119.04143	0.8
120.04417	6.7
124.62493	0.6
129.19238	0.6
131.03378	1.1
132.04439	5.9
133.64613	0.6
138.05551	1.1
143.03381	2.4
148.03923	1.2
149.04471	1.2
150.05548	1.1
161.04517	2.1
163.39171	0.6
168.06567	3.0
176.03503	1.0
179.05540	7.3
208.06241	1.0
243.75076	0.7
257.13031	1.4
313.12222	0.9
327.13919	0.7
357.10999	5.6
389.13651	2.3
389.18170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56904	0.4
53.37936	0.4
58.99917	0.8
59.01242	100.0
59.02412	1.8
60.01578	0.8
63.58598	0.8
76.07178	0.4
101.71899	0.4
122.03614	1.6
123.04390	1.3
123.91225	0.5
130.01111	0.5
181.60843	0.5
191.94855	0.7
248.00168	0.5
303.64557	0.5
304.42416	0.5
311.20190	6.2
375.05426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75314	1.6
53.94810	2.0
54.65420	1.8
57.03310	4.2
59.01246	22.6
61.98682	2.3
67.05371	2.3
67.30193	2.2
69.03301	4.5
71.01241	18.6
71.04877	11.4
72.02021	7.1
73.02805	21.0
83.04862	4.1
85.02819	2.6
87.04371	100.0
93.06956	5.7
95.04898	5.9
97.06444	10.1
98.21513	2.3
99.04390	3.0
102.92938	2.0
107.08517	32.3
110.03604	5.1
111.08043	6.4
114.95773	2.1
119.04883	5.1
119.08508	2.5
121.02821	33.9
121.05666	3.7
121.06459	36.6
121.10098	8.8
123.08049	6.2
133.10124	4.4
135.08035	3.2
137.05962	2.8
139.07539	13.3
147.11662	13.8
149.09584	5.3
150.55927	2.3
151.07555	2.6
153.09093	6.9
161.09676	2.5
161.13326	4.2
165.09096	4.0
167.10689	4.8
173.13269	23.4
175.11151	5.3
175.14819	7.0
187.14822	27.5
197.06013	17.3
203.14397	6.6
211.14828	6.4
219.13948	3.5
227.18057	4.3
229.15894	18.1
247.17120	11.7
255.21158	6.7
271.20541	4.6
275.16623	3.1
276.17346	10.1
283.20673	3.0
297.18719	3.8
309.22314	10.1
315.19666	12.0
327.23349	9.0
345.24167	2.8
389.10226	16.1
389.22974	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00198	1.7
59.01243	100.0
59.02420	2.1
62.48737	1.3
78.33205	1.5
87.20306	1.4
88.25443	1.6
96.93684	1.4
102.90202	1.3
113.89001	1.2
122.03664	1.8
161.75858	1.4
247.10391	1.7
311.20193	2.9
341.92712	1.6
345.28079	3.4
354.27094	1.8
389.27182	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	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92382	0.3
56.72992	0.2
59.00074	1.9
59.01242	100.0
59.02591	0.7
60.01578	0.6
60.66070	0.3
63.57608	0.3
69.09644	0.2
70.18666	0.2
74.38483	0.2
109.56179	0.3
118.63622	0.3
126.17975	0.3
128.04131	0.3
161.76616	0.3
214.44720	0.3
258.40085	0.3
327.71848	0.3
409.29913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00071	2.0
59.01242	100.0
59.02587	0.9
60.01576	0.4
67.33636	0.2
84.19519	0.3
88.79967	0.3
102.80764	0.3
104.39299	0.3
156.87929	0.4
198.08549	0.3
201.35428	0.3
205.40039	0.3
280.40985	0.3
330.96860	0.3
392.88330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99902	1.0
59.01242	100.0
59.02415	2.0
60.01574	0.5
61.98698	0.4
66.65857	0.3
74.57510	0.3
80.28156	0.4
102.59565	0.3
232.65535	0.4
265.25421	0.6
279.27002	0.4
283.26501	0.4
309.28073	3.1
345.27994	0.5
353.80524	0.4
370.88602	0.4
374.89688	0.4
389.27072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1927
Annotation	roquefortine D
Peak:m/z	Relative Intensity
51.75597	0.7
53.48183	0.3
58.02842	3.2
59.01242	11.3
65.55708	0.4
69.03290	0.4
74.02340	2.0
81.03283	0.4
82.02832	0.6
84.04411	7.0
85.04719	0.5
91.73050	0.6
95.04870	1.0
95.49411	0.4
97.06447	0.9
100.03887	1.0
100.07543	7.7
100.59963	0.3
102.05467	73.4
103.05806	1.0
107.01584	0.9
109.34348	0.4
119.04892	0.6
127.99513	0.9
128.03407	100.0
129.03757	1.2
129.10228	0.4
133.06427	0.7
143.54134	0.4
145.06474	1.0
146.04472	14.6
146.07195	0.7
147.08037	0.7
156.06561	0.5
161.09619	4.3
163.09821	0.8
163.11183	12.8
164.11461	0.5
165.35735	0.3
187.11201	1.4
189.12766	5.2
193.72490	0.4
201.12753	0.6
217.15918	10.2
218.16396	0.5
243.13907	2.0
260.16516	0.8
261.14969	29.7
262.15350	1.0
266.66663	0.5
284.20218	0.5
287.52277	0.4
325.71237	0.4
346.20251	10.7
347.20908	0.5
372.18222	13.9
373.18576	0.8
389.25162	0.4
390.19263	65.6
391.19547	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21892	0.5
55.22300	0.5
57.03306	0.9
59.01243	6.1
60.24799	0.5
62.18952	0.7
68.12135	0.6
70.62990	0.6
71.01243	4.8
73.02788	1.6
73.51002	0.9
83.01225	1.1
84.51060	0.6
85.02773	2.4
89.02277	0.8
93.03315	2.3
99.04359	2.2
101.02290	2.7
106.04163	1.2
108.02036	22.9
108.02771	1.1
109.02809	2.5
111.62202	0.6
113.02300	2.2
121.02810	5.2
121.15916	0.6
122.03616	12.5
123.04390	50.2
123.07944	0.8
124.04716	0.8
125.02261	0.8
137.02284	1.1
161.04453	3.2
161.07123	1.1
173.07162	1.1
185.05852	1.9
200.08199	0.7
213.05336	2.5
214.06194	8.7
217.00206	0.9
225.72240	0.8
228.07797	14.5
229.08675	100.0
230.08974	4.2
240.07669	1.0
244.07281	8.7
256.05954	2.6
257.06808	13.7
271.08386	67.4
271.67715	0.7
272.08633	2.7
333.15604	1.4
355.13422	0.8
359.08493	1.1
373.11478	1.9
391.12646	59.5
392.13016	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	5,4'-Dihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.53773	0.1
50.92492	0.1
52.35579	0.1
57.03316	0.2
59.01018	0.1
59.01249	1.0
71.01239	3.9
73.02795	1.1
73.30216	0.1
75.66560	0.1
83.01235	0.3
85.02802	1.8
85.64372	0.3
89.02297	0.3
93.03311	3.0
95.01247	0.4
97.02782	0.2
99.00724	0.5
99.04395	0.5
100.18941	0.1
101.02299	2.1
106.04104	1.7
107.04890	0.5
107.99188	0.4
108.02030	27.1
108.05245	0.4
109.02859	1.8
113.02306	2.1
119.04898	0.4
121.02825	4.0
122.03604	16.5
123.00851	0.8
123.04387	58.7
123.08319	0.5
124.04735	1.3
135.04416	0.5
136.01581	0.1
137.02330	1.1
137.32721	0.2
143.03432	0.2
159.02928	0.5
161.04448	3.1
227.07130	0.3
228.07756	0.3
228.99748	1.1
229.08664	100.0
230.09015	4.4
246.46548	0.2
253.02608	0.1
391.14038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72111	0.6
54.60482	0.5
55.01759	0.6
57.03321	1.2
59.01240	4.6
71.01240	5.0
71.78603	0.6
73.02798	1.4
74.61303	0.6
83.01266	0.8
85.02794	2.8
85.87978	0.6
87.04359	0.9
89.02303	0.7
92.99911	0.7
93.03292	2.5
99.04381	2.1
101.02296	3.5
106.04089	1.5
107.04902	0.8
108.01329	1.2
108.02032	21.0
109.02850	1.2
113.02297	3.0
121.02825	4.9
122.02782	1.0
122.03605	12.0
123.00842	0.8
123.04390	50.8
124.04718	1.0
125.02300	0.8
132.04446	1.1
150.05530	0.7
155.03371	1.1
160.05371	0.7
161.04459	3.2
211.09662	1.3
214.06142	2.1
219.63518	0.7
220.06223	0.9
228.07866	5.3
229.08665	100.0
230.09097	5.2
244.07286	2.8
256.06146	1.1
257.06747	2.8
271.08350	16.2
272.09024	0.9
371.74484	0.9
391.12564	13.4
392.12857	1.2
396.40784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71624	0.3
55.83339	0.3
59.00073	1.7
59.01243	100.0
60.01584	0.5
61.66351	0.2
67.12753	0.3
68.08353	0.2
71.01269	0.3
72.82015	0.3
73.97112	0.3
88.29988	0.3
100.44212	0.3
126.31015	0.3
132.64502	0.3
152.99477	0.4
182.83781	0.4
255.23303	3.5
313.21744	4.2
331.17795	0.4
388.10367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17825	0.4
50.65757	0.4
51.49117	0.5
52.50839	0.5
54.66288	0.4
59.00968	0.7
59.01242	10.4
61.78995	0.4
61.98706	0.5
69.03312	2.6
83.41836	0.5
83.82309	0.5
89.26379	0.5
91.73306	0.5
107.04930	0.6
116.24726	0.5
121.06481	1.3
181.12283	0.6
187.14861	0.6
195.13821	2.2
203.14351	2.0
204.15085	0.7
205.15942	7.4
206.16190	0.7
207.13852	1.0
207.17474	1.5
215.10451	1.4
217.00327	0.8
217.12047	3.0
221.15491	0.7
223.16969	4.9
233.15416	3.5
235.13116	1.4
247.09546	1.3
249.10974	1.2
251.16536	12.2
255.13667	6.9
271.12979	1.0
273.14740	100.0
274.15134	3.7
279.12164	1.5
289.12985	1.3
291.14542	10.3
291.19659	1.0
292.14655	0.8
309.20734	16.4
309.24124	1.2
310.20969	1.0
331.17731	0.9
333.15646	1.9
391.20001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2241
Annotation	Cyrmenin B2
Peak:m/z	Relative Intensity
57.32763	1.2
58.02840	15.6
59.01247	6.7
65.88514	1.4
66.94798	1.2
79.54704	1.2
81.93222	1.3
83.05992	3.9
84.04408	5.8
91.72746	1.5
95.04891	1.5
101.07047	8.2
103.07613	1.3
109.03962	9.6
113.44640	1.3
125.03455	3.5
125.07072	17.2
127.05010	51.4
128.03386	8.6
130.32004	1.4
143.08092	2.5
144.95824	2.3
145.06071	60.0
162.97705	1.5
163.11212	9.9
163.40993	1.5
165.12752	6.1
191.14282	7.7
231.12402	2.8
245.15564	1.7
262.18347	2.5
329.22351	4.0
373.21255	10.3
391.22449	100.0
392.22787	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	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.2
59.00163	1.5
59.01242	100.0
59.02490	1.7
60.01574	0.6
71.01250	0.2
76.71220	0.1
107.27480	0.1
122.03696	0.2
154.46129	0.2
269.22830	0.2
291.44440	0.2
313.21762	4.1
314.22186	0.3
400.67343	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	391.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71040	0.1
59.00156	1.4
59.01244	100.0
59.02504	1.6
59.20007	0.1
59.61804	0.2
60.01577	0.6
68.64439	0.2
71.01267	0.2
91.73241	0.2
97.02753	0.2
108.02042	0.3
109.93036	0.2
111.53510	0.2
122.03614	0.6
123.04417	0.2
128.42732	0.2
166.55756	0.2
177.49519	0.2
233.53508	0.2
269.22672	0.2
313.21768	5.0
314.22415	0.3
337.96143	0.2
406.97772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30550	0.5
52.68442	0.6
57.82273	0.6
59.00119	1.5
59.01242	100.0
59.02503	1.7
60.01562	0.7
63.57720	0.5
78.60243	0.6
84.50287	0.6
112.27559	0.6
278.20886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66132	1.7
59.01241	100.0
60.01582	2.4
78.61204	1.9
83.32945	1.9
95.01685	1.9
139.14711	2.2
212.65382	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	392.1508
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
50.54460	0.4
50.55023	1.6
51.43626	0.4
56.07949	0.5
59.01234	1.5
59.35044	0.8
81.03284	1.2
93.03315	2.3
95.01234	0.9
95.04881	6.0
104.27661	0.5
105.03332	0.6
106.04117	4.5
106.06486	0.9
107.04884	1.6
108.02039	2.3
118.06516	1.1
121.02822	3.6
122.03599	7.0
123.04388	100.0
123.08075	1.2
124.04718	2.1
135.04393	15.0
138.03212	0.6
139.31985	0.6
151.84265	0.5
154.02615	0.7
183.30099	0.5
191.35049	0.6
210.09244	0.6
212.10757	9.2
224.10756	2.9
256.09778	13.5
256.12302	1.0
268.09848	1.5
348.16061	20.4
349.16486	1.1
358.40884	0.5
392.15079	81.8
393.15536	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	392.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85302	0.3
51.85502	0.1
58.02839	2.9
59.01241	7.5
59.02477	0.2
59.97308	0.1
60.78924	0.1
71.01249	0.2
72.04391	0.2
74.02335	1.4
78.22637	0.1
80.02531	0.2
81.03320	0.2
82.02830	0.8
83.04877	0.2
84.04401	7.9
85.02796	0.7
86.05952	0.2
93.03289	0.2
95.04881	1.4
97.06437	0.7
100.03897	0.6
100.07539	7.9
100.10277	0.2
101.02291	0.3
102.02993	0.9
102.05463	76.7
102.08312	1.0
103.05791	1.1
106.04089	0.3
107.04885	0.3
109.06439	0.4
119.04896	0.2
120.05664	0.3
121.06412	0.3
127.99940	1.0
128.03403	100.0
128.07391	1.2
128.10692	0.4
129.03760	1.1
134.07262	0.2
135.08037	0.2
143.75826	0.1
146.04469	15.3
146.09300	0.2
147.08009	0.9
148.08827	1.2
149.09555	0.5
151.11115	0.5
158.98125	0.2
161.09627	0.4
163.11176	6.9
165.12743	8.8
166.13072	0.3
177.12720	0.2
189.12776	3.5
191.14334	4.0
203.14320	0.4
215.01758	0.2
217.15924	0.2
219.17500	3.3
227.14374	0.4
230.39183	0.1
234.11516	0.1
245.13278	0.1
245.15439	3.6
262.18069	0.7
263.16522	45.2
264.16904	1.8
288.19553	0.2
304.22791	0.5
348.21823	12.5
349.22116	0.8
374.19742	14.2
375.20007	0.6
392.20816	64.6
393.21152	3.8
393.25949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	100.0
59.01242	82.7
59.01511	5.9
71.01259	15.2
83.01284	5.1
85.02818	6.7
99.04375	79.3
99.04994	4.7
101.02302	32.8
101.02906	4.3
113.02343	8.9
125.02325	24.4
150.58302	4.0
161.04494	4.8
195.49680	4.8
212.55408	3.5
249.13425	40.5
285.04202	12.9
393.17883	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	393.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45341	18.6
57.45632	16.3
59.01239	100.0
61.98687	24.2
62.03577	20.8
65.50229	18.0
76.03902	18.8
90.32037	18.3
107.15579	18.8
123.48269	18.5
142.61227	22.3
158.89366	19.7
186.95073	28.3
217.47968	20.5
237.33569	19.0
248.81270	23.0
298.84854	23.2
311.16641	34.2
395.48260	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	393.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	100.0
59.34071	12.7
59.60213	14.3
63.26342	13.9
64.11800	12.6
64.26887	14.1
74.18216	14.4
77.49210	14.8
129.79701	16.0
163.18248	16.6
193.29626	15.3
225.68936	15.0
233.00142	16.7
401.45715	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	393.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54503	0.3
57.03294	0.8
58.00451	0.6
58.02846	1.8
59.01236	1.8
70.02831	1.7
71.04863	0.7
73.02789	0.3
83.04876	0.4
85.06438	6.3
91.72680	0.5
96.00773	6.3
98.35580	0.5
99.04376	1.4
101.05946	5.1
113.03419	1.0
114.01834	4.0
131.04497	2.5
134.05986	0.5
141.12737	2.0
152.07050	1.1
169.12238	6.2
171.13765	0.7
183.13863	2.6
189.12720	0.8
192.06560	1.2
199.13326	13.3
200.13589	0.6
201.12697	0.5
215.12840	0.6
217.15919	0.7
234.09027	0.9
237.08876	0.4
237.18469	0.4
245.13892	0.7
255.19632	0.9
260.16495	0.6
273.20728	1.0
278.08081	0.9
278.17569	1.1
286.08694	0.4
301.20230	13.3
302.20935	0.6
319.21271	100.0
320.21570	4.0
354.20422	0.4
357.14572	1.4
375.09665	2.0
375.19046	0.8
393.10983	0.7
393.20276	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	393.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26575	0.4
51.71432	0.4
56.16341	0.5
56.81357	0.4
58.43096	0.4
59.00188	1.1
59.01243	100.0
59.02449	1.6
60.01575	0.5
62.66147	0.4
63.58633	0.7
81.66659	0.4
88.09641	0.4
96.56792	0.4
108.88869	0.5
129.18355	0.4
140.23578	0.5
315.23291	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	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	100.0
73.61652	35.2
76.01480	28.6
79.67422	28.9
91.73344	42.9
97.81168	31.7
149.53714	34.5
229.75739	45.9
257.21909	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	100.0
68.07174	62.3
80.61913	83.9
93.24897	73.2
112.20485	90.0
128.30707	85.3
130.93921	81.2
220.82956	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	394.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18300	0.9
54.66757	0.9
55.01759	2.2
57.03325	1.9
59.01253	1.5
70.02865	1.2
71.04881	7.3
80.04941	3.2
82.02844	5.8
83.01237	7.4
83.04877	12.9
85.02886	1.2
85.62774	1.0
86.02350	6.7
96.04399	10.3
98.02338	40.1
98.05974	14.3
99.00758	2.5
99.02695	1.0
99.04417	3.0
102.98450	1.6
108.04418	19.5
109.35187	1.2
117.03347	1.8
119.04884	9.0
120.01172	2.8
124.03918	21.1
126.05486	21.7
126.06367	1.4
127.00253	7.4
137.00552	15.0
142.03285	3.4
142.04977	10.1
145.02826	18.2
152.03426	29.3
152.04640	1.7
153.03893	1.1
168.01550	1.5
168.02951	23.8
168.04303	1.6
170.04491	58.4
171.04912	1.4
175.02557	1.3
179.01640	41.8
180.02032	1.6
188.07135	2.0
196.02451	100.0
197.02849	3.3
202.01735	26.4
202.03516	1.3
214.03523	73.5
215.03857	2.1
221.13113	1.3
230.01259	20.0
248.02336	52.2
249.02750	1.4
269.04678	4.4
269.31290	1.1
322.07153	1.3
333.16370	1.1
376.05161	1.7
383.05093	1.2
385.38510	1.2
394.06268	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.4
58.99933	0.4
59.00229	0.4
59.01240	21.7
59.02405	0.5
59.71964	0.9
64.09209	0.4
71.01237	29.8
71.02743	0.5
72.99141	0.5
73.02801	1.0
83.01232	1.7
85.02812	3.8
85.06443	11.5
88.03888	5.6
89.01760	0.7
89.02298	10.8
91.65792	0.5
95.01237	1.1
98.84376	0.4
99.00686	0.6
101.02293	7.3
110.99165	0.4
113.02296	4.8
113.05941	2.2
116.03375	1.4
119.03368	4.3
130.08569	0.9
136.05350	0.5
136.23131	0.4
139.11473	0.5
142.08653	2.4
148.20300	0.6
157.00519	0.7
160.09683	42.3
161.04321	1.1
161.10046	0.5
200.25352	0.5
203.65294	0.5
214.10860	0.9
214.36728	0.8
232.11871	0.7
277.12930	0.8
296.68356	0.6
322.15112	5.5
373.45499	0.5
376.16052	2.3
394.17191	100.0
395.17529	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24701	0.5
59.01243	71.9
59.02399	1.3
60.01580	15.0
60.01888	0.8
60.02775	0.4
61.01667	22.2
61.97284	1.1
61.98694	100.0
61.99930	1.7
62.01998	1.4
65.19174	0.8
69.82987	0.4
71.01249	0.5
141.95561	0.4
239.37445	0.5
314.21964	1.0
315.22263	1.7
316.22546	2.7
320.12607	0.5
331.22577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03447	34.4
56.49524	42.9
71.16373	38.8
91.72769	100.0
93.99229	46.2
126.27939	47.3
126.50578	46.5
127.62363	43.5
138.40602	47.1
141.13792	50.2
169.02272	50.5
212.29828	56.9
238.12685	59.6
395.26178	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
58.33543	0.9
59.00064	1.5
59.01243	100.0
79.97673	0.9
85.74484	1.0
97.49368	1.3
117.92297	1.1
123.12281	1.0
138.61760	1.2
225.73505	1.1
237.77487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89607	1.3
57.03305	1.5
59.01236	4.6
61.63015	1.3
61.66985	1.2
61.98680	1.4
65.05125	1.3
71.01241	7.5
75.44457	1.4
78.95740	2.2
80.27581	1.8
81.40152	1.5
81.40730	1.1
86.90856	1.6
97.02832	1.7
97.06451	4.9
118.65709	1.4
123.08021	1.7
125.05982	9.8
125.60468	1.5
126.06734	5.8
137.83444	2.1
139.03896	3.2
141.09082	5.3
163.11172	1.5
165.12750	4.4
194.74112	1.5
195.13844	3.8
247.20547	2.4
253.14412	4.1
254.15219	30.4
291.19629	21.0
305.21262	4.3
323.22293	100.0
324.22556	7.8
336.30972	2.1
345.20746	5.9
359.74350	1.8
363.21783	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	395.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03413	0.3
54.91884	0.3
55.53069	0.2
57.55507	0.3
58.99939	1.4
59.01242	100.0
59.02427	1.8
59.64751	0.3
60.01582	0.6
67.57184	0.3
69.63127	0.3
71.01218	0.3
82.19707	0.3
86.21270	0.3
118.89886	1.2
120.89603	0.9
128.86324	0.3
130.18300	0.3
158.42502	0.3
169.35500	0.3
188.06001	0.3
259.24072	0.4
313.19275	0.6
317.24863	2.6
375.92511	0.3
395.10452	2.9
395.26221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62099	0.3
58.99964	1.5
59.01243	100.0
59.02349	1.7
63.57498	0.7
69.36623	0.5
69.66434	0.5
87.05717	0.5
91.73106	0.6
97.93048	0.4
104.82589	0.4
159.54666	0.6
182.11581	0.4
195.48366	0.4
206.42935	0.5
273.26007	1.0
317.24850	3.4
364.51620	0.4
395.26450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46621	1.0
60.42713	1.1
72.64435	1.2
96.95891	2.7
99.52787	1.5
99.92442	54.0
100.93205	1.8
115.91933	10.1
116.92728	6.3
118.89845	100.0
119.89856	3.5
119.90633	1.5
134.89342	6.1
135.90144	13.6
150.88876	3.3
151.57518	1.6
184.21675	1.7
271.73972	1.6
277.21780	6.2
278.22034	3.3
301.29599	1.5
327.47012	1.7
339.20108	2.3
360.14026	15.7
396.11707	48.7
397.11780	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25648	0.8
53.64062	0.9
55.01759	1.0
57.02160	1.6
57.03317	76.1
57.04311	1.4
59.00021	1.5
59.01242	90.4
59.02586	0.9
61.98687	2.5
65.97364	0.9
70.72914	0.9
71.00870	2.3
71.01238	28.8
72.08829	0.9
73.02809	11.8
75.00719	2.6
78.95765	13.0
79.95490	1.0
81.03321	2.1
83.01247	5.9
85.02802	12.8
87.00745	1.7
89.02294	17.9
89.34820	1.1
91.03867	9.4
95.01223	2.4
96.95894	6.8
96.96815	25.2
96.99022	1.0
97.02828	2.4
99.00734	4.3
99.04377	65.2
101.02301	55.1
106.86787	1.1
110.79208	1.1
111.00774	3.1
113.02308	16.6
115.03956	1.5
119.03358	6.1
125.02317	37.7
127.03930	1.1
130.08623	2.6
133.04950	4.3
143.03387	5.8
152.84564	1.2
159.02823	2.9
161.04454	22.3
165.99615	1.0
179.05547	2.3
180.53850	1.1
217.07034	1.7
218.08234	2.7
235.08209	35.7
236.08662	1.4
253.09285	100.0
254.09578	3.9
295.10364	24.4
335.13513	4.8
353.14713	1.5
397.13464	21.1
415.59583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14635	0.3
59.01229	1.2
75.00767	0.4
77.57724	0.4
79.95593	26.1
80.20312	0.4
80.63239	0.4
80.96377	4.6
94.97942	45.0
95.00317	0.7
95.90004	0.5
101.02409	0.4
102.05457	0.5
128.03413	0.8
149.85820	0.4
217.00175	0.6
263.03821	0.8
299.22311	1.4
301.20233	1.3
361.18536	1.8
363.73401	1.3
379.17987	3.8
397.19028	100.0
398.19318	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	397.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00971	2.2
59.01243	28.6
60.76059	1.9
63.76064	1.5
72.96347	1.6
75.78695	1.8
77.24686	1.8
80.02528	7.7
91.57277	1.9
93.03327	2.3
95.04883	3.5
97.07185	1.7
107.04865	2.0
107.98988	2.2
109.44011	1.8
114.65946	1.8
116.80696	1.8
119.04889	5.0
122.78738	2.2
123.08064	2.3
145.06435	2.0
147.08044	2.1
148.76262	2.0
149.09615	3.7
149.33107	1.9
161.09694	4.6
163.11169	26.1
165.12717	11.2
182.26033	1.9
189.12732	13.5
191.14240	1.9
203.14438	3.1
217.00250	8.4
217.15906	35.2
268.10837	14.9
271.20685	38.4
304.81726	2.2
315.19690	100.0
316.19891	6.6
325.23816	3.5
337.17911	49.6
338.18286	3.3
397.19971	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	397.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71634	6.3
57.03304	20.2
59.01233	59.1
59.01419	5.3
59.73337	5.8
60.69397	6.6
71.01219	10.5
71.04871	14.6
72.02037	12.7
73.02791	7.6
75.00747	7.5
79.50653	7.0
81.03326	7.8
83.04880	79.4
87.04359	35.7
87.81734	7.7
95.04932	7.2
98.58929	7.8
101.05956	18.2
109.06453	31.6
111.04385	17.2
122.18988	7.1
174.69409	8.1
180.27480	7.3
181.15944	22.1
209.15390	45.4
217.00281	34.6
221.15421	9.3
223.17104	9.3
225.18520	17.7
235.17070	12.3
237.14742	8.4
253.18121	100.0
265.18066	65.5
277.18109	18.1
295.19141	14.5
317.21246	35.4
325.20251	14.9
335.22372	13.6
352.79395	9.6
397.17969	12.9
397.22382	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	397.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38000	10.5
59.01245	100.0
61.98676	37.5
62.92814	9.8
91.72735	14.6
121.02864	12.4
125.72418	12.8
217.00266	62.8
397.21246	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	398.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36630	0.5
54.75205	0.5
57.00286	0.5
59.01241	3.1
71.01234	0.9
77.48074	0.6
78.95759	1.3
79.95589	3.0
85.02806	0.9
96.93221	1.1
96.95871	100.0
96.98277	1.4
106.04161	1.3
113.92500	1.3
116.04895	3.8
128.03394	1.1
130.08566	0.9
130.18303	0.7
146.06010	0.9
150.70847	0.8
154.79552	0.7
161.82530	0.7
222.02119	1.3
224.10872	1.1
268.06497	1.1
270.11322	3.1
271.06537	8.6
280.06552	2.3
290.05768	2.7
292.09573	0.9
296.06067	2.0
298.07626	3.9
300.12436	5.3
308.06152	5.5
310.07635	1.1
311.05902	1.0
313.07635	12.9
314.07794	1.2
315.05441	1.2
322.04169	1.0
322.10565	1.2
326.07193	3.9
338.07324	10.2
340.08640	8.6
350.07117	9.0
356.08038	4.0
357.06424	1.1
368.08206	11.9
369.08426	1.1
384.07782	1.2
394.18723	0.8
398.09311	17.3
398.18405	1.1
400.07220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17048	0.8
54.83398	0.7
57.03301	1.3
57.87618	0.9
59.01229	4.7
61.98682	2.4
69.03320	1.6
71.01215	0.9
81.03291	1.2
83.04872	2.4
84.04403	3.8
87.05022	1.1
91.14765	1.0
97.06489	1.5
100.07531	2.1
102.02908	1.1
102.05466	42.6
107.04884	1.1
108.16752	0.9
109.06448	7.1
127.99744	1.8
128.03406	100.0
128.07544	1.2
141.05431	10.8
146.04468	12.5
152.07057	1.1
155.07018	1.1
159.80904	1.0
226.10756	1.5
228.80560	1.3
266.39996	1.1
267.79764	1.1
269.13919	11.4
354.18747	1.3
380.17160	5.8
398.18207	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	399.0998
Annotation	S-acetylphosphopantotheine
Peak:m/z	Relative Intensity
53.39779	0.4
59.01239	0.9
61.98688	1.5
65.53565	0.5
67.20598	0.4
74.77709	0.4
74.98952	1.1
76.07056	0.4
78.93728	1.1
78.95762	100.0
78.97595	1.9
86.85408	0.5
91.73293	0.6
96.96822	31.7
96.99303	0.6
100.36652	0.5
106.68758	0.5
114.05505	0.6
120.49536	0.5
121.38671	0.5
186.51755	0.5
256.13818	0.8
279.09262	0.5
323.10043	1.0
339.08719	0.5
357.08929	17.1
358.09229	0.8
399.09979	31.9
400.10233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	1.9
59.01241	4.8
68.24103	1.1
71.21406	1.2
72.26280	1.3
75.00729	3.2
82.02848	3.6
83.04861	1.3
84.04397	2.0
88.03880	4.3
89.31281	1.1
100.03904	3.3
102.05479	7.5
106.04105	27.5
106.06477	20.8
108.02048	4.6
114.01874	1.7
120.08047	1.6
128.03409	12.6
131.98395	1.2
146.04530	4.0
146.06020	5.4
146.09694	2.4
171.97083	1.6
173.10764	9.4
174.09131	12.4
212.10757	15.7
234.09018	2.9
237.08859	2.4
238.12375	2.3
250.12407	5.6
252.13905	2.9
260.10693	1.7
270.11386	13.5
274.12158	4.4
279.15021	9.7
280.13361	19.9
280.15985	2.1
297.16156	3.1
299.11847	2.9
300.10110	2.5
300.92029	1.6
302.11707	5.2
313.19202	2.4
318.09802	2.1
323.13974	23.1
340.98004	1.6
341.15125	71.8
341.19525	6.1
342.15591	3.8
345.12195	30.6
355.16556	2.1
355.20599	1.8
363.13287	100.0
364.10471	5.4
364.14053	3.7
381.14487	4.3
381.18713	3.0
399.10513	10.6
399.15549	12.5
399.20099	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	31.2
57.04414	0.9
57.40376	0.5
59.00973	0.8
59.01245	12.2
61.17022	0.6
71.01242	4.5
73.02798	2.6
74.77552	0.5
75.00728	0.6
83.01251	0.6
85.02798	1.7
87.41100	0.5
93.00736	1.1
93.03316	100.0
93.05611	1.7
94.03656	1.1
94.97958	0.6
95.01283	0.5
96.95834	0.6
99.04379	27.1
99.70785	0.5
100.60033	0.5
101.02306	10.5
102.05447	2.8
107.65933	0.4
110.06808	0.5
113.02313	2.0
125.02316	13.0
128.03404	5.9
129.03728	1.0
143.03351	0.8
146.04477	1.0
161.04431	4.6
203.05577	1.9
209.84924	0.4
235.18858	0.5
243.08795	1.3
255.08742	1.1
271.15234	0.5
297.09753	1.7
339.69968	0.6
374.90631	0.6
398.18369	0.7
399.13217	1.1
399.18909	2.6
400.19766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10096	1.5
57.03301	4.1
59.01236	10.1
69.03307	1.5
69.59407	1.5
71.01233	5.8
71.04875	1.5
73.02808	1.6
83.04867	4.0
85.02817	10.2
87.04361	2.2
88.03896	100.0
95.04831	2.8
95.25783	1.6
97.06426	7.0
98.06007	2.3
101.50611	1.4
102.05472	3.7
106.04096	13.5
106.06474	16.6
108.01996	2.6
114.01114	2.7
114.01835	31.4
119.22091	1.8
128.03403	4.2
132.08070	11.1
137.09587	3.2
155.10683	8.8
160.07574	22.7
165.12711	3.0
167.14297	2.7
171.99007	1.9
172.59871	1.6
174.09068	2.6
183.13744	2.0
186.88202	2.2
195.13766	6.0
199.13246	3.5
205.13391	4.8
209.15488	2.6
211.16985	2.0
212.10805	7.5
213.14937	4.2
231.32408	1.7
238.12364	11.7
239.16380	7.6
257.17581	10.0
266.11795	5.3
267.15970	4.8
279.15268	2.1
280.13501	4.3
282.11053	2.2
311.17700	6.2
319.22910	10.8
323.14157	3.9
327.21841	3.4
337.23828	2.9
341.15021	10.7
345.12115	5.1
355.16666	32.1
355.24869	7.2
363.13199	16.6
399.11240	3.4
399.15540	85.8
399.23926	3.9
400.15833	4.8
400.23709	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	399.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	6.1
61.98694	2.7
106.04112	14.8
111.80481	2.0
116.04934	17.7
116.53494	2.1
119.75098	2.6
120.08063	12.2
142.06580	2.8
146.06021	16.9
165.12733	16.9
198.82571	2.0
212.10857	3.7
226.12366	8.4
270.11383	57.1
275.20325	3.3
285.10724	2.1
319.22949	14.0
355.18170	6.6
399.17194	100.0
400.17581	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	399.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60860	1.1
59.01244	25.1
60.25830	1.2
61.45324	1.4
63.34790	1.4
75.00730	14.0
98.90540	2.5
127.68114	1.7
148.19853	1.6
151.84636	1.9
162.79158	1.8
163.97624	1.5
183.01199	4.1
203.18022	4.7
225.72234	2.0
257.22766	20.4
299.61249	2.2
301.21744	100.0
302.22128	5.4
307.63437	2.0
334.86514	1.7
339.19998	11.9
339.70630	1.8
352.02158	1.8
380.32629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76705	6.5
51.84132	8.0
51.85755	7.5
55.40356	8.7
57.07068	7.1
59.01233	28.9
61.98670	8.0
70.71098	8.0
75.00711	10.5
102.82600	11.8
106.46394	9.2
116.04938	10.6
124.60825	9.8
171.59006	11.6
206.39813	12.0
231.06468	11.7
249.22324	14.8
270.11417	24.4
272.71616	13.6
275.57382	10.8
323.43411	11.8
374.95923	10.7
399.17154	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	399.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34684	15.8
52.59238	15.0
53.67415	13.9
59.01241	100.0
68.95161	14.8
72.12673	15.5
128.17821	17.5
182.15701	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
66.80371	28.2
67.42658	25.1
73.04323	25.6
73.79449	26.0
75.21128	33.2
82.20880	25.8
97.02812	43.8
107.94176	28.8
110.67284	30.6
115.81035	32.5
145.07582	35.6
147.46214	33.4
345.20874	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10949	15.2
53.59417	17.0
59.01236	100.0
64.26734	18.2
70.19514	19.7
84.35028	21.4
85.52425	22.6
88.80096	19.8
98.24523	20.5
138.05150	23.3
197.89279	22.2
243.43901	21.9
368.82669	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	399.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	6.4
59.01244	100.0
60.06181	3.2
61.98680	5.7
80.30030	4.3
83.01216	7.9
85.06432	6.1
110.88227	4.2
119.89513	4.0
137.50119	4.3
282.75717	4.4
290.04764	4.3
295.26385	35.3
341.27319	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.0
63.13671	0.3
63.22018	0.3
64.96861	0.7
68.65710	0.4
75.00700	0.3
78.60498	0.4
79.95590	26.9
79.97469	0.4
80.96369	4.0
85.47237	0.4
88.82738	0.4
94.97940	47.4
95.00391	0.8
96.55511	0.4
96.95844	0.4
102.05444	0.9
127.04995	0.7
128.03383	1.6
145.06059	0.5
170.35875	0.4
183.04755	0.5
186.09157	0.5
261.95795	0.5
284.03027	0.6
285.04279	0.7
287.04608	0.6
361.98090	1.2
381.19644	4.0
399.20596	100.0
400.20993	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	399.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.0
63.13671	0.3
63.22018	0.3
64.96861	0.7
68.65710	0.4
75.00700	0.3
78.60498	0.4
79.95590	26.9
79.97469	0.4
80.96369	4.0
85.47237	0.4
88.82738	0.4
94.97940	47.4
95.00391	0.8
96.55511	0.4
96.95844	0.4
102.05444	0.9
127.04995	0.7
128.03383	1.6
145.06059	0.5
170.35875	0.4
183.04755	0.5
186.09157	0.5
261.95795	0.5
284.03027	0.6
285.04279	0.7
287.04608	0.6
361.98090	1.2
381.19644	4.0
399.20596	100.0
400.20993	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	399.225
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
57.03323	1.2
58.02850	2.9
59.01251	3.4
66.28963	0.7
69.03348	0.9
73.03945	1.3
83.04880	0.9
84.04411	1.7
86.64326	0.8
87.05492	19.3
93.03310	1.9
97.03918	0.8
101.07137	1.2
102.05486	3.1
110.02354	2.5
111.05511	1.8
112.03920	1.1
116.07035	47.5
125.10779	0.9
126.06626	1.9
127.05009	2.3
128.03383	5.1
129.03841	0.8
129.06569	30.8
129.10243	2.3
130.08600	1.0
141.10275	1.4
143.08122	1.1
143.11810	1.7
144.07635	4.6
150.01904	1.2
154.07428	3.4
168.07732	1.5
185.16504	15.4
185.18134	1.1
186.08727	3.1
196.14554	1.4
200.13997	1.5
211.14557	2.5
214.15668	1.3
229.15533	7.5
238.15692	1.1
241.55917	0.9
242.18709	10.8
252.23894	0.9
313.22510	7.6
343.17841	1.0
357.21628	1.3
363.12231	1.3
381.17615	1.2
399.22568	100.0
400.22964	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	399.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03335	17.6
56.93476	19.1
59.01229	59.3
62.83596	22.3
113.48098	30.3
183.01100	38.3
211.38251	27.7
225.38466	29.7
269.09631	27.2
339.19958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01456	31.5
53.87349	32.1
57.07069	30.2
59.01240	59.5
67.31104	38.8
68.58637	50.3
70.66010	38.9
73.30981	38.7
76.81733	33.8
77.10307	35.1
91.72780	80.8
91.73354	100.0
93.55856	47.6
124.29890	43.6
137.61545	41.2
139.84529	43.4
191.50334	50.3
241.43127	45.8
243.19711	49.0
301.21906	79.1
339.19965	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56573	1.0
55.01745	1.3
55.40370	1.0
57.03323	1.3
57.40250	1.2
59.01242	12.8
68.10705	1.3
72.99178	4.6
73.02803	2.9
75.00749	4.1
83.04881	1.3
85.02832	2.1
91.73286	3.6
97.06447	2.0
112.05157	1.5
115.07498	2.7
115.83006	1.3
127.11137	2.7
129.09088	10.1
137.09547	2.0
141.09100	5.9
146.06036	4.0
155.05197	1.4
155.10675	100.0
156.10994	2.0
163.11253	2.1
169.12247	2.9
171.10234	2.3
174.05493	1.7
177.05438	1.5
191.14256	1.4
198.53871	1.4
208.19580	1.6
213.14951	7.5
218.12849	1.7
220.61511	1.7
225.14966	2.7
235.13428	6.4
255.16240	2.5
276.02972	1.5
286.17783	9.5
317.13681	5.8
318.16867	4.4
319.22964	4.2
322.10626	1.7
323.18677	9.9
327.25497	2.4
337.23911	11.7
350.10330	3.8
355.24847	12.1
399.23816	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77169	3.3
57.03310	18.7
59.01245	22.6
59.13450	3.5
61.98702	3.7
66.10815	2.7
69.03306	7.0
71.01237	6.7
72.02007	4.9
83.04865	12.7
84.02031	3.8
85.02803	100.0
85.06436	3.4
85.36162	4.2
87.04386	9.2
95.04892	8.9
97.06429	19.0
105.91863	4.6
106.04113	8.1
127.11168	8.2
128.03409	10.6
137.09613	20.9
139.11188	5.4
153.09100	8.4
155.10684	39.7
165.12691	7.6
167.14307	15.8
169.12206	9.6
171.10173	7.8
174.05823	4.1
174.09181	6.6
183.13821	4.9
195.13876	25.9
199.13292	20.3
209.15463	4.9
211.13377	8.9
211.17052	4.5
212.10753	5.7
213.14854	20.8
239.16493	37.0
249.27351	4.4
255.15945	10.9
257.17554	47.6
267.15927	18.8
280.13376	10.8
319.22925	37.0
327.21744	16.4
337.23776	10.2
355.24939	58.4
356.57663	4.6
381.18140	11.7
392.29510	4.7
399.19510	32.9
399.24063	30.5
400.23987	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	400.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23335	1.0
52.23551	0.4
52.98705	0.5
57.03310	1.4
58.02848	0.6
59.01243	3.4
61.98679	0.4
71.01224	2.6
71.04878	1.2
73.02802	1.3
74.02341	1.8
81.03285	0.5
81.57792	0.5
81.77079	0.4
82.02826	0.5
83.04893	0.5
84.04401	3.8
85.02800	1.0
85.06434	0.5
89.02273	0.6
93.03331	0.4
95.04845	0.8
97.06441	1.9
100.07513	0.7
101.02285	1.1
102.02575	0.7
102.05466	70.5
102.08047	1.3
103.05828	0.9
107.04894	1.7
109.06481	0.7
111.08021	2.9
113.02293	0.5
113.05945	1.8
115.07495	0.8
123.04388	0.6
125.05906	2.1
127.07506	1.5
128.03406	78.4
129.03740	1.2
129.09064	0.5
130.93745	0.4
133.10101	12.8
135.08009	0.9
139.07541	0.6
141.09056	0.4
143.07013	0.8
146.04477	15.0
147.11670	0.4
151.11235	0.7
156.13864	0.6
157.08644	0.5
191.14384	0.7
200.87283	0.4
209.15446	1.1
253.14470	1.1
270.00729	0.5
271.15533	34.3
272.15820	1.3
338.19553	0.9
341.10846	1.2
356.20743	6.7
357.21213	0.5
382.18704	8.9
400.19778	100.0
401.15048	0.7
401.20053	5.8
416.46494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32738	0.4
58.02834	0.9
58.67148	0.6
58.82680	0.4
59.01244	4.0
63.09208	0.6
63.25182	0.4
67.02875	2.5
71.01241	1.8
72.00764	1.2
72.04391	0.5
72.56277	0.4
77.69071	0.4
80.03648	4.3
81.04434	9.3
85.02790	0.8
89.02294	1.7
93.04437	10.8
101.02297	1.2
102.05431	2.7
108.05528	8.0
109.03945	1.3
110.04214	1.3
110.07100	100.0
110.10345	0.9
111.07433	0.8
118.03925	0.5
119.03326	0.9
128.03387	3.6
134.06052	0.6
134.07123	0.6
136.05037	1.9
137.03452	8.4
137.68648	0.6
146.04497	1.0
152.07054	1.0
154.06111	71.8
154.11485	0.8
154.94313	0.5
161.09659	0.5
163.11206	2.2
164.08212	0.5
165.12776	1.4
174.01868	1.2
179.05501	1.1
191.14404	2.3
220.65855	0.5
221.07954	0.6
227.14326	0.6
238.62079	0.5
247.43932	0.5
258.18631	1.6
259.44675	0.5
263.16595	3.5
271.15433	1.1
295.65625	0.5
302.17633	1.2
338.22601	0.7
338.97543	0.5
339.10013	0.9
341.10678	4.0
356.23407	2.8
379.57431	0.5
400.22482	77.5
401.14078	0.6
401.22861	4.2
413.50360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63382	0.8
57.52658	0.8
59.01239	6.9
61.96310	0.8
61.98690	1.1
69.60799	0.7
71.01235	2.5
74.02341	1.1
78.33371	0.8
78.42336	0.8
81.58742	1.2
84.04402	4.5
89.02291	3.8
91.72726	1.1
101.02260	1.2
102.05465	44.4
103.37029	1.0
107.04320	0.9
116.75578	0.9
119.03438	1.2
119.15014	1.0
121.02805	2.9
128.03409	61.8
129.03722	1.3
146.04474	10.2
156.08096	1.0
179.05508	2.7
209.19052	17.0
219.97690	1.2
230.49852	0.9
235.10641	1.0
253.18089	32.4
254.18466	1.1
271.19168	68.4
272.19534	2.8
294.24353	2.8
313.07285	2.0
341.10950	6.0
356.24533	5.6
382.22305	7.5
400.23438	100.0
401.23895	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	401.0878
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.41993	0.5
55.57437	0.2
59.01242	0.4
63.55065	0.2
63.71378	0.2
65.18560	0.2
70.08089	0.2
77.03799	0.2
79.29639	0.2
85.96981	0.2
120.02080	0.2
120.99036	1.0
121.02823	100.0
121.06118	1.1
122.03145	2.4
180.05742	1.2
181.06511	6.6
204.49023	0.2
209.04527	0.9
225.05539	7.3
226.05896	0.2
234.03122	0.2
242.18370	0.2
269.08185	0.3
313.07205	33.1
314.07526	1.8
341.10983	0.5
357.01733	0.5
357.06189	10.3
358.06635	0.7
377.55603	0.2
400.38858	0.2
401.08804	29.6
402.09113	2.4
422.89880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23175	1.0
51.85489	1.4
55.01758	2.0
55.04437	1.0
57.03322	2.4
59.00963	2.4
59.01245	28.6
61.98683	1.8
71.01241	42.4
72.99148	2.1
73.02802	14.1
82.02854	2.2
83.01251	4.6
85.02808	21.6
85.03302	1.8
87.00740	5.4
87.04385	2.1
89.02294	13.8
93.03320	100.0
93.05537	1.8
94.03661	1.5
95.01254	2.1
96.86915	1.2
96.95874	1.9
97.02814	2.3
99.00747	4.5
101.02312	28.9
103.03871	3.5
113.02304	24.0
115.03899	4.3
119.03381	3.6
120.13092	1.4
125.02327	1.6
128.03444	1.5
130.08658	1.6
131.03403	5.8
136.03935	2.3
140.09755	1.4
143.03366	6.7
145.04951	1.4
157.08640	1.5
159.02924	5.5
161.04459	55.9
161.05804	2.8
164.03374	1.7
174.05603	1.3
177.05394	2.1
179.05524	2.9
179.06937	2.3
185.99117	1.5
199.12981	1.6
205.07170	5.7
228.75877	1.5
255.08763	9.0
287.10428	5.9
319.13977	3.9
331.09442	5.3
341.11020	14.1
363.12003	3.2
401.09979	1.1
401.14560	29.4
401.19696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87360	9.8
59.01246	81.6
59.06087	10.7
71.01252	20.7
78.89775	14.4
87.04383	17.0
88.08763	15.2
89.02307	42.3
89.64183	11.5
96.95876	20.5
99.06581	15.8
119.03300	13.2
121.02817	100.0
123.28692	17.5
171.57788	13.5
179.05658	14.3
184.00067	23.9
194.66832	16.3
235.38696	14.9
248.08002	30.5
248.58235	19.8
313.07443	22.2
323.49887	14.8
341.10919	55.7
361.89096	15.7
365.23224	18.3
393.06659	17.3
401.09000	21.6
408.56857	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35047	2.3
59.01244	20.4
62.60748	2.0
71.01227	8.4
85.02805	7.1
86.90657	2.5
88.09493	2.5
88.64565	3.0
89.02281	5.2
101.02301	6.3
102.05476	11.6
106.04100	3.0
106.06415	3.8
110.07090	4.3
119.03359	3.6
121.02837	15.9
122.03611	70.3
124.01502	4.5
125.39656	2.8
128.03404	12.0
129.01735	6.8
137.02315	7.8
146.06000	10.9
154.02606	8.0
158.06097	6.8
168.40839	2.7
174.09122	12.2
179.05534	3.9
200.07146	8.6
212.10754	20.9
213.46841	2.7
228.10292	11.8
239.17244	3.4
270.14957	5.9
272.09109	5.3
273.20786	3.9
296.12985	39.8
314.13889	4.6
340.11899	56.7
341.11047	8.3
342.11185	11.3
358.12915	6.5
384.10852	44.3
401.22299	5.0
402.11942	100.0
402.25244	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	402.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18994	0.7
52.32990	1.0
58.02824	1.2
59.01229	2.8
59.16255	0.8
61.98698	1.0
71.04867	2.5
74.02316	3.0
76.08296	0.8
79.99089	0.9
82.10552	0.8
84.04395	5.4
85.02740	0.7
85.06433	1.3
85.98690	0.8
90.02536	0.7
91.73390	1.8
97.79610	0.8
100.07508	1.8
102.05469	49.3
128.03409	59.1
146.04468	13.4
155.01706	0.8
155.14334	1.2
167.02745	0.8
182.86679	1.0
186.08447	0.9
202.51355	0.8
212.20137	1.2
224.20461	0.9
255.19589	4.7
266.25043	1.5
273.20718	43.8
278.44308	0.9
279.83554	0.9
299.22311	5.5
357.22812	0.9
358.25891	7.8
384.24020	7.3
402.25012	100.0
403.25302	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00610	1.0
51.83776	0.9
53.96256	1.2
59.01241	64.8
59.02411	1.5
60.83107	1.5
61.87340	1.3
61.98707	6.9
64.76083	1.2
71.01241	33.8
73.02799	2.5
78.95782	4.1
83.01256	2.1
85.02809	8.2
87.00774	2.1
89.02301	47.8
89.02821	2.6
99.04417	6.8
101.02299	21.6
101.02850	1.7
102.05475	2.2
113.02311	14.8
119.03364	20.4
124.05207	3.3
135.11696	3.6
143.03441	1.8
145.86328	1.5
148.05215	5.4
151.03960	2.4
157.37169	1.6
161.04501	2.6
161.09671	4.2
179.05423	8.4
179.10690	41.1
179.12230	2.2
197.06107	3.6
223.09715	100.0
224.10033	2.5
342.11380	1.8
362.39462	1.8
403.10522	3.8
403.16083	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	403.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12140	0.6
58.72772	0.6
59.01245	18.7
61.98690	7.2
63.69595	0.5
94.36330	0.6
114.27465	0.6
135.55028	0.7
321.24362	100.0
322.24646	6.3
403.24701	22.7
404.25287	1.2
412.48184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18166	0.7
56.72811	1.0
57.03316	0.9
59.01239	3.2
61.98687	4.2
65.37814	0.8
68.99650	1.0
71.01263	1.1
71.45216	0.7
72.99158	5.2
73.02804	0.7
82.02179	1.1
82.11628	0.8
91.73340	1.3
91.90421	1.0
106.04086	4.7
116.04913	1.7
119.58218	0.9
130.06468	2.2
132.08054	0.9
142.06505	2.1
144.04457	2.5
144.08064	1.6
145.05095	1.1
146.05992	46.3
147.06339	1.1
158.06003	2.0
160.07584	2.0
161.02359	1.0
172.07562	8.1
174.05513	58.6
175.05910	1.1
186.05463	1.0
187.06291	5.3
188.07126	1.8
199.06219	1.6
200.07036	1.9
212.10757	1.3
215.05771	2.0
219.05324	2.9
236.10834	1.1
238.12172	1.2
247.04886	1.0
248.10791	1.2
252.10286	2.8
254.11855	2.0
264.10278	8.4
278.11926	1.3
280.09763	2.0
294.11328	8.4
306.11438	2.4
308.09299	81.3
309.09647	4.1
310.10760	4.6
320.09293	2.5
322.10764	9.0
338.10379	27.8
348.08777	3.0
350.10355	100.0
351.10666	6.9
368.11353	8.7
403.23254	5.9
404.08884	1.4
404.23773	3.4
405.11963	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	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97371	1.7
61.98695	100.0
61.99828	1.2
78.95773	0.4
79.95595	0.3
117.20235	0.2
117.72617	0.2
131.95515	0.2
147.55121	0.2
155.57141	0.2
194.04820	0.6
213.34239	0.3
230.81215	0.3
261.61777	0.2
283.83963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.4
61.97233	1.0
61.98694	100.0
61.99987	1.8
82.02832	1.4
82.98925	0.8
90.48016	0.9
91.72836	1.2
106.04099	6.2
106.06481	9.5
108.02009	1.5
110.02335	0.8
125.80962	0.8
146.05977	1.3
146.59741	0.9
156.74440	0.8
173.10757	4.3
174.09103	5.9
185.09920	0.9
188.30759	2.0
212.10718	6.7
252.13661	0.9
264.95117	1.0
279.15103	5.3
280.13419	10.1
282.65036	0.8
297.16116	1.5
308.09399	1.3
323.14081	15.2
341.15082	80.6
341.76410	0.9
342.15500	4.8
350.10175	1.8
350.51721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1505
Annotation	(+/-)-6-Acetonyldihydrochelerythrine
Peak:m/z	Relative Intensity
53.71574	0.4
54.74018	0.8
57.21068	0.5
59.01263	2.1
61.98692	4.4
63.72594	0.5
64.83360	0.5
71.32675	0.6
72.99194	1.4
91.05393	9.8
93.03360	1.9
94.40702	0.6
95.29966	1.2
95.30525	1.1
106.04106	27.1
106.06489	9.2
106.07153	0.7
108.02037	4.8
112.11399	0.6
118.06474	4.7
119.04930	2.2
120.51358	0.6
125.57942	0.5
135.04407	1.1
138.03133	2.6
144.04436	12.3
144.05540	0.7
145.05229	7.8
147.04401	34.8
147.09285	0.6
148.04872	0.7
153.41478	0.5
153.85522	0.5
210.09348	1.1
210.12845	2.7
212.10756	49.4
213.11172	2.1
224.10762	24.9
225.11208	1.3
233.15404	1.1
236.10765	16.9
239.49213	0.6
250.08615	0.6
251.09514	24.3
256.09802	13.3
268.09644	0.7
314.15646	2.0
316.17133	2.0
342.15021	13.9
349.13239	0.7
359.87964	0.6
360.16095	97.1
361.16354	6.3
404.15060	100.0
405.11151	1.0
405.15891	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	404.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75992	0.7
56.92590	0.6
59.01241	100.0
59.02459	1.9
61.98700	3.0
63.57663	1.0
71.16893	0.6
72.99178	1.0
75.55526	0.8
83.41163	0.6
91.73395	1.2
93.08858	0.6
119.20261	0.7
120.73336	0.8
122.95464	0.6
257.22656	0.8
305.07071	0.7
405.12180	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	405.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	4.3
61.98686	2.5
66.03338	1.6
68.80349	1.1
70.59154	0.8
72.99163	3.6
75.04143	1.0
80.04910	6.0
83.19372	0.9
88.54845	0.8
95.03626	1.2
95.04861	1.7
96.95872	1.5
104.04951	2.0
106.06494	1.6
108.04426	7.6
120.04427	23.0
121.02820	3.1
122.05988	14.9
124.07602	1.2
128.03398	2.0
136.03908	2.5
138.05492	2.0
139.18777	1.2
148.03952	9.2
150.05464	3.6
156.08072	1.5
161.07047	1.4
164.03439	2.7
168.06561	9.0
170.09607	3.1
180.68626	1.0
184.11302	1.3
186.12801	9.9
192.02959	1.9
199.08717	6.3
200.09421	3.6
202.12248	2.0
213.10333	6.3
214.11053	2.9
224.05606	3.0
229.13441	100.0
230.13766	4.4
243.06598	2.1
255.11421	1.2
273.12445	30.4
274.12753	2.3
299.10422	1.9
317.11432	9.8
329.11472	1.2
343.09766	1.4
345.10876	1.8
349.12610	1.5
361.10422	11.4
373.10541	5.0
405.13361	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	405.1194
Annotation	resveratrol-3-O-glucuronide
Peak:m/z	Relative Intensity
51.03843	0.7
57.03305	2.3
59.01240	18.0
59.44157	0.6
61.98693	1.8
69.03304	1.4
70.27860	0.8
71.01235	12.0
72.78760	0.7
72.99171	4.7
73.02795	1.2
74.63344	1.2
75.00723	3.2
83.01231	1.0
85.02294	1.0
85.02807	18.5
86.00908	0.8
87.00732	15.5
89.02339	1.1
93.03294	3.7
94.08991	0.7
95.01260	3.7
97.02814	15.0
97.05297	0.8
99.00706	2.1
101.02264	1.0
103.00209	2.4
107.04884	29.1
108.02105	1.0
113.02305	20.4
115.00227	4.5
115.16623	0.7
121.02821	51.1
122.03603	29.1
122.06956	1.0
123.95621	0.8
124.01550	0.9
129.01770	1.2
137.02310	2.0
146.05914	0.8
150.03194	1.0
154.02570	2.1
157.01268	2.1
171.08052	1.4
175.02391	27.7
175.03918	1.4
199.07603	2.4
209.06007	1.7
227.07069	12.9
228.07845	1.4
229.08665	100.0
230.08955	3.7
242.09462	17.2
243.10248	23.0
329.23373	1.5
349.13229	0.9
387.10806	2.1
405.11929	59.7
405.24850	6.3
406.12305	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	405.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72496	1.3
59.01245	3.1
61.98687	2.5
64.17831	0.6
72.99155	1.6
75.89340	0.6
80.04906	2.4
85.37827	0.7
91.13517	0.6
91.72661	0.7
92.04897	0.7
96.95868	1.2
104.04921	56.5
104.07642	1.1
105.05286	0.6
108.04403	2.0
110.05973	0.9
113.02214	0.7
115.87856	0.6
120.04417	43.9
121.02856	1.0
121.04723	0.7
122.05994	8.8
122.55615	0.7
132.04434	1.1
138.05487	4.3
147.03142	2.7
148.03923	84.0
149.04332	2.0
150.05479	11.7
160.03937	11.6
161.04735	1.8
168.06572	17.7
192.03040	1.7
209.10722	0.7
222.80371	0.7
229.08641	1.0
239.12183	0.7
242.91183	0.8
243.06567	0.9
253.09807	2.1
255.11417	1.1
266.36526	0.7
269.09286	0.8
281.09302	3.1
285.12360	3.0
299.10373	2.3
301.11932	1.4
311.10495	1.5
329.11441	24.1
373.10425	100.0
374.10745	6.5
387.12195	1.2
405.11948	2.5
405.21387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33266	1.1
56.99543	0.5
59.01239	2.1
61.98700	1.0
66.44376	0.5
71.97231	0.5
72.99168	1.4
80.04903	1.4
92.04913	1.9
96.95886	1.1
97.36185	0.6
106.02829	0.7
108.04415	22.4
110.05979	1.3
116.40569	0.5
120.00935	1.3
120.04421	100.0
121.04757	1.8
122.05989	1.5
123.03152	0.7
124.03933	0.8
132.04396	1.0
134.51204	0.6
136.03918	5.7
138.05493	12.0
144.04433	0.7
147.03142	11.8
148.03941	19.1
150.04347	1.1
150.05498	13.1
150.06726	0.8
154.55595	0.6
154.65327	0.5
160.03906	0.9
162.01938	0.7
162.05540	0.7
163.02623	3.1
164.03436	6.7
168.06569	35.0
171.95982	0.5
176.03487	2.3
189.06602	0.8
190.05016	1.4
192.02992	3.9
204.06599	1.1
206.04541	25.7
220.06104	2.0
222.07730	2.1
224.05620	7.9
227.08243	0.9
241.09853	1.2
253.09836	2.1
257.09396	0.6
259.10876	0.7
267.07925	0.7
269.09357	1.1
281.09406	3.4
285.08893	0.7
287.10452	0.8
289.11990	3.2
297.08804	1.7
299.10349	2.1
311.10355	1.9
315.09854	0.9
317.11429	6.5
323.12411	1.2
329.11456	6.6
339.09903	1.1
343.09378	1.3
343.13025	1.5
344.10315	1.0
345.10916	7.0
357.11084	1.9
359.12860	0.9
373.10461	13.5
374.10773	0.6
375.11945	0.7
387.12173	8.3
405.13080	57.1
406.13284	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	405.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	2.7
59.01243	12.8
61.98691	12.4
68.99682	2.3
71.01227	2.8
72.99153	7.8
75.00740	2.7
77.11694	2.3
78.95744	6.0
82.02811	2.4
82.07041	2.1
85.02776	2.5
86.02337	11.0
89.02312	2.5
90.98450	11.1
94.02819	3.3
96.95868	20.6
96.96808	3.0
104.04907	18.3
106.02873	5.0
108.04433	14.0
116.19282	2.3
120.04426	31.3
121.02837	6.7
122.27818	3.0
124.03918	40.6
127.05767	5.8
128.03394	22.6
132.04424	100.0
136.03914	27.5
138.05501	10.7
141.91219	2.8
148.03920	50.7
154.91711	5.4
160.03929	3.0
166.04996	36.4
171.07701	4.5
176.03441	27.8
176.73647	2.9
188.03577	4.2
189.05815	7.2
190.05064	3.2
192.02892	7.1
192.99104	2.9
208.06071	26.3
211.78395	3.0
215.06824	2.8
220.05981	3.0
224.05550	4.4
227.13910	18.9
235.08817	5.7
237.10251	5.9
243.06625	3.0
249.06790	7.3
250.07452	3.3
251.08235	7.4
263.08246	7.6
265.09903	17.9
269.09241	16.8
278.06882	10.1
279.07724	30.1
281.09280	15.5
285.04007	6.1
289.93130	3.4
293.09348	10.8
305.14114	3.6
306.06326	2.6
307.07117	3.6
309.08798	9.2
311.10364	6.2
313.08255	37.6
325.08380	13.2
327.09763	3.8
337.08267	17.5
339.09851	73.2
340.10324	3.8
345.10965	45.5
346.11444	4.4
355.09369	25.1
357.10944	11.9
369.10883	7.9
387.12070	57.4
403.28665	2.9
405.12747	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	405.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	6.1
61.98686	8.0
66.31416	1.9
68.99664	2.7
70.48707	1.5
71.01238	2.0
72.99170	4.2
78.95759	3.5
80.04932	4.0
86.02328	2.6
87.70033	1.6
90.98460	2.8
92.04892	1.8
94.02829	2.0
96.95868	10.9
101.02293	3.1
104.04922	19.5
105.86427	1.7
106.02858	7.4
108.04420	18.4
110.05986	2.5
113.14610	1.7
116.74093	1.7
120.04416	31.8
121.02831	5.6
124.03911	38.4
128.03406	8.3
132.04428	100.0
136.03912	25.1
138.05481	9.0
148.03940	46.6
154.91798	5.7
160.03940	5.4
161.44495	1.9
166.03728	3.1
166.05006	35.4
171.15025	1.8
176.03427	25.0
180.99399	2.0
188.03383	2.7
189.05853	2.1
190.04974	2.7
192.06860	1.8
205.15909	2.3
208.06091	23.0
209.10866	3.0
209.12798	1.9
213.10460	1.9
216.54495	1.8
222.07956	2.1
224.05630	2.5
227.13994	9.7
235.08748	5.4
237.10356	5.9
239.08154	4.0
241.09818	3.6
243.06590	4.5
245.09288	2.6
249.06721	6.8
250.07564	4.1
251.08337	2.9
254.58623	1.8
263.08276	7.7
265.09891	22.5
269.09271	21.1
278.06955	6.6
279.07733	32.9
281.09256	10.4
283.57169	1.7
285.04062	7.5
293.09363	9.1
307.07230	4.8
309.08823	6.4
310.86731	1.8
311.10519	7.5
313.08359	37.4
325.08337	13.3
337.08432	14.8
339.09885	65.9
340.10104	3.9
345.10947	37.3
355.09445	27.2
357.11035	8.5
369.11057	5.3
387.12003	45.5
388.12503	2.9
405.12207	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02203	2.3
57.03317	100.0
57.04549	1.8
59.00064	1.7
59.01243	86.3
65.25976	1.0
67.16793	1.0
68.51617	1.0
71.01236	16.8
71.55097	1.2
72.99171	1.7
73.02814	8.2
81.03318	2.1
83.01238	4.2
85.02814	10.8
89.02303	1.6
99.00748	3.0
99.01822	1.3
99.04376	91.8
101.02301	44.1
113.02306	8.0
125.02326	22.9
128.03412	1.4
143.03400	2.5
159.02922	1.8
161.04407	9.0
193.61790	1.3
198.20169	1.2
199.43867	1.1
233.15442	2.6
261.13428	48.0
262.13892	1.9
269.04529	3.0
303.14590	3.4
343.17621	2.2
405.11801	3.7
405.17606	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01746	0.4
54.62167	0.5
59.01244	5.5
63.04860	0.5
72.99165	24.1
73.02803	0.9
75.00733	19.3
93.89368	0.6
103.43790	0.7
117.00310	1.3
163.11292	0.6
189.43976	0.7
191.14438	0.6
233.15474	0.8
247.16988	0.9
265.05563	0.6
323.18655	100.0
324.19012	5.5
405.11951	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	405.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68070	1.7
59.01242	100.0
61.98692	16.7
64.41158	1.9
71.01248	2.0
72.99160	8.9
83.53632	2.0
90.34056	2.2
100.31577	1.9
104.86059	1.8
109.46255	1.8
109.52598	1.7
115.62606	1.8
118.78357	1.9
149.05981	1.8
164.41254	2.1
171.92775	2.1
205.15848	1.9
217.15787	2.3
233.15463	3.0
261.15005	3.2
261.20987	1.9
264.84662	1.9
305.13928	5.2
306.00305	2.2
405.12024	11.5
410.03589	2.1
411.32919	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	405.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.3
66.43422	1.2
72.99160	5.6
84.99541	1.2
89.20160	1.2
91.73313	1.4
98.74608	1.1
104.73097	1.4
111.39903	1.3
114.02283	1.4
116.48158	1.5
119.35140	1.3
130.11586	1.3
131.41248	1.4
205.15921	1.8
206.72229	1.3
215.82065	1.6
218.67764	1.7
222.75029	1.4
233.15491	2.1
235.35638	1.6
261.15057	2.8
300.16885	1.8
305.13898	2.1
349.12933	2.3
375.17532	4.3
388.33502	1.5
390.19864	23.4
391.20053	2.6
405.12213	6.9
405.22278	100.0
406.22369	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	405.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72073	0.2
57.03319	0.2
58.99871	0.7
59.00208	1.1
59.01241	100.0
59.02411	2.0
60.01581	0.5
61.98690	0.5
71.01241	2.9
72.99176	0.9
75.65386	0.3
91.72777	0.5
97.02789	1.1
101.38143	0.2
103.07088	0.2
109.02840	0.3
119.86775	0.2
123.04413	0.8
135.04440	0.3
140.37689	0.2
142.25357	0.3
163.11218	0.7
178.29184	0.3
233.15587	0.5
258.12595	0.8
283.20740	2.5
305.13968	0.6
309.18613	0.3
327.19684	11.8
328.20081	0.7
345.20914	1.8
349.12689	0.3
405.11746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81252	0.1
58.99983	1.7
59.01243	100.0
59.02332	1.5
60.01582	0.6
61.10203	0.1
61.98705	0.2
72.99175	0.6
108.42558	0.1
130.31277	0.1
198.30182	0.2
205.16003	0.2
223.20708	0.2
225.22220	2.6
233.15466	0.2
253.21796	0.1
261.14908	0.2
271.13434	0.2
271.22809	8.8
272.23236	0.3
289.14691	0.2
305.14069	0.2
349.12952	0.3
381.33081	0.2
405.11963	0.8
405.30371	0.2
429.04578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38166	0.1
51.14382	0.2
53.04423	0.1
59.00119	1.8
59.01243	100.0
59.02533	1.5
60.01580	0.5
61.98685	0.3
72.99173	0.8
77.98864	0.2
94.03547	0.2
94.49556	0.2
118.23437	0.2
132.96405	0.2
135.63914	0.2
168.26228	0.2
204.11523	0.3
225.22220	2.0
233.15477	0.4
243.14165	0.2
271.22803	7.2
272.23337	0.3
305.14014	0.3
345.29932	0.3
349.13022	0.3
349.39713	0.2
405.11981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51374	0.9
52.51589	0.4
57.03311	0.7
58.02840	2.7
59.00970	0.5
59.01245	6.1
69.03301	0.5
71.01233	0.6
72.99165	0.4
74.02330	1.8
76.73295	0.4
82.02818	0.7
83.04879	0.7
84.04411	5.6
85.02803	1.1
95.04893	0.7
99.04379	0.7
100.03883	0.5
100.07549	2.9
102.02824	0.9
102.05468	66.5
103.05807	1.1
109.02826	2.7
109.03937	1.5
112.32478	0.4
119.04916	0.9
120.05634	0.5
121.02840	1.7
121.06470	1.1
122.03597	0.9
123.04398	0.4
125.07069	1.6
125.09654	0.4
127.05003	6.9
127.99702	1.2
128.03407	100.0
129.03757	0.9
130.08617	0.5
131.04898	0.6
135.04430	2.2
135.08015	0.6
145.06064	6.1
146.04477	17.6
147.07988	0.6
149.05922	0.8
149.09590	0.5
151.07544	0.9
156.06679	0.5
159.08081	0.7
161.05991	1.4
161.09615	6.9
162.06779	1.8
163.07494	0.8
163.11172	0.7
168.15149	0.4
172.08907	0.5
173.09583	0.7
175.07539	0.4
179.10680	7.5
182.08177	0.6
187.11205	4.6
188.11690	0.5
189.12808	1.2
191.14386	0.5
192.11548	0.6
199.11217	1.0
205.12259	0.6
209.08121	0.9
210.08832	0.5
215.14377	20.6
216.14772	1.3
217.12238	0.9
220.53067	0.4
231.13921	0.5
233.15445	6.8
241.12326	1.5
246.94217	0.4
258.15234	0.5
259.10846	0.8
259.13412	10.0
260.13907	0.5
261.15009	0.7
275.65842	0.5
277.14456	29.4
278.14783	1.7
300.19678	0.8
344.18634	1.7
362.19800	2.9
370.16446	0.6
388.17700	15.2
389.21094	1.4
404.22440	0.4
406.18738	83.4
407.22678	11.3
410.25751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2238
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
58.02829	2.9
59.01248	4.6
60.78469	1.0
61.98687	1.5
70.92422	0.8
72.99169	2.6
91.72793	0.9
95.04868	1.7
96.04400	4.4
98.05972	8.6
114.05424	1.2
114.09130	4.8
116.07034	48.6
140.06985	1.3
142.04984	43.2
142.06099	2.1
146.78494	1.0
157.71805	1.0
160.06047	43.0
163.11229	5.7
165.12740	4.2
189.12802	1.9
191.14346	3.3
245.15700	1.4
246.14084	1.8
263.16559	10.6
281.09109	1.0
326.21307	2.5
344.22308	2.7
351.14429	1.3
362.23486	4.9
388.21124	2.3
406.12198	3.2
406.22366	100.0
407.22702	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	407.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45821	5.8
57.49904	5.7
59.01238	25.1
59.32546	7.5
60.16173	5.6
61.98689	14.8
64.34581	6.0
70.02837	16.9
71.01229	12.9
72.99162	30.0
74.02322	7.9
75.00731	26.3
78.95760	22.8
79.82951	7.1
89.02281	8.2
96.95879	9.5
97.23104	7.2
100.00246	7.0
105.60796	7.1
109.03959	8.9
110.02374	13.0
113.02290	8.4
114.01834	22.6
116.04958	9.6
118.06503	8.8
118.84784	7.7
121.02895	8.1
123.04384	64.8
127.04984	8.8
130.90538	7.6
135.02875	51.3
147.04440	8.0
153.02893	11.1
160.02467	15.1
160.03760	9.1
169.02524	43.3
169.05037	6.5
174.05562	8.5
175.07401	9.6
176.03418	9.2
177.13852	7.9
183.99089	11.2
199.76132	9.4
200.07016	9.7
202.08659	100.0
212.89355	9.4
217.16049	10.2
226.00331	20.2
229.15990	9.3
245.08067	58.0
245.15460	14.7
273.08878	8.8
289.08368	31.2
306.25394	8.3
347.09326	37.7
351.14499	45.2
352.51010	8.1
371.22974	20.5
407.13220	37.5
407.18857	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	407.1351
Annotation	5,3',4'-Trihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.43120	0.1
57.03309	0.2
59.01230	0.3
71.01259	0.2
72.99188	0.1
73.02816	0.1
73.13862	0.1
81.03325	0.2
85.02802	0.1
88.43650	0.1
89.67253	0.1
93.03317	2.0
95.04877	0.3
97.02812	0.2
101.02312	0.3
104.04031	0.2
108.02034	14.7
108.05176	0.2
109.02863	1.5
121.02827	14.6
121.06574	0.2
122.03614	14.6
123.01002	1.3
123.04390	100.0
123.08282	1.0
124.01499	0.2
124.04724	2.5
125.02346	0.1
135.04378	0.3
137.02281	0.7
143.82840	0.1
151.77205	0.1
154.02625	0.4
199.18718	0.1
203.89543	0.1
227.07166	0.2
240.44719	0.1
244.07332	0.2
245.08180	75.5
246.08539	3.3
307.38403	0.1
349.93091	0.1
362.16464	0.2
407.13516	7.6
408.13892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06186	0.5
56.31448	0.5
57.02232	1.8
57.03317	77.6
57.04548	1.3
58.03665	0.6
59.00092	2.1
59.01242	100.0
59.02552	1.4
71.01238	15.3
72.99165	0.6
73.02805	6.1
77.06951	0.5
81.03315	1.7
83.01237	3.8
85.02802	6.8
89.02300	9.6
94.77162	0.7
95.01237	1.1
99.00746	1.7
99.01847	1.2
99.04376	83.4
100.04708	1.0
101.02304	32.3
101.05928	0.8
103.60969	0.8
108.14535	0.5
108.72173	0.6
109.06066	0.6
113.02304	8.0
119.03391	4.0
119.04877	0.6
125.02314	28.9
126.02666	0.5
131.03416	0.7
142.01527	0.7
143.03387	3.1
159.02821	1.1
161.04445	6.5
199.29517	0.7
202.37766	0.6
224.46217	0.8
237.45953	0.6
263.11386	27.8
285.04050	1.6
305.12512	5.5
345.15475	1.5
407.15726	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22237	0.5
54.70358	0.6
55.01756	0.7
57.02060	1.2
57.03316	100.0
57.04438	2.0
59.01242	87.6
59.02422	1.3
71.01241	13.5
72.99184	1.3
73.02801	8.2
81.03335	1.5
81.90086	0.7
83.01242	4.5
85.02808	8.8
85.03305	0.8
89.02323	2.2
91.33765	0.7
95.01244	1.4
99.00758	3.4
99.04375	85.3
99.06984	1.3
101.02305	45.1
101.04979	0.8
102.05470	1.3
113.02311	7.3
125.02322	22.5
127.05002	1.8
128.03372	1.6
143.03416	2.6
145.06122	2.3
159.03020	1.1
161.04434	6.9
263.14990	45.8
305.15970	4.7
345.19589	1.9
407.18851	9.2
408.19772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25156	1.9
54.55891	1.8
58.61005	1.8
59.01236	4.8
71.01222	3.9
72.02023	3.8
72.99152	2.9
73.02828	3.4
74.96038	37.2
87.04372	23.5
87.95740	2.4
89.94753	9.8
95.04862	2.1
99.04363	2.1
115.05910	2.4
139.07539	7.1
142.80144	2.5
143.95108	2.1
153.09109	7.0
183.01137	32.2
233.22771	7.1
249.74628	2.7
258.28690	2.9
259.20715	13.3
261.22238	7.4
267.24200	2.2
275.24002	2.4
277.21680	6.7
287.23779	7.3
305.24850	40.7
317.16461	27.4
325.18427	100.0
326.18677	5.1
335.17651	11.0
349.23926	5.4
351.14615	6.7
363.14157	3.0
363.20773	49.9
383.65848	3.1
407.14453	3.1
407.19727	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	407.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59570	9.7
59.01244	100.0
61.98689	27.8
73.91959	9.6
78.95726	13.5
85.34341	9.0
152.99486	39.8
154.75708	10.9
162.46193	10.4
167.30377	10.7
168.64178	10.5
205.78947	10.4
222.69124	11.0
254.46796	10.9
329.21091	33.1
351.14490	16.0
370.69467	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	407.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27479	0.1
57.03297	0.6
58.02839	0.4
59.01251	1.2
61.95057	0.1
68.01863	0.2
71.01237	0.7
72.00757	0.7
72.64464	0.2
74.02327	2.6
82.02845	1.3
84.04410	4.9
85.02802	0.3
86.02333	1.7
86.28790	0.2
87.00790	0.2
89.02327	0.9
92.98021	0.3
95.66512	0.2
96.90636	0.2
96.95867	0.3
99.04388	0.9
101.02328	0.8
101.07088	0.3
106.95186	0.2
109.26624	0.2
113.02281	0.4
113.05981	0.2
116.92704	0.2
119.03464	0.2
123.04370	0.3
125.02313	0.2
128.03407	8.4
129.03731	0.3
140.10672	1.0
146.08130	1.1
149.21873	0.2
152.10658	0.5
153.05197	0.5
153.10194	0.5
154.12221	0.3
155.67050	0.2
166.12274	0.4
171.07750	0.2
179.03177	7.3
179.11865	0.6
180.03426	0.2
181.13330	1.1
183.14951	3.2
184.35982	0.2
189.05829	0.2
191.05367	0.2
209.12897	9.0
210.13229	0.3
227.13976	100.0
227.22803	0.9
228.14293	3.4
245.08159	0.3
277.12274	1.2
342.88266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30236	0.7
56.88766	1.1
58.02565	0.6
58.02839	11.5
58.04139	0.3
59.01222	1.6
66.03342	0.6
67.02863	0.7
71.01227	1.1
72.04362	0.4
72.99170	0.7
74.02317	2.6
80.02532	0.8
81.03305	0.3
82.02846	1.1
83.05975	1.4
84.04402	6.1
91.05098	0.4
95.04879	0.8
97.03913	0.5
97.06432	0.4
98.02307	0.6
99.04366	0.4
101.07057	4.8
102.05466	3.2
103.05762	0.7
106.04021	0.5
107.06002	0.4
109.03934	11.5
109.06460	0.4
111.07970	0.4
117.06960	0.3
120.05685	0.6
123.04414	0.7
125.03441	3.1
125.07074	15.9
127.01263	0.6
127.05002	44.6
128.03409	15.3
128.05348	0.7
129.03722	1.2
133.06447	1.0
143.08130	2.4
145.01546	0.8
145.06067	60.3
146.04514	0.4
146.06323	0.5
147.08006	1.0
149.05968	0.4
149.09631	2.2
153.09007	0.4
161.09621	0.6
163.07414	0.4
163.11192	3.9
165.28072	0.4
177.09134	1.7
179.10661	0.5
189.12749	9.3
215.14359	0.7
216.14757	0.6
217.15913	6.1
243.13742	0.5
261.14987	3.9
261.88202	0.4
262.92291	0.5
277.14600	0.5
278.14832	1.5
289.22992	0.5
294.33423	0.4
351.14896	0.6
363.22983	1.5
389.20923	6.7
407.21964	100.0
408.22180	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	407.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30252	0.8
52.56181	0.6
56.88800	1.2
56.89046	0.7
57.03321	2.3
58.02842	11.1
59.01244	5.3
61.98688	0.5
63.20078	0.5
67.02892	0.7
71.01248	1.5
72.99173	0.9
74.02318	3.1
81.03316	0.8
82.02844	0.9
83.06008	1.6
84.04403	5.8
86.02345	0.8
91.88052	0.5
95.04903	1.1
99.04369	2.6
100.07565	1.3
101.02309	1.3
101.07066	4.4
102.05466	15.2
102.06104	0.8
103.05787	3.9
109.03931	11.5
119.04908	0.5
121.06437	0.6
123.04413	0.8
125.02390	1.2
125.03452	2.6
125.07079	16.1
127.01001	0.7
127.05004	45.6
128.03406	34.3
129.03749	5.5
130.58698	0.6
142.03738	0.5
143.08170	3.1
145.01341	0.7
145.06070	63.2
146.04497	3.0
146.06441	0.9
147.04829	0.9
147.08023	0.9
149.09637	1.4
150.05583	2.3
161.04478	0.5
161.09673	1.5
162.10037	0.7
163.11195	4.4
165.09204	0.8
177.09221	2.5
179.10754	1.3
180.11142	1.5
188.11639	0.6
189.12732	9.1
205.12442	0.6
207.47162	0.6
215.14568	1.1
216.14832	2.9
217.15936	7.3
217.17740	0.7
233.15584	0.9
243.14081	0.9
245.13629	0.8
256.13632	0.8
260.13809	0.8
261.14969	3.6
263.15375	0.9
277.14642	1.8
278.14859	5.2
289.23007	0.6
339.10229	0.7
363.19836	0.9
371.12509	0.7
389.21490	6.9
406.19025	0.8
407.22180	100.0
408.22537	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2441
Annotation	Asebotoxin II
Peak:m/z	Relative Intensity
51.07742	2.3
58.21201	2.5
59.01242	31.9
63.57369	2.3
69.03297	8.9
71.01234	7.3
72.99162	9.0
73.02812	3.5
74.34911	2.5
76.17529	2.7
78.97266	2.7
82.36445	2.7
83.04884	4.4
84.47752	2.5
88.21500	2.7
90.59278	2.9
91.03867	8.0
97.02816	9.8
123.08076	5.1
127.07510	5.4
137.40596	2.8
141.09048	18.6
153.09134	4.3
181.12289	3.6
189.12816	3.6
191.10622	3.9
203.91461	3.8
207.13841	5.0
208.14517	3.3
217.15985	10.2
229.15938	4.6
251.35880	3.0
271.20724	13.1
271.46970	3.6
272.02148	3.6
289.21738	8.7
297.18552	3.6
309.20679	4.6
315.19705	28.0
333.20761	100.0
334.21039	3.9
351.14368	11.6
407.13824	9.2
407.24768	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	407.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16195	1.1
57.03297	2.0
59.00042	1.5
59.01241	100.0
59.02555	1.3
60.81272	1.1
71.04884	2.8
74.82184	1.3
91.00555	1.5
96.95870	2.5
97.02818	7.3
119.08472	1.5
121.10081	1.8
122.03588	1.6
226.63635	1.6
267.21207	1.5
271.17096	12.6
311.20303	6.4
325.23819	2.0
329.21234	30.1
330.21368	2.2
351.14502	2.1
402.67374	1.8
407.13651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01714	0.2
57.03321	0.3
57.23384	0.2
58.33068	0.2
59.00135	1.6
59.01242	100.0
59.02524	1.5
60.01575	0.5
63.04706	0.3
69.03317	1.0
71.01247	1.2
79.71301	0.2
90.68285	0.3
95.07652	0.2
97.02808	7.3
99.04391	0.4
103.35375	0.2
104.43743	0.2
107.08544	0.2
115.03891	0.5
121.10091	0.3
122.03548	0.2
135.04395	0.4
177.12964	0.3
177.48720	0.4
215.14470	0.4
231.13954	0.4
259.13422	1.2
285.22308	1.2
306.38736	0.3
311.20230	1.4
311.88864	0.3
329.21240	25.5
330.21503	1.9
358.53625	0.2
413.30124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
61.98695	11.2
72.99169	14.2
75.52416	7.0
80.62083	8.1
85.09508	9.1
110.43386	8.2
136.24712	10.5
217.15956	8.6
245.15388	11.0
300.61722	10.4
306.37421	11.2
319.15375	10.5
325.82394	9.8
351.14557	21.8
407.12915	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	407.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	51.5
67.79512	19.9
72.99163	46.1
83.10195	22.1
83.10641	24.2
91.73421	45.9
107.54874	25.9
125.35035	21.1
125.61065	23.9
183.01187	38.2
272.90726	29.9
277.21948	32.3
325.18466	100.0
351.14432	86.8
407.13297	50.8
433.23499	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.0
60.14530	0.7
61.98689	0.9
85.02792	7.8
88.27937	1.0
93.03293	2.4
96.95857	1.2
98.95464	1.1
101.02291	6.5
102.05473	2.8
106.04109	7.6
106.06554	1.2
108.02000	1.3
111.48135	0.9
116.04915	1.0
118.06485	3.9
119.04907	2.3
128.03427	2.9
129.00827	1.0
129.01813	21.5
145.05193	1.1
146.09656	1.0
146.26042	0.9
150.05461	1.8
156.08110	1.2
170.09738	1.4
174.94063	1.0
191.09419	1.4
194.09737	1.3
197.09715	1.2
200.31584	1.0
209.40030	0.9
210.09235	4.0
212.10757	14.3
222.09184	1.6
223.11371	1.1
224.10733	1.9
234.08925	7.3
237.08876	6.1
248.10783	3.0
250.12323	5.5
252.13828	1.7
256.09781	19.1
260.10754	2.9
262.12439	1.5
272.10599	9.4
274.12137	32.3
275.12589	1.7
278.08115	5.9
278.11313	1.0
279.16061	2.0
284.10696	1.2
300.10114	3.8
302.11624	2.3
303.78128	1.0
308.09372	1.3
318.11212	4.7
320.12326	2.0
328.09686	5.6
344.09036	7.0
346.10666	14.2
364.11752	17.6
365.12030	1.8
390.08969	1.3
390.19492	1.3
408.10678	100.0
408.20142	4.1
409.11050	7.6
409.18484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.9
57.03319	59.9
57.04435	1.2
58.03651	6.7
59.01242	55.3
59.24618	1.0
60.01578	2.4
61.01331	0.8
71.01241	8.1
72.01577	1.0
72.55135	0.9
73.02454	1.0
73.02796	5.1
83.01246	2.9
85.02790	7.4
85.60437	1.1
89.02307	1.4
93.03301	3.8
95.01253	1.1
99.00748	2.3
99.04379	47.0
99.07001	1.0
100.01044	1.2
100.04715	9.4
101.02310	28.6
102.02642	4.2
102.05463	4.5
104.73303	1.2
106.04099	13.7
107.04892	28.6
108.02036	2.4
108.42113	1.0
109.02843	1.1
113.02316	4.9
121.02812	3.1
125.02314	14.3
126.02681	1.7
128.03412	6.4
128.81891	1.0
134.03610	2.0
137.09818	1.0
150.05507	7.1
161.04443	4.0
171.08078	1.7
174.26581	1.1
208.60979	1.0
213.09151	36.3
217.49313	1.2
257.08197	100.0
258.08575	4.4
263.15045	17.8
264.15280	10.3
279.15961	2.3
328.37558	1.2
331.38165	1.1
340.80191	1.1
407.19116	3.7
408.15182	1.5
408.20071	9.4
409.17926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60723	0.9
52.60931	0.5
58.02845	2.5
59.01015	0.4
59.01251	4.4
61.74755	0.5
71.01228	0.8
72.86585	0.4
74.02340	1.5
82.02827	0.5
84.04398	5.2
92.06732	0.4
95.04877	0.8
100.03900	0.6
100.07549	5.6
101.12514	0.4
102.05466	67.3
102.08121	0.8
103.05766	0.7
106.04108	0.5
121.06509	0.5
128.03407	100.0
128.07182	1.4
129.03752	1.2
133.06512	0.4
144.98677	0.4
146.04480	16.5
147.08028	0.5
149.05983	0.5
149.09593	1.1
153.09108	0.5
161.09689	0.6
163.07547	1.3
163.11182	6.4
176.11964	0.9
177.09164	2.0
179.10680	1.4
181.12209	2.3
189.12788	2.5
192.11470	0.6
201.12775	0.6
205.12241	1.3
207.17459	1.7
217.15935	10.6
218.16257	0.5
222.21458	0.4
235.17064	2.4
243.13850	1.4
261.15024	3.4
278.17319	0.5
279.16022	39.2
280.16382	1.5
284.91653	0.4
320.22247	0.5
346.20340	1.3
364.21329	7.8
369.10645	0.6
390.19263	15.2
390.24384	0.9
391.19724	0.7
408.20316	74.3
409.20639	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	408.2028
Annotation	Isariotin C
Peak:m/z	Relative Intensity
52.60722	1.7
53.43705	0.7
57.95695	0.6
58.02840	3.7
59.01239	10.4
61.74768	0.6
65.40859	0.6
74.02334	1.3
79.95088	0.7
84.04397	8.5
95.04889	1.1
97.96513	0.7
98.02300	1.4
100.03948	0.7
100.07530	6.6
102.02780	1.4
102.05461	76.7
103.05774	0.9
103.34782	0.6
120.05761	0.8
127.99612	1.5
128.03406	100.0
129.03778	1.5
135.08043	2.1
137.09596	5.0
145.06441	0.8
146.04469	16.1
146.07222	0.8
161.09579	3.9
163.11172	8.6
181.12253	1.1
187.07602	1.0
187.11121	1.2
189.12775	2.0
191.14340	1.4
207.14037	0.8
217.12352	1.7
217.15909	5.0
235.13336	6.5
243.13963	1.4
260.16592	0.9
261.14954	9.3
279.16028	38.6
280.16257	1.8
284.56238	0.8
285.04187	1.2
302.21658	0.8
302.94235	0.8
303.65222	0.8
320.18579	1.1
334.03943	0.8
346.20035	1.4
364.21249	8.4
390.19247	18.7
391.19562	1.6
408.20313	99.1
408.81213	0.9
409.20685	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	408.2029
Annotation	Isariotin C
Peak:m/z	Relative Intensity
52.60723	1.0
52.60931	0.6
58.02831	1.8
59.00967	0.7
59.01244	10.4
59.33384	0.4
65.81949	0.4
69.03310	0.4
72.04410	0.4
74.02318	1.5
84.04401	6.7
85.02801	0.9
88.40804	0.4
95.04884	0.7
97.06450	0.4
100.03899	1.0
100.07537	4.0
102.05464	73.3
103.05817	0.9
109.02809	3.8
109.06451	0.6
121.02869	0.4
127.11130	0.6
127.99380	1.0
128.03407	95.6
129.03720	1.4
129.50011	0.4
132.16901	0.4
135.04405	0.9
146.04475	18.6
147.08041	0.4
149.09605	0.8
151.07538	1.7
161.09593	0.6
163.07600	0.6
163.09805	0.8
163.11177	14.7
164.08321	0.7
164.11607	0.5
165.09142	1.0
189.12761	5.6
193.15891	0.6
199.14796	0.5
210.08929	0.7
217.15929	11.5
229.70488	0.5
233.15491	0.7
235.17062	1.6
243.13895	2.2
245.79387	0.5
261.14972	16.7
262.15237	1.1
276.45435	0.6
279.16016	45.5
280.16388	1.6
289.52921	0.4
316.81085	0.4
320.22513	0.6
329.12601	0.5
346.20340	5.7
364.21365	4.0
390.19254	16.1
391.20087	0.8
394.19638	0.4
408.20303	100.0
409.20569	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	408.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36003	0.5
59.01236	3.1
59.06900	0.4
61.97343	1.5
61.98692	100.0
61.99884	1.5
66.26495	0.4
73.54091	0.4
75.39915	0.4
75.69297	0.5
80.71776	0.5
91.28214	0.5
125.45710	0.5
131.12938	0.5
205.95755	0.5
212.84512	0.5
234.87820	0.5
243.40683	0.5
336.43973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36784	0.5
57.02260	1.6
57.03318	93.9
57.04502	1.7
58.12539	0.5
59.01244	100.0
59.02485	1.4
61.31669	0.6
71.00871	1.4
71.01241	18.2
73.02811	7.4
73.48818	0.6
81.03303	1.6
83.01256	5.1
85.02811	10.9
87.00731	1.4
89.02277	2.0
90.77648	0.7
95.01192	1.4
97.02787	1.5
99.00739	4.3
99.04379	89.3
99.07012	1.3
100.04697	0.8
101.02304	46.8
103.07462	1.5
111.00642	0.9
113.02318	9.1
116.92680	1.3
117.01730	0.7
121.02678	1.0
125.02320	28.8
133.04877	1.0
143.03392	3.8
159.02748	2.2
161.04453	14.1
199.96577	0.7
202.08427	0.8
202.49043	0.7
245.08939	1.6
245.11189	0.7
247.11470	0.9
265.12418	33.4
265.15509	2.1
266.12964	1.2
307.08789	1.4
307.13235	7.8
347.16122	1.9
365.17499	0.9
378.84067	0.8
391.03513	1.0
409.15958	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	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02211	2.2
57.03316	96.2
57.04531	1.7
58.03641	1.5
59.00077	2.0
59.01242	100.0
59.02525	1.9
61.00510	0.7
65.91228	0.8
67.49369	0.9
71.01236	19.6
73.02804	7.5
75.00735	1.1
75.59624	0.8
77.30715	0.7
77.56416	0.7
81.03307	1.6
83.01243	5.3
85.02802	10.5
89.02293	4.7
95.01240	1.4
97.02850	1.1
99.00735	3.8
99.01865	1.4
99.04374	94.5
99.07185	1.0
100.04713	1.2
101.02303	48.7
101.05160	0.9
101.72757	0.8
102.02673	1.0
102.06805	0.9
103.07474	1.3
113.02314	9.8
116.92719	1.6
119.03358	1.7
125.02316	30.6
143.03384	3.8
143.27875	0.9
159.02888	1.9
161.04445	15.3
183.10872	0.9
208.56113	0.8
230.40919	1.0
265.12952	41.7
266.13275	2.2
288.08487	0.9
293.37485	0.9
299.69138	1.0
307.13959	8.3
347.17191	2.5
409.17047	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	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01246	2.1
61.77208	0.8
61.98695	1.3
78.93895	1.2
78.95760	68.7
96.96807	6.5
123.67514	1.0
148.66156	0.9
150.97955	2.1
152.94531	1.3
152.99477	100.0
164.83578	1.0
171.00594	2.2
255.23329	2.4
295.55457	1.0
367.15717	1.1
409.23630	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	409.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77585	0.5
59.00133	1.7
59.01241	100.0
59.02504	1.6
61.28097	0.5
61.98690	0.9
63.58501	0.7
70.62592	0.5
78.95771	1.1
96.95863	1.0
98.95469	0.7
125.82555	0.6
136.56844	0.6
170.80260	0.6
173.64861	0.7
174.87776	0.6
192.41986	0.6
197.46384	0.6
227.20172	3.9
231.37688	0.6
290.34940	0.7
311.16919	1.3
321.22760	0.8
325.18649	1.4
327.18164	1.1
409.23898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49358	0.4
59.00107	1.9
59.01242	100.0
59.02545	1.3
59.64310	0.5
60.01593	0.9
63.57653	0.9
78.95765	2.1
150.74319	0.4
152.99492	4.2
185.00694	0.7
269.12152	0.5
273.78690	0.6
325.18561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64793	1.3
56.99395	1.2
57.03312	2.9
59.01242	100.0
69.00669	1.2
69.01371	1.4
73.02819	1.7
75.18360	1.3
76.87618	1.2
90.77950	1.2
96.95880	3.4
97.02819	4.4
103.00193	1.5
113.09635	2.1
183.01129	3.6
311.16748	9.1
313.21826	3.7
331.22879	28.7
385.35019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	50.5
67.47160	38.5
78.95751	63.7
107.98673	39.5
143.05092	42.7
152.99457	100.0
300.49338	50.8
360.04941	56.1
370.12875	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	409.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	50.5
67.47160	38.5
78.95751	63.7
107.98673	39.5
143.05092	42.7
152.99457	100.0
300.49338	50.8
360.04941	56.1
370.12875	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	410.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62001	0.6
59.01236	2.1
61.97404	1.8
61.98693	100.0
62.00126	1.2
84.64475	0.5
88.14507	0.5
93.27103	0.6
113.87689	0.5
198.70631	0.7
249.56175	0.6
329.26959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93772	0.2
58.70250	0.2
59.01244	2.3
60.01571	0.3
60.10330	0.1
61.01674	0.4
61.97534	1.3
61.98694	100.0
62.00032	1.6
66.87293	0.2
69.99180	0.2
75.53863	0.2
92.29979	0.2
99.64351	0.2
107.85236	0.2
116.96636	0.2
153.11038	0.2
313.67340	0.2
332.22610	0.3
407.05121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1273
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.94298	0.2
65.65009	0.2
71.99120	0.4
72.00764	29.4
74.00591	0.4
74.02329	22.8
96.95869	0.5
99.97530	0.9
100.00262	68.4
100.02610	0.7
100.03901	3.7
101.00594	0.6
107.77602	0.2
118.01459	1.2
118.04964	100.0
119.05297	0.8
134.04620	2.3
140.18610	0.3
143.98256	0.6
144.02907	45.6
145.03235	0.4
151.56776	0.2
160.02554	5.4
174.18617	0.3
255.36650	0.2
266.08960	0.5
411.12732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03303	1.4
54.25543	1.4
56.36131	1.4
58.05825	1.3
59.01231	3.3
59.38765	1.3
61.98693	100.0
80.26160	1.5
146.40317	2.3
170.88298	2.6
170.91029	2.5
195.37448	1.6
286.94888	2.0
328.87515	2.8
348.16022	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	411.2157
Annotation	Pallidone I
Peak:m/z	Relative Intensity
59.01245	100.0
59.67289	38.8
67.21107	39.9
105.03102	45.4
137.67224	48.2
170.91031	50.9
192.72765	52.2
293.72760	53.8
301.20181	69.7
411.21524	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33015	2.8
59.01243	100.0
59.65195	2.5
61.98701	3.5
64.47315	2.9
67.76121	2.6
68.58604	2.8
71.29826	2.5
74.70662	2.6
78.95750	2.7
91.88068	2.9
108.39732	3.1
137.88818	3.3
160.55736	3.2
163.59990	3.3
174.37048	3.1
229.73119	3.9
246.51575	3.1
269.98972	3.4
300.48361	3.4
302.39542	3.3
326.18793	5.6
338.18579	3.3
410.01553	3.5
438.34625	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	411.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33015	2.8
59.01243	100.0
59.65195	2.5
61.98701	3.5
64.47315	2.9
67.76121	2.6
68.58604	2.8
71.29826	2.5
74.70662	2.6
78.95750	2.7
91.88068	2.9
108.39732	3.1
137.88818	3.3
160.55736	3.2
163.59990	3.3
174.37048	3.1
229.73119	3.9
246.51575	3.1
269.98972	3.4
300.48361	3.4
302.39542	3.3
326.18793	5.6
338.18579	3.3
410.01553	3.5
438.34625	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51152	1.0
53.79117	0.9
59.00064	1.5
59.01242	100.0
59.02549	1.3
61.77127	1.2
66.08618	1.2
78.95740	1.7
96.95871	2.6
111.67252	1.2
134.11520	1.5
139.99194	1.3
151.29211	1.4
312.26682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93682	0.3
59.00159	1.4
59.01241	100.0
59.02485	1.7
61.46691	0.3
61.98705	0.8
63.57941	0.7
83.60561	0.4
91.73182	0.6
152.99527	0.6
171.57597	0.4
326.18930	0.5
404.59482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42811	1.7
56.78542	1.9
59.01233	4.5
66.02213	2.1
69.09045	1.8
71.01231	2.7
75.00716	4.3
86.00248	2.1
91.73312	2.8
93.03306	3.2
95.12101	2.2
102.05476	6.8
106.06506	8.0
117.01827	2.1
128.03410	9.0
132.04390	3.3
134.06012	4.6
135.06694	2.1
144.04440	8.4
145.05206	6.6
146.04527	7.0
146.05995	95.5
147.06380	4.2
158.05992	4.4
160.03932	2.6
172.03947	2.6
173.04698	4.8
174.05502	47.2
186.05576	4.7
193.72395	2.5
200.07082	4.2
202.05072	23.0
238.12326	4.7
250.12286	2.4
252.10184	4.1
268.09705	9.8
280.09634	3.7
296.09311	6.0
306.11487	2.5
308.09308	100.0
309.09634	7.1
310.10983	6.2
338.10291	11.1
350.10535	5.1
382.09354	4.0
387.38614	2.4
394.22205	2.4
412.23688	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
67.00948	0.3
71.37627	0.3
77.60891	0.3
79.51735	0.3
116.57418	0.3
118.20530	0.3
119.97479	1.1
120.01115	100.0
154.36240	0.4
165.12709	0.7
181.20465	0.4
240.06647	0.4
247.20619	0.5
289.91296	0.3
291.19693	2.9
327.05502	0.5
340.08469	0.5
353.03552	0.7
397.25168	0.4
412.21835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18829	0.4
57.62172	0.7
59.01242	2.4
60.48784	0.4
61.40411	0.5
61.97356	1.5
61.98693	100.0
76.10889	0.5
85.22171	0.5
119.24536	0.5
120.42561	0.6
215.31029	0.6
370.09006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87175	0.2
57.24645	0.4
57.25256	0.3
59.01242	0.4
59.83856	0.3
61.63085	0.3
61.97382	1.7
61.98693	100.0
61.99817	1.2
78.40495	0.4
82.18303	0.3
83.62503	0.3
132.04958	0.3
151.75409	0.3
159.08647	0.3
168.18518	0.3
305.24844	0.4
334.54034	0.3
335.66177	0.4
350.21051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.4
61.98695	5.9
63.98446	1.4
73.02785	1.6
74.02297	1.6
84.04395	2.0
102.05466	72.0
107.17283	1.7
108.80561	1.8
128.03406	91.2
129.42296	1.8
146.04471	100.0
147.79443	1.8
149.27039	1.7
218.84514	1.6
221.19133	10.5
239.20166	12.2
265.17917	2.5
283.19156	15.1
304.51120	1.9
412.23428	87.4
413.23813	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	413.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03981	25.7
54.44713	32.9
54.95545	25.7
59.01239	100.0
61.98670	54.7
77.83414	41.3
79.33694	34.1
82.25979	29.5
87.54628	29.6
96.95856	80.3
115.37865	31.5
136.72330	34.7
157.18633	35.1
163.35251	34.9
172.90736	48.3
201.63603	38.5
233.53468	37.9
235.02095	35.8
271.91083	40.4
353.10385	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2312
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
59.01239	100.0
59.98366	34.2
60.49712	36.9
85.26437	38.3
91.73241	52.4
114.47094	42.8
117.11804	42.0
152.06453	39.2
205.83948	43.0
270.53415	47.1
303.21902	61.2
305.17212	48.3
413.23029	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78865	0.8
55.67582	0.8
55.72983	0.8
59.00174	1.6
59.01244	100.0
59.02426	1.9
59.84029	0.8
75.18810	1.0
81.20496	0.8
81.55200	0.9
95.62503	0.9
169.36717	1.0
183.01140	1.2
245.05025	1.1
283.56708	1.0
339.19971	2.3
416.08701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17058	8.6
54.25044	9.6
59.01242	62.9
61.98708	11.0
75.51170	10.6
79.46248	10.5
79.61294	10.8
87.79160	10.4
109.02730	10.6
120.95705	10.6
170.29608	12.1
183.01146	50.2
244.99193	11.6
339.20016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68769	0.2
58.99881	0.9
59.01243	100.0
59.02418	1.9
60.01583	0.6
80.72559	0.2
80.91525	1.2
105.05047	0.2
125.53625	0.3
133.55122	0.2
258.37848	0.3
381.49774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32578	0.7
58.03051	0.6
59.00026	1.6
59.01243	100.0
63.57955	0.8
78.71381	0.7
91.72958	1.7
95.90089	0.8
112.81036	0.8
183.01131	2.0
198.88483	0.9
254.34134	0.9
287.39044	1.1
291.45938	0.9
339.20041	2.4
340.71219	0.9
370.09555	1.1
422.12759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52604	0.7
59.01233	2.1
59.38857	0.8
68.99663	0.9
75.95107	0.9
84.53140	0.9
89.12178	1.2
89.12651	0.9
91.73370	2.0
93.74014	0.9
105.06953	5.5
106.04105	5.7
106.06493	1.1
107.04878	2.0
108.02003	1.0
114.01806	2.3
116.04937	2.2
130.06491	22.7
130.07452	1.4
132.08069	2.2
142.06500	2.9
144.04364	1.3
145.05185	3.3
146.06001	9.4
148.07617	2.5
149.05959	1.5
154.06171	2.2
158.05997	4.0
160.07573	18.7
172.07664	1.2
174.03984	1.1
176.07098	1.5
186.05565	3.9
196.47023	1.0
203.05812	12.1
204.06494	1.6
226.12265	1.6
235.04808	4.7
254.11818	10.0
255.12321	1.3
266.11841	5.0
276.66281	0.9
310.10861	100.0
311.11142	4.2
322.10870	2.7
352.11801	2.7
370.12946	74.1
371.13309	3.1
414.11966	70.4
415.12170	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	414.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74046	0.7
54.69864	0.8
59.01226	1.0
59.38888	0.7
62.70674	0.8
85.02796	1.3
91.72890	4.2
93.03326	11.4
98.02312	1.2
99.88129	0.9
100.03880	5.3
101.02284	1.1
102.05499	1.0
103.12914	0.9
128.03400	3.3
129.01797	2.1
140.03165	1.0
150.01619	18.2
161.09619	1.1
163.11214	2.3
166.04781	3.2
168.02686	29.1
189.12758	2.2
212.01698	2.6
219.17502	1.8
245.15494	3.2
301.12909	11.1
324.84348	1.2
352.19025	2.7
355.04828	1.1
370.19965	4.2
396.17642	1.9
414.19034	100.0
415.19348	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	415.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04646	41.1
59.01239	75.8
61.98694	49.3
77.99683	38.8
80.02665	45.1
114.08621	46.0
168.91360	62.5
193.54599	48.1
209.77097	57.5
280.23935	56.8
371.14630	98.1
408.43552	56.2
415.13638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50415	1.2
54.79973	0.6
59.01229	2.8
61.98657	0.7
63.30135	0.6
71.38432	0.7
78.70386	0.7
85.39747	0.8
93.03300	0.9
98.00501	1.0
103.17402	0.9
106.04102	6.6
106.06483	3.7
108.02032	12.5
109.02796	2.8
113.27427	0.8
121.02823	3.2
122.03571	1.2
123.04369	1.1
131.03610	2.6
132.08101	2.1
133.03009	1.3
134.03612	55.7
135.04405	18.6
162.05502	1.2
163.00853	1.3
184.59076	0.8
190.08691	8.8
212.10835	7.0
217.18457	0.8
222.09094	1.3
224.10780	1.7
238.08723	1.2
238.12363	9.3
239.09503	5.2
240.10272	4.3
269.04959	1.1
270.05847	1.2
345.13751	2.1
346.14502	52.3
347.14935	2.7
415.20285	100.0
416.20444	6.3
416.25504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15255	6.1
55.79657	6.2
59.01233	27.9
60.70355	7.7
62.34557	6.8
68.55150	7.1
75.92469	7.8
91.72760	12.9
96.95852	11.4
108.24351	7.6
117.03321	34.4
119.04929	31.0
122.78638	8.7
145.02843	89.8
163.03923	24.4
168.91281	9.5
179.02722	10.0
183.81786	8.5
192.95760	13.3
220.62448	8.9
303.41010	8.9
415.25000	100.0
415.30194	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	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79389	0.3
59.01229	0.8
70.96310	0.5
74.98953	4.7
77.00519	68.2
77.02299	0.8
80.96179	0.4
145.02783	0.5
147.08051	2.0
149.09618	1.5
161.09564	1.0
163.11162	2.8
187.11185	2.7
279.13934	1.0
280.14618	1.3
281.15363	0.7
282.45151	1.5
309.22244	2.7
321.18597	0.9
322.19339	0.9
337.21759	100.0
338.22052	5.6
380.57086	0.5
415.23181	14.5
416.23770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84163	0.1
55.40255	0.1
57.03298	0.2
58.99864	0.6
59.01241	100.0
59.02410	1.9
60.01581	0.5
65.03825	0.6
71.01240	0.9
83.04892	0.3
91.73394	0.2
97.02818	0.2
105.02232	0.1
108.02039	0.6
109.02814	12.0
110.03146	0.2
114.41377	0.1
119.08541	0.3
122.03637	0.1
123.04399	0.1
180.33446	0.1
194.05804	0.1
220.96983	0.1
229.12381	0.3
293.22900	0.1
337.21756	3.3
338.22266	0.2
355.23224	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	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91540	0.4
58.99949	1.5
59.01242	100.0
59.02361	1.6
60.01571	0.7
71.47105	0.2
92.66181	0.3
119.04904	0.4
125.91255	0.3
145.02843	0.5
158.93866	0.4
160.84157	0.8
162.83815	0.9
183.58388	0.3
246.17136	0.3
415.25189	1.0
416.06268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	0.7
59.01240	1.5
59.55294	1.5
59.55545	0.6
62.13115	0.8
67.02856	2.1
71.01206	0.7
72.00741	1.5
74.02322	2.3
80.03648	4.8
81.04442	8.9
93.04440	12.0
96.17021	0.7
108.05523	5.5
109.03879	1.3
110.04131	1.5
110.07102	88.8
125.07644	0.7
136.05028	3.6
137.03435	9.5
151.41200	0.7
152.08243	1.0
154.01224	1.2
154.06110	86.8
155.06412	1.1
163.11214	2.2
164.08327	0.8
182.84834	0.7
189.12752	4.6
192.84814	0.7
217.15990	6.0
243.13945	1.2
261.15079	0.9
279.15945	2.4
285.04083	4.6
286.04343	1.8
342.54065	0.9
354.21997	1.3
372.23196	1.9
398.21017	2.4
416.21954	100.0
417.22195	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	416.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26283	0.7
52.97516	1.7
54.93880	0.7
59.01227	3.1
59.78142	0.8
66.04640	0.8
70.32472	1.1
73.02800	1.3
74.02321	0.8
84.04394	2.6
85.02776	0.8
102.05466	31.7
111.08026	2.1
128.03404	58.6
146.04480	14.6
207.17499	8.2
251.16525	21.1
269.17599	21.5
270.17819	1.1
287.18655	38.1
288.18958	2.6
310.23825	1.2
372.24115	5.1
372.28107	0.9
398.21863	7.6
416.22931	100.0
417.23270	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	417.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56306	0.2
57.03302	0.3
58.40335	0.3
58.99934	1.2
59.01241	100.0
59.02418	1.8
59.13376	0.3
60.01576	0.4
63.57763	0.3
65.64572	0.3
71.01241	0.3
97.02824	0.4
115.86575	0.3
213.09364	0.4
231.13982	0.4
281.24744	0.5
289.05527	0.9
339.23328	4.5
370.99713	0.3
417.20850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29332	0.4
57.50038	0.5
57.86232	0.4
59.00102	1.9
59.01243	100.0
59.02545	1.5
60.01566	0.6
63.57557	0.8
65.03829	0.8
71.01246	1.2
71.17406	0.5
72.20465	0.4
72.77504	0.6
75.00740	1.1
87.91148	0.5
90.90121	0.4
109.02818	13.1
109.35309	0.5
125.04774	0.5
136.65025	0.6
142.37666	0.5
153.98912	0.5
162.83890	0.5
171.13789	0.6
242.68053	0.6
255.23297	1.0
277.47083	0.5
339.23001	2.4
417.21423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86880	0.3
57.10978	0.5
58.99925	1.1
59.01244	100.0
59.02419	1.9
63.58214	0.8
66.89622	0.4
86.96950	0.4
91.79739	0.4
103.24048	0.5
299.33615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
59.02389	1.5
66.89931	0.9
71.09029	1.0
72.32630	0.9
73.49627	1.0
96.29727	1.1
100.09201	1.0
112.46939	1.3
147.47975	1.2
160.84106	1.2
162.83784	3.0
196.26369	1.0
254.29778	1.2
255.23244	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.9
61.98681	1.6
62.20420	1.0
66.76239	0.8
72.84370	0.9
79.08424	1.0
91.05403	2.5
91.70145	1.0
106.04098	7.3
106.06527	1.3
106.17902	1.1
118.06503	1.7
122.38753	1.0
147.04413	9.5
163.70403	1.0
197.09711	2.1
212.10782	11.5
222.09102	1.7
224.10760	11.6
226.87703	1.2
234.08971	10.4
237.08917	2.5
249.52820	1.1
258.24539	1.2
290.08295	1.2
315.05316	1.7
336.13760	9.1
360.11569	1.7
360.16058	31.4
361.16064	1.3
364.13382	1.7
382.14273	100.0
383.14435	5.2
418.10913	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	419.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.3
61.98692	0.8
65.42733	0.7
67.94343	0.7
70.97578	0.6
72.61998	0.7
80.04936	0.7
96.04312	0.6
96.95885	0.7
104.04906	0.9
107.15266	0.6
108.04329	0.7
122.06020	0.7
132.04422	3.5
136.03871	2.3
138.05440	0.7
150.05429	1.0
156.08070	0.9
160.03940	2.8
168.08083	1.1
169.05217	1.1
176.03410	1.7
182.06026	2.4
183.05475	1.4
184.06264	3.9
184.07603	17.3
185.03476	1.5
186.09105	2.0
187.08691	4.2
190.04941	1.0
191.05881	0.8
196.06342	1.2
197.04784	13.9
197.07034	1.2
198.04340	2.4
199.04959	6.1
199.08691	5.0
200.06973	1.0
210.07732	1.5
210.09422	1.3
211.04868	1.1
211.06616	1.5
211.08659	7.5
212.05560	31.9
212.07362	8.2
212.10683	13.1
213.03024	1.5
213.06609	20.6
213.10243	1.6
217.06334	0.8
220.06497	1.0
223.06522	1.0
225.06763	4.1
225.10158	1.1
226.07213	3.8
227.08218	53.9
228.08702	4.9
229.09718	1.9
237.06624	3.7
237.10225	1.7
238.05290	1.3
238.07478	4.4
238.09193	0.8
239.08188	2.3
240.05373	7.1
240.09000	3.3
244.09796	6.4
245.05638	0.9
251.04584	1.5
251.08253	1.3
252.05359	0.9
253.09805	6.3
255.07753	39.9
255.11398	26.3
256.07941	1.7
259.10809	0.8
265.06259	4.8
266.06967	20.9
279.07736	1.9
281.09323	17.7
287.10376	65.7
288.10574	2.4
299.06836	3.8
299.10349	43.2
300.10745	2.6
304.72208	0.8
307.07217	9.9
313.11938	6.5
325.08304	51.7
326.08533	2.4
331.09366	100.0
332.09735	5.8
343.09366	7.2
357.06787	1.2
357.10950	9.9
359.08563	1.1
369.07251	2.1
387.08310	6.6
401.09885	2.1
419.10941	11.9
420.11414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.135
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
50.90921	0.2
57.03300	0.8
59.00970	0.3
59.01245	4.3
63.15092	0.3
65.03825	0.3
65.52808	0.2
69.49924	0.2
71.01236	3.2
72.61569	0.4
73.02788	0.7
81.03316	0.4
83.01229	0.7
83.04872	0.4
85.02808	1.7
86.44252	0.2
89.02279	1.9
93.03308	3.4
95.01228	0.5
95.04771	0.2
99.04377	0.4
101.02306	2.0
103.33379	0.3
106.04105	14.5
107.04890	25.5
107.07780	0.4
108.02065	1.3
108.05221	0.5
109.02849	0.5
111.04379	0.3
113.02313	1.4
116.33083	0.2
119.03387	0.4
119.04893	1.9
121.02814	3.1
138.03044	0.6
141.16983	0.2
150.03105	1.4
164.23203	0.5
164.39948	0.2
171.08072	0.8
182.02084	0.3
211.07593	11.3
212.07799	0.3
213.09157	67.4
213.17322	0.6
214.09462	2.0
227.10623	0.3
257.08173	7.9
258.08560	0.4
299.09109	0.4
340.17148	0.2
406.94235	0.2
414.90573	0.3
419.13507	100.0
420.13837	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	419.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48911	0.9
59.00122	1.7
59.01243	100.0
59.02520	1.2
59.52761	0.9
60.04062	0.8
63.57881	0.9
86.00368	0.9
90.59183	1.0
91.73422	1.8
117.85967	1.0
118.97259	1.0
133.00632	0.9
137.21071	0.9
183.59644	1.0
208.63286	1.1
225.20428	1.0
341.24866	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	419.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70520	0.9
58.99986	2.0
59.01243	100.0
59.02348	1.6
63.57957	0.9
65.28336	0.9
92.92673	1.4
115.25431	1.0
118.02889	2.1
124.03605	1.3
141.01530	1.3
146.02434	6.7
147.02745	1.5
174.90903	1.2
253.74173	1.1
255.23344	2.3
334.72650	1.1
341.24838	5.7
419.31409	1.4
435.36118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95269	0.6
57.02211	0.8
57.03316	49.8
57.04551	0.6
59.00094	1.9
59.01242	100.0
59.02525	1.4
66.71230	0.7
71.01243	5.6
72.15824	0.7
72.99169	2.7
73.02805	3.2
81.03297	0.9
83.01264	1.1
85.02814	3.0
89.02308	2.6
96.95880	2.2
99.00747	1.2
99.01857	1.1
99.04372	74.1
100.04742	1.0
101.02304	19.2
101.02950	1.0
113.02320	2.7
115.03872	70.6
116.04207	0.9
125.02312	35.1
136.40140	0.7
143.03410	2.0
153.43835	0.6
157.04979	1.3
161.04433	3.7
243.13908	0.7
259.08322	2.7
265.42639	0.8
277.09290	31.8
278.09842	1.7
319.10364	17.6
327.04285	0.6
359.13382	3.2
377.14621	1.9
421.13693	5.6
428.76831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71392	0.6
52.95270	0.6
54.46272	0.5
55.53543	0.5
55.94477	0.5
57.02222	1.0
57.03317	50.9
57.04513	0.8
58.24710	0.6
59.00114	1.9
59.01242	100.0
59.02518	1.2
59.80379	0.6
66.04652	0.7
71.01241	8.1
72.99148	0.8
73.02808	2.9
78.70518	0.6
81.03340	1.7
83.01257	2.0
85.02814	2.3
89.02328	3.5
96.48320	0.6
96.95912	0.8
99.00801	1.0
99.04377	75.3
100.04724	1.0
101.02303	18.1
113.02271	3.6
115.03874	69.9
115.07333	0.8
116.04245	1.2
119.03391	0.7
123.58112	0.7
125.02312	35.3
143.03412	2.7
157.04965	0.7
161.04482	2.2
184.93262	0.8
246.22610	0.6
259.08344	1.9
277.09283	32.9
281.38391	0.8
319.10370	16.5
320.10605	0.9
359.13321	3.1
377.14722	0.8
421.13623	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	421.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57655	36.0
59.01245	68.9
61.98677	47.3
68.67068	36.2
72.99172	100.0
81.68815	40.9
85.09872	42.7
154.58183	42.7
208.39862	52.1
442.66302	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	421.1448
Annotation	Isoplagiochin C
Peak:m/z	Relative Intensity
53.63193	0.3
59.01236	1.1
61.98682	0.6
72.99146	0.5
84.68449	0.5
90.59218	1.0
93.03303	3.7
97.04236	0.4
118.20335	0.4
119.04893	7.0
121.02835	1.6
143.04865	1.0
185.94533	0.5
197.05981	0.8
209.06013	1.6
210.06783	0.6
211.07568	1.0
223.07582	0.6
259.07596	0.5
266.79633	0.5
268.08881	0.7
269.09698	1.6
271.07611	0.9
271.11270	1.3
272.08453	1.1
273.09164	1.6
284.08435	0.5
285.09137	2.9
286.09967	1.9
287.10724	6.0
295.07861	0.5
296.08435	1.8
297.09167	4.7
298.09933	1.1
299.07144	3.7
299.10764	1.6
300.07739	3.1
301.08630	3.1
302.09375	0.8
309.09055	1.0
312.07919	0.9
313.08682	5.1
314.09457	5.9
315.10269	41.1
316.10394	2.0
326.09744	0.6
327.10217	1.8
363.10107	0.5
374.13568	0.6
375.14059	0.8
379.13174	0.6
389.11954	0.5
393.14877	1.7
401.11792	1.0
403.13394	5.9
406.11987	0.6
419.13226	0.6
421.14487	100.0
422.14874	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	421.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.8
59.16728	0.2
61.85176	0.2
61.98699	0.3
62.43398	0.2
72.99171	0.5
83.30416	0.2
91.72800	0.3
93.03302	0.5
96.95884	0.3
110.97392	0.2
119.04888	0.8
121.02837	0.4
180.05692	0.6
181.06422	0.4
182.07257	0.5
183.08069	0.3
195.04370	0.2
196.05238	1.7
197.05937	0.4
205.06528	0.3
208.05226	2.1
209.06000	1.6
210.06851	1.6
222.06874	1.4
223.07562	0.3
242.05807	0.4
246.07076	0.3
254.05772	0.3
268.09125	0.4
269.09720	0.3
271.07721	0.3
273.09256	0.3
285.09247	0.7
286.10046	0.4
287.10672	0.4
295.07883	0.4
296.08328	1.3
297.09308	1.5
300.07913	0.6
301.08710	1.0
313.08722	0.6
314.09360	1.2
315.10208	1.9
327.10333	1.1
329.08438	0.3
359.14557	0.3
361.16550	0.4
375.14035	0.5
383.14664	1.5
393.14981	0.7
403.13412	3.8
404.13678	0.4
419.12967	0.3
421.14502	100.0
421.36960	1.0
422.14832	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	421.1448
Annotation	Isoplagiochin C
Peak:m/z	Relative Intensity
59.01249	0.2
72.99163	0.2
75.82973	0.2
93.03300	0.5
108.01986	0.3
119.04889	1.0
121.02792	0.2
125.17957	0.2
129.72517	0.2
132.03110	0.2
136.02794	0.2
180.05731	0.5
181.06480	0.6
182.07283	0.4
193.06531	0.2
194.07263	0.4
196.05220	1.8
198.06847	0.4
205.06519	0.4
208.05234	2.0
209.05995	1.5
210.06793	1.7
211.07535	0.3
212.08360	0.2
221.06163	0.5
222.06836	1.6
223.07587	0.3
225.05386	0.2
226.06273	0.3
254.05750	0.2
256.08997	0.2
268.08929	0.2
269.09586	0.3
270.06918	0.2
271.07617	0.2
271.11157	0.3
272.08496	0.3
273.09232	0.5
283.07794	0.2
285.09192	0.5
286.09885	0.4
287.10770	0.4
295.07562	0.3
296.08350	1.0
297.09256	1.5
299.07047	0.2
300.07758	0.4
301.08664	0.6
313.08698	0.8
314.09430	1.1
315.10312	2.3
326.09567	0.2
327.10382	1.0
347.14471	0.3
359.14563	0.3
365.15799	0.2
375.14087	0.5
393.14999	0.5
403.13422	3.5
404.13702	0.6
421.14487	100.0
422.14832	9.7
422.20566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1507
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
57.03297	0.8
59.01228	1.6
68.80367	0.4
70.61471	0.4
71.01249	2.5
71.41338	0.4
72.99164	1.0
73.02785	0.7
73.95553	0.5
77.96010	0.5
77.96455	0.5
85.02783	1.2
93.03314	1.9
98.33064	0.6
99.04368	0.8
100.70187	0.5
101.02302	1.5
108.01333	1.1
108.02029	14.4
109.02802	1.0
113.02293	1.4
121.02819	20.3
122.03603	36.4
123.04396	24.6
124.01556	0.7
124.04729	0.6
125.02270	0.6
135.04372	1.7
136.01538	0.8
136.05153	0.9
137.02332	2.6
145.50963	0.6
154.02600	1.1
161.04471	1.4
189.97174	0.5
221.13165	0.4
227.07176	2.7
236.28340	0.5
244.07390	18.7
245.07681	0.8
259.09753	100.0
260.10184	3.6
300.74594	0.5
346.44843	0.5
354.81995	0.5
390.21832	0.6
416.06305	0.5
421.11945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1549
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
50.91876	1.1
53.48968	1.0
59.00970	2.4
59.01242	30.2
61.98683	6.1
69.92393	1.1
72.99165	3.1
91.72687	1.7
91.73180	2.3
93.03310	4.4
97.35156	1.6
106.04123	2.6
117.01859	1.4
148.08815	3.1
149.76953	1.5
156.90340	1.6
163.11230	3.8
165.12730	16.4
174.99141	3.5
189.12721	2.5
191.14330	10.5
219.17496	6.5
223.04726	1.4
230.01012	2.0
245.15410	3.1
246.08727	1.4
263.02432	9.1
263.16565	23.4
264.03214	2.2
287.22253	2.1
288.99228	1.6
292.06290	17.1
324.05374	12.1
361.13373	63.5
362.13864	3.9
421.15497	100.0
422.15729	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	421.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74216	0.1
57.03317	2.7
58.02838	1.8
59.01244	0.7
61.09484	0.1
70.01139	0.2
70.02838	9.2
70.04391	0.2
71.01241	0.3
71.03154	0.2
71.04876	12.9
71.06438	0.2
72.00768	0.4
72.99177	0.1
76.02132	0.2
79.96642	0.1
80.77779	0.2
87.05495	5.8
87.07649	0.2
90.23919	0.2
97.03969	0.2
99.04375	5.6
101.02318	0.4
105.24869	0.2
109.47826	0.1
111.22293	0.2
113.07056	0.2
114.05502	0.1
115.04987	1.6
116.07046	2.1
118.03191	0.4
125.02335	0.3
128.07069	0.5
129.05455	1.4
129.06389	0.3
129.49411	0.1
130.03200	9.6
135.00293	0.1
139.03874	0.4
143.18361	0.2
146.08113	81.5
146.12656	1.1
147.05856	4.4
147.08450	1.1
175.05309	0.2
189.07016	0.2
215.07071	0.2
217.11890	19.6
218.12245	0.2
243.13470	0.4
259.06155	0.6
259.11203	0.2
277.12277	100.0
277.24057	1.0
278.12613	3.2
319.13275	0.7
347.67816	0.2
397.45828	0.1
421.16437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02065	1.0
57.03316	94.5
57.04442	2.0
59.01241	85.8
59.02427	1.6
60.60367	0.7
66.88632	0.6
69.03275	0.8
71.01238	22.1
72.25924	0.7
72.99171	1.5
73.02803	10.6
75.00713	0.9
81.03310	2.6
83.01233	5.5
85.02806	13.8
85.99950	1.7
87.00735	32.3
89.02311	1.1
94.77068	0.9
95.01231	1.6
96.63516	0.7
97.02793	1.5
99.00749	3.7
99.04376	100.0
99.06944	1.6
99.08021	1.3
100.04679	0.8
101.02302	44.4
102.02642	1.3
113.02306	14.0
115.07523	6.7
123.04359	0.8
125.02316	37.7
125.05921	0.9
129.01799	2.0
141.09039	1.2
143.03392	3.6
152.44641	0.8
159.02872	3.7
161.04457	11.3
187.09689	23.7
221.41052	0.8
259.11874	17.6
277.12921	37.3
278.13235	1.2
281.59424	0.9
319.13971	12.6
359.17120	3.4
421.11719	1.5
421.17163	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37098	0.9
53.95090	0.9
57.02117	1.1
57.03316	77.8
58.96369	1.2
58.99981	1.8
59.01241	100.0
59.02364	1.6
70.02806	1.1
71.01237	16.4
72.99150	2.6
73.02805	4.5
75.22820	1.0
78.95744	2.0
83.01245	3.6
84.57961	1.2
85.02810	5.9
87.00739	1.4
89.02295	15.0
90.84619	1.1
95.01239	1.3
96.95873	10.8
96.96839	3.3
99.04376	80.0
101.02300	33.1
113.02322	9.3
119.03367	4.1
125.02308	29.7
143.03436	2.2
146.08147	6.4
159.02884	1.6
161.04471	6.1
173.17181	1.4
179.05537	1.4
189.09607	1.3
217.11865	1.6
262.06537	1.4
277.12823	30.5
277.17392	1.5
319.13965	4.3
400.01657	1.3
421.11639	2.7
421.16965	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47092	0.3
52.17502	0.3
52.96587	0.3
53.62842	0.3
54.59106	0.3
56.87896	1.4
61.98694	2.3
71.20080	0.3
72.99165	0.7
73.56366	0.3
95.54440	0.8
126.93604	0.3
138.36723	0.3
149.29179	0.3
163.05383	1.1
163.11188	100.0
163.16232	1.0
164.11508	2.6
276.34225	0.4
339.23312	65.7
340.23694	4.1
403.75446	0.4
421.22531	0.7
438.58383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99932	1.1
59.01242	100.0
59.02391	1.8
59.05180	0.4
60.01590	0.6
61.63829	0.3
62.06133	0.3
63.58777	0.5
65.46241	0.4
72.67596	0.4
72.99162	2.0
76.87174	0.4
82.31490	0.4
173.68251	0.7
183.01122	7.2
239.07515	0.4
277.14627	0.5
322.05234	0.4
329.21280	0.9
339.20010	18.2
340.20496	1.4
390.60129	0.4
421.11487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66445	62.2
67.28798	65.0
72.99170	100.0
75.59335	63.6
76.00703	56.9
80.96376	77.2
92.45197	70.1
98.00108	62.5
98.86127	84.8
146.07144	87.3
182.68141	86.5
215.12459	82.7
280.21744	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	422.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91404	2.0
56.35238	2.5
59.01232	3.8
61.98685	2.9
65.00188	2.4
67.01754	7.1
81.03316	45.4
91.36838	2.1
93.03316	23.9
95.04877	3.9
106.04084	6.1
109.02809	24.2
112.06072	2.2
118.06503	8.8
119.04879	6.3
121.02821	84.7
151.92749	2.3
153.01817	27.0
165.01826	53.4
170.09683	2.8
194.09587	4.2
196.70439	2.5
210.09189	6.5
212.10806	20.3
224.10689	2.8
238.08875	2.4
256.09787	100.0
268.09763	4.9
282.86615	2.4
362.19638	2.5
422.12128	3.7
423.16113	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1824
Annotation	Ligularizine
Peak:m/z	Relative Intensity
51.13599	1.1
58.02837	2.0
59.01247	7.1
61.75724	0.9
63.89597	1.1
84.04379	4.7
87.04350	4.5
93.11589	1.1
95.04876	4.7
96.95887	1.4
97.25529	1.0
97.30732	1.1
100.07519	2.7
102.05465	45.8
121.06438	1.2
125.16255	1.4
126.52604	1.2
127.99472	1.3
128.03406	100.0
133.06439	2.0
135.07938	1.2
146.04451	11.5
149.09601	5.0
151.11169	7.6
159.61099	1.2
160.39880	1.2
175.11121	3.0
177.09114	1.6
177.12708	2.3
195.10193	2.8
213.12813	2.7
231.13892	9.5
249.14928	13.7
259.11893	5.8
260.12192	3.7
275.12836	3.6
277.12946	1.9
293.10965	2.3
293.13956	33.0
333.15527	2.2
334.15851	1.4
334.19949	2.3
352.16934	1.6
378.19196	2.1
404.16830	8.1
422.18134	74.9
423.16034	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2189
Annotation	14-Demethyltuguaconitine
Peak:m/z	Relative Intensity
58.02848	2.5
59.01230	5.8
63.70415	1.5
91.73457	1.9
96.04388	4.0
97.31731	1.7
98.05968	7.7
99.28520	1.7
114.09103	2.6
116.07043	36.8
117.27868	2.2
125.56269	2.0
128.36270	1.9
135.15834	2.0
142.04990	38.4
160.06049	37.0
163.11238	3.1
189.12772	4.2
217.15971	5.6
230.28604	2.2
261.87967	1.9
279.16052	6.0
299.10999	2.0
300.29553	2.3
360.21808	3.5
363.13455	9.3
365.75186	2.2
367.14172	2.6
378.72171	2.6
422.21887	100.0
423.16061	13.5
423.22220	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	422.9327
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05575	0.2
87.11668	0.2
91.01773	0.3
93.03320	1.4
108.02029	0.9
109.02772	0.3
119.04885	0.4
121.02820	5.2
121.50729	0.2
123.04369	0.6
124.20953	0.2
139.47809	0.2
151.01772	0.2
169.06445	0.7
181.06532	1.5
182.07259	0.8
183.08080	0.5
194.07297	2.2
195.08069	4.1
196.05280	0.5
197.06026	1.6
198.06792	1.4
207.08049	1.5
209.06013	2.7
210.06815	3.8
211.07565	1.6
212.08386	2.4
212.90535	0.3
215.06949	0.4
223.07645	0.9
224.08333	1.6
242.05757	0.4
244.07361	0.8
256.07443	0.3
283.11343	0.8
283.37286	0.2
285.09143	0.2
297.09238	0.4
299.10779	7.6
300.11499	0.3
315.10153	0.3
316.11047	0.5
317.11798	3.4
377.15616	0.4
404.13956	0.3
405.14972	8.6
421.14099	0.3
423.16064	100.0
424.16312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02835	0.6
59.01231	0.3
60.53390	0.2
70.02837	2.3
71.01239	0.3
71.04878	3.9
72.99131	0.2
87.05498	1.9
91.72668	0.3
97.06473	0.2
99.04381	1.2
113.02282	0.5
113.03419	2.0
115.05009	0.5
116.07044	0.8
117.03326	22.4
117.06525	0.3
118.03681	0.3
119.04893	4.0
121.02783	0.4
125.02275	0.3
129.05428	0.5
130.03203	2.0
141.59587	0.2
144.02893	0.6
144.97841	0.8
145.02837	100.0
145.07158	1.0
146.03220	2.0
146.08110	21.6
146.12543	0.3
147.05849	0.8
162.05534	0.7
163.03938	2.1
173.03818	0.9
215.01788	0.2
217.11884	4.8
222.05890	2.2
277.12283	21.3
278.12628	0.6
299.10876	0.4
367.13589	0.3
406.18768	0.2
423.16095	7.5
424.16339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1604
Annotation	Cloprostenol
Peak:m/z	Relative Intensity
51.37839	0.3
75.08944	0.3
93.03307	2.6
106.04078	0.4
107.04896	0.8
108.02001	1.2
109.02796	1.1
119.01292	0.5
119.04893	0.3
121.02822	11.8
122.03587	2.5
123.04379	1.3
149.93336	0.3
152.86058	0.3
169.06436	0.4
182.07260	0.4
183.08029	0.7
193.06546	0.5
195.08075	0.6
196.05179	0.6
197.06010	1.1
198.06776	1.4
199.07510	0.6
208.05293	0.7
209.06017	4.7
210.06810	4.7
211.07578	3.3
212.08348	1.0
213.09096	1.1
222.06821	0.3
224.04712	1.2
225.05574	4.2
226.06371	3.6
227.07088	1.2
239.03610	0.3
242.05814	0.3
275.10660	0.3
299.10757	1.1
301.12259	0.5
315.10330	1.9
316.10968	1.3
317.11850	4.0
331.09879	1.3
332.10587	0.6
333.11780	0.4
370.81525	0.4
396.56631	0.3
405.14926	0.9
423.16052	100.0
424.16309	4.1
437.86346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1603
Annotation	Cloprostenol
Peak:m/z	Relative Intensity
56.13807	0.3
61.39755	0.3
73.55964	0.4
90.97066	0.3
91.15824	0.3
93.03342	1.9
94.21727	0.3
108.02050	1.2
109.02843	0.4
110.19164	0.4
119.04929	0.6
121.02817	5.8
123.04376	0.9
129.08511	0.4
181.06540	1.4
182.07268	0.7
183.08104	0.9
194.07259	2.6
195.08066	4.9
196.05135	0.5
197.06007	2.1
198.06831	1.2
207.08154	1.2
209.05991	3.1
210.06841	4.8
211.07524	2.0
212.08318	3.3
223.07654	1.0
224.08467	2.3
242.05740	0.6
256.07492	0.5
283.11337	0.6
297.09171	0.6
298.10123	0.7
299.10800	7.2
300.11615	0.5
303.45496	0.4
315.10294	0.5
316.10883	0.4
317.11832	2.6
390.13477	0.4
405.14993	8.7
423.16064	100.0
424.16357	0.9
427.61694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46193	0.2
56.03765	0.3
66.54454	0.2
68.79992	0.2
68.99638	0.3
71.23854	0.2
93.03316	2.4
108.02046	0.3
114.31567	0.3
119.04888	1.3
121.02824	6.0
122.03638	0.7
123.04394	0.8
124.76398	0.3
134.95699	0.3
143.04974	0.3
152.68053	0.3
169.06445	0.6
170.71741	0.3
181.06488	1.0
182.07268	0.6
183.08080	1.3
194.07315	1.1
195.08125	1.3
196.05273	1.9
197.05956	1.8
197.59181	0.3
198.06828	1.5
199.07594	0.7
206.07335	0.7
207.08121	1.2
209.06007	2.6
210.06798	6.6
211.07582	4.8
212.08379	6.5
215.06950	0.3
223.07651	1.0
224.08417	0.9
227.07072	0.4
244.07408	0.7
283.11279	0.4
297.09485	0.4
299.10751	3.1
300.11319	0.6
301.12363	0.5
302.09760	0.5
315.10269	0.5
316.11102	0.7
317.11862	3.7
329.11990	0.4
340.32401	0.3
395.16867	0.4
405.15021	3.8
423.16061	100.0
424.16376	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	423.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37827	0.4
53.92157	0.2
67.49007	0.2
70.54373	0.2
83.00779	0.2
87.28574	0.2
93.02758	0.3
93.03321	4.6
98.23579	0.2
107.04858	0.5
108.02029	1.3
109.02750	0.2
119.04916	1.8
121.02822	23.2
122.03642	2.4
123.04411	1.3
145.06383	0.2
151.28145	0.2
168.63332	0.3
168.83386	0.2
169.06407	0.5
171.08188	0.2
181.06471	0.5
182.07256	0.9
183.08061	0.9
194.07301	0.3
195.04480	0.3
195.08054	0.5
196.05244	0.3
197.06035	2.3
198.06818	3.5
199.07584	5.0
204.87473	0.2
208.05200	0.7
209.06029	3.6
210.06804	6.5
211.07594	16.3
212.08226	1.2
213.05489	0.9
213.09146	0.8
223.07632	0.7
224.08310	0.9
225.05545	3.5
226.06328	4.3
227.07082	1.6
243.06645	2.1
244.07204	0.4
256.07416	0.3
287.10782	0.4
289.12396	0.3
299.10822	0.7
301.12332	0.4
303.10245	0.5
304.11060	1.9
315.10297	0.8
316.10977	1.3
317.11853	4.7
318.08752	0.2
331.09763	0.5
331.31378	0.3
332.10568	4.1
345.71887	0.3
389.71521	0.3
395.16785	0.3
405.14896	0.4
422.15182	0.5
423.16068	100.0
424.16422	6.8
433.20697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1603
Annotation	Cloprostenol
Peak:m/z	Relative Intensity
50.28917	0.3
51.37839	0.7
53.27914	0.3
71.33163	0.3
74.90107	0.3
75.45267	0.3
75.86835	0.3
89.73530	0.3
92.02496	0.4
93.03308	3.9
107.04884	1.1
108.02026	1.3
109.02759	0.4
119.01234	0.6
120.99055	0.3
121.02823	29.3
122.03607	1.0
123.04388	1.2
139.26605	0.3
141.73003	0.4
143.68452	0.3
169.06517	0.4
181.06497	0.5
183.08070	1.3
193.06682	0.4
195.08070	0.7
196.05254	0.5
197.06029	1.2
198.06779	1.7
199.07518	0.4
208.05228	0.7
209.06032	4.0
210.06808	6.6
211.07578	3.6
212.08273	0.9
213.09187	1.4
225.05582	2.6
226.04085	0.7
226.06320	13.9
227.06953	2.7
258.05365	0.4
268.72504	0.4
284.33273	0.3
299.10739	0.7
301.12341	0.5
303.10211	0.8
303.69049	0.3
304.10989	0.4
315.10312	1.2
316.11050	2.2
317.11819	9.6
331.09714	0.9
332.10510	1.0
346.22995	0.4
348.10175	0.5
423.16068	100.0
424.16388	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	423.1606
Annotation	Cloprostenol
Peak:m/z	Relative Intensity
51.84542	0.5
59.01226	2.3
61.98695	5.6
70.64443	0.6
72.84421	0.5
72.99149	1.2
73.37916	0.5
88.58770	0.6
93.03316	1.4
98.55284	0.6
113.02309	1.4
119.04910	1.0
121.02828	2.8
122.03618	3.1
122.19094	0.7
123.04404	1.0
125.02316	1.7
169.35873	0.6
181.06500	1.9
190.99683	0.6
194.07330	2.2
195.04443	2.2
195.08102	1.0
196.05244	8.1
197.06013	16.3
198.06673	0.7
199.07629	1.4
199.55632	0.6
207.08124	0.7
209.06067	4.3
210.06842	5.1
211.07607	2.2
212.08403	1.5
213.09181	1.0
217.34596	0.6
219.95251	0.8
223.07524	0.6
225.09335	0.7
242.05878	0.8
299.10788	2.2
301.08926	0.8
315.10159	1.6
317.11972	1.6
336.56281	0.7
360.15976	0.6
367.13959	3.2
406.15829	1.4
423.16089	100.0
424.16443	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	423.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04644	0.5
54.31167	0.6
57.03324	4.3
57.03546	0.5
59.01242	64.9
59.02442	0.8
61.98679	1.7
69.03313	11.5
70.43892	0.6
71.01241	2.5
77.69514	0.6
82.58696	0.6
83.04891	2.3
85.02814	0.8
91.72754	1.2
91.73257	1.5
93.03309	1.4
95.04886	2.7
97.02806	10.7
99.04380	2.2
106.04107	1.2
107.04925	1.0
108.01999	0.8
109.06449	1.4
110.48151	0.7
110.76691	0.6
113.02329	0.8
121.02834	2.1
122.03574	1.5
135.04382	1.4
144.75201	0.7
155.51923	0.8
168.84511	0.8
187.14903	1.1
195.08197	0.8
197.45654	2.2
197.75381	0.8
201.12874	1.7
203.14044	0.8
209.06096	0.8
210.06769	1.6
211.07423	0.8
225.16431	1.4
231.13820	1.9
243.13867	2.9
243.17538	24.0
245.15446	2.5
247.47649	0.9
257.15540	1.4
259.17017	4.0
269.15448	2.0
287.16547	100.0
288.16907	4.8
291.20050	0.9
299.10632	1.6
317.11789	1.0
327.19757	1.3
345.20636	1.7
361.22964	0.8
367.13776	0.9
405.15140	0.9
423.16113	22.0
424.16315	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	423.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27965	0.1
58.99921	1.2
59.01243	100.0
59.02413	1.9
60.01579	0.4
71.01254	0.4
74.74220	0.2
74.86787	0.1
93.03307	0.2
108.01990	0.2
113.02314	0.2
114.47878	0.2
121.02821	1.6
123.04356	0.3
125.02375	0.3
181.06535	0.4
194.07330	0.5
195.08099	0.7
196.05231	0.1
197.06075	0.4
198.06831	0.2
207.08102	0.3
209.06015	0.6
210.06833	0.8
211.07620	0.6
224.08466	0.3
226.06355	0.4
244.07368	0.3
299.10791	1.3
317.11722	1.0
331.22855	0.3
367.13828	0.3
405.14948	1.3
423.16083	18.2
424.16302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62528	0.2
54.07243	0.2
54.92060	0.3
59.00146	1.4
59.01242	100.0
59.02501	1.5
60.01575	0.3
63.92461	0.2
83.27306	0.3
91.93860	0.3
93.03343	0.4
93.64206	0.3
95.84538	0.3
97.59899	0.3
99.41405	0.3
116.86590	0.3
121.02824	1.2
121.41334	0.3
195.08038	0.7
197.05962	0.3
209.06024	0.7
210.06839	0.9
211.07381	0.4
212.08267	0.5
299.10751	1.2
317.11789	1.0
345.24628	0.3
405.14917	1.3
421.14966	0.3
423.16061	16.2
424.16385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3272
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.71722	0.1
56.98090	0.1
71.31023	0.2
71.31358	0.1
88.67188	0.1
121.02821	0.2
121.25043	0.1
189.12788	1.0
194.07335	0.1
197.05850	0.1
205.07962	0.9
205.15912	100.0
206.16255	3.2
210.06801	0.3
254.23312	0.1
299.10834	0.2
405.14944	0.2
408.30270	0.1
423.16431	3.5
423.32712	63.8
424.16330	0.4
424.33026	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	424.1983
Annotation	Isariotin B
Peak:m/z	Relative Intensity
51.89753	0.6
53.33369	1.3
53.33590	0.9
57.03305	0.6
58.02831	3.1
59.01242	9.0
61.98689	0.8
65.03837	0.6
67.60425	0.6
69.03297	1.9
74.02322	1.9
80.96363	0.9
84.04406	6.5
84.13096	0.7
85.02802	1.0
95.04874	1.7
100.07547	7.8
102.02835	1.1
102.05469	67.7
103.05812	0.9
113.59187	0.7
120.05737	0.8
128.03409	98.5
129.03766	1.3
135.08057	2.4
137.09573	4.0
146.04480	17.7
147.08037	1.2
149.09602	2.5
159.08066	0.8
161.09625	6.1
163.11227	2.9
175.11218	1.6
179.10699	1.5
187.11165	1.9
191.14262	1.6
199.11206	1.0
199.78635	0.7
203.14352	2.3
215.14383	10.1
217.12288	1.5
235.13326	7.1
247.13354	1.8
251.12938	0.9
256.39087	0.8
259.13403	2.4
277.14471	3.7
277.97858	0.8
285.66721	0.7
295.15515	36.8
296.15863	1.7
300.08835	1.1
320.18674	2.0
344.18689	0.9
380.20804	3.9
393.11481	0.9
406.18735	20.0
424.19867	100.0
425.20114	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	424.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33352	1.2
53.42670	0.3
54.71394	0.3
57.03319	2.5
57.35721	0.3
58.02835	1.5
59.00964	0.6
59.01243	6.9
61.98680	0.4
64.83250	0.3
66.07307	0.4
69.03305	0.5
71.01244	0.7
74.02328	1.1
78.54957	0.4
79.05352	0.5
81.03322	0.5
82.02827	0.6
83.04898	2.1
84.04401	4.6
86.02322	0.6
87.73596	0.4
95.04888	1.4
96.95847	0.5
97.06454	0.6
100.07543	4.2
101.02303	0.5
102.02788	1.0
102.05466	62.9
102.08443	0.8
103.05804	0.7
109.02809	2.5
109.06477	0.5
112.37207	0.4
113.02296	0.5
117.90396	0.4
120.01109	0.5
121.02830	0.8
123.04345	0.4
123.08025	0.5
127.99652	1.4
128.03406	94.0
129.03754	1.1
131.04916	0.5
132.04442	0.8
133.06480	0.5
134.03616	1.1
134.05995	0.5
135.04388	1.2
135.08038	5.2
136.05112	0.5
138.05521	1.0
141.30661	0.4
146.04472	16.9
147.08015	1.1
149.05916	0.8
149.09695	0.5
150.05431	0.6
150.90059	0.4
151.07581	0.8
151.11206	0.6
156.06573	0.5
159.08058	0.7
160.01636	0.8
161.09615	5.2
162.06744	0.6
163.07533	0.4
163.11172	0.7
165.09070	0.9
167.01678	0.6
168.06573	1.2
171.07661	2.7
171.25679	0.4
173.09644	0.9
175.03926	1.0
175.07274	0.5
175.11180	0.5
177.09039	0.6
179.10661	6.7
187.11224	0.9
189.12737	4.9
192.11368	0.6
195.10112	0.8
197.09779	0.5
205.12306	1.2
209.02721	2.3
209.08107	1.0
215.10963	0.6
215.14371	6.4
217.12329	0.7
218.61819	0.4
219.10262	1.3
233.11734	1.4
233.15390	4.5
234.15918	0.4
241.12416	0.6
249.05406	2.3
251.12846	0.7
251.16527	1.6
258.14877	0.5
258.87912	0.4
259.13412	2.3
277.14447	13.4
278.14941	0.7
281.78708	0.6
295.15506	35.3
296.15811	1.6
318.17227	0.5
337.69083	0.4
344.18750	0.7
357.10947	1.2
362.19678	3.1
380.20691	1.9
389.13611	1.3
393.11185	0.9
406.13672	0.8
406.18787	14.3
407.19043	1.1
416.09818	0.5
424.19882	100.0
425.20181	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	424.198
Annotation	Isariotin B
Peak:m/z	Relative Intensity
53.33354	1.2
53.33585	0.8
57.03316	0.5
58.00431	0.5
58.02838	1.0
59.01236	5.3
60.84457	0.4
61.82579	0.4
61.98684	0.6
69.03301	0.6
71.01230	1.2
74.02334	1.4
83.04879	0.8
84.04408	5.2
85.02763	0.5
94.02819	0.6
95.04880	0.7
97.02814	1.4
97.06445	0.6
100.03874	0.5
100.07529	3.0
102.05465	58.4
103.05800	0.9
108.17281	0.4
109.06445	0.8
111.00745	1.3
111.08015	1.8
119.04903	1.4
119.48258	0.4
121.02808	1.2
123.08016	0.6
125.02309	2.3
125.09583	0.5
127.99166	0.7
128.03404	100.0
128.07166	1.2
129.03740	1.2
135.04388	1.0
135.08023	0.7
137.05988	2.0
137.09608	1.0
139.07507	1.3
146.04474	21.0
149.05927	1.1
151.07608	0.5
151.11151	0.7
153.09116	0.6
155.07022	1.2
155.58696	0.5
156.06581	0.6
157.08620	2.5
161.05956	0.5
161.09615	1.0
163.07561	0.7
165.09122	0.5
179.10663	5.5
180.07881	0.8
195.17448	0.5
198.08983	0.5
203.10820	0.8
203.14369	0.8
205.12222	0.6
205.15965	2.0
215.14319	5.1
216.14873	0.6
217.12352	1.0
223.17111	0.6
226.08377	1.4
231.13895	2.8
233.15399	3.9
240.12427	0.7
241.12332	0.6
242.14149	0.7
249.15027	4.1
254.14102	0.6
254.84772	0.4
259.13364	2.4
265.14456	0.8
267.16064	3.6
277.14459	14.4
278.14838	0.6
295.15506	44.8
296.15973	2.0
350.20010	0.5
352.21564	1.2
362.19714	2.7
380.20847	1.6
385.63785	0.7
406.18771	15.5
407.19040	0.9
424.19888	94.6
425.20242	6.0
442.68060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.7
62.31806	0.2
63.29570	0.2
65.34000	0.2
70.02842	0.3
78.92650	0.3
79.95593	2.1
91.72577	0.3
96.00763	1.2
96.93415	1.4
96.95867	100.0
103.03664	0.3
103.05360	0.2
106.04111	0.5
113.92492	0.5
114.01845	0.3
116.04915	1.7
121.15002	0.2
125.02358	0.3
134.06006	0.2
152.07037	0.5
157.97624	0.3
190.04953	0.2
197.09645	0.3
212.10742	0.9
224.10550	0.4
231.02066	0.3
250.06245	0.4
254.01044	0.3
266.59753	0.2
269.04895	0.3
271.06567	2.1
278.04709	0.2
280.06522	0.6
285.04037	1.0
296.06039	1.7
305.06738	0.3
309.12460	0.3
311.06094	0.4
313.07614	5.1
316.96561	0.2
324.05591	3.2
327.13550	2.0
338.06940	0.9
339.06445	0.3
340.08737	1.5
357.06577	0.6
365.08237	5.4
365.19577	0.4
366.06564	3.4
368.04587	0.3
387.15848	0.4
407.09238	0.8
425.10345	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	425.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72523	0.5
57.41995	0.3
59.01230	0.6
80.04906	2.0
87.00735	1.0
91.72665	0.7
92.04920	0.6
93.14981	0.5
93.15513	0.4
99.00719	0.4
102.05456	1.0
104.04921	8.5
108.04411	8.7
110.06033	0.8
120.01061	1.0
120.04418	72.2
121.04748	1.3
122.05981	1.1
128.03419	1.4
132.00548	0.9
132.04428	65.3
133.04768	1.5
138.05492	9.6
148.03928	10.1
150.05495	16.7
158.05960	0.3
160.03952	1.5
162.05484	0.5
164.07014	0.8
168.06564	42.6
169.06953	0.9
176.03445	17.5
177.03807	0.4
184.62000	0.4
188.03427	2.1
189.04196	0.4
190.04999	1.1
193.04037	0.3
208.06088	12.6
237.10333	2.4
241.09615	0.5
244.43300	0.4
253.09866	0.6
255.11368	1.1
265.09818	4.0
267.11365	0.7
273.09247	0.4
277.09848	0.4
281.09341	1.5
283.10999	3.1
285.12521	0.5
289.11969	4.8
295.10962	2.0
299.10361	0.5
309.08755	1.8
311.10406	0.9
313.11957	25.6
314.12308	1.3
326.57053	0.4
327.09891	4.2
328.10645	0.4
329.11459	1.8
339.09811	1.1
341.11273	1.8
357.10953	68.3
358.11328	3.7
371.12619	0.7
389.13577	100.0
390.09354	0.5
390.13931	5.4
425.20490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1402
Annotation	Pulveraven A
Peak:m/z	Relative Intensity
50.40348	0.5
51.46186	1.0
55.37392	0.6
58.89292	0.5
59.01233	2.5
63.45162	0.6
68.99662	1.0
71.64394	0.6
78.60503	0.6
93.03316	5.2
96.59026	0.6
106.04081	0.8
107.04897	5.2
109.02821	0.8
115.05386	0.9
119.04852	1.6
121.02826	36.9
121.06258	0.8
122.03599	1.9
123.04391	0.7
141.06981	1.0
143.04881	1.7
156.05661	1.4
157.06467	5.9
169.06528	1.7
171.04416	0.9
173.06024	1.3
184.05287	1.5
185.05957	3.4
197.06047	2.8
198.06798	1.8
199.07549	0.8
209.06029	1.3
210.06757	2.1
211.07623	0.9
212.04752	1.2
213.05530	3.2
213.09253	0.8
214.06360	2.0
226.06303	0.8
246.05374	0.7
247.11253	0.8
251.50227	0.7
261.09250	0.8
275.10672	1.1
306.09091	1.5
324.27734	0.7
341.15485	1.8
353.15503	1.7
369.14969	3.7
379.13574	1.0
381.14990	14.6
383.12775	0.9
397.14456	2.5
406.94473	0.7
425.13980	100.0
426.14261	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	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92865	0.2
54.50168	0.2
71.99067	0.2
72.00763	19.6
73.46164	0.2
82.02827	0.4
82.26408	0.2
91.02062	0.2
96.95845	0.3
98.39798	0.2
99.97398	1.0
100.00261	100.0
100.02755	1.3
100.03897	6.8
101.00599	0.8
105.55048	0.2
105.88073	0.2
143.97939	0.9
144.02907	87.3
144.07373	1.0
145.03239	0.8
148.06180	1.4
317.02463	0.2
360.50754	0.2
399.64832	0.3
425.14383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1762
Annotation	Perrottetin E
Peak:m/z	Relative Intensity
51.46344	0.4
65.03815	1.1
79.05384	0.4
92.02530	3.0
93.03315	2.5
95.01256	0.3
106.04102	10.8
107.04886	34.1
107.07867	0.5
108.02038	1.1
108.05235	0.6
109.02811	0.3
117.20827	0.2
119.04891	0.4
120.12195	0.2
120.93874	0.2
121.02818	41.1
121.06390	0.5
121.94098	0.2
122.03148	0.7
122.03680	0.3
123.04348	0.2
127.70562	0.2
136.01529	0.2
137.02315	0.6
163.88342	0.2
183.08083	0.4
193.06609	0.2
195.08139	0.5
196.05203	0.3
196.08832	0.3
198.06763	0.3
209.06023	1.0
210.06816	2.8
211.07588	11.2
212.08351	2.2
213.09145	6.3
214.09439	0.3
225.09203	0.5
227.07138	0.3
228.05621	0.3
228.07880	4.8
229.08669	1.5
242.05832	0.4
244.01295	0.2
300.11685	0.5
305.11902	1.0
311.78049	0.2
317.11813	9.7
318.12582	6.5
319.13144	0.3
350.11615	5.2
351.11951	0.3
419.23178	0.2
425.17606	100.0
426.17963	9.1
431.23145	0.2
435.49762	0.2
441.69785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1761
Annotation	Perrottetin E
Peak:m/z	Relative Intensity
51.46339	0.2
56.26513	0.2
58.15861	0.2
59.01234	0.8
61.98677	0.3
65.03819	0.4
70.54338	0.2
72.64283	0.4
72.64629	0.2
79.05403	0.2
82.00437	0.3
92.02030	0.3
92.02531	2.6
93.03309	0.3
94.71790	0.2
95.01263	0.5
106.04105	8.1
107.01880	0.3
107.04890	14.4
107.07582	0.2
108.02041	1.5
109.02798	0.5
119.04845	0.4
121.02820	16.6
122.03172	0.3
136.01535	0.4
137.02345	1.1
170.15854	0.4
183.08064	2.1
196.05180	0.3
210.06804	3.3
211.07590	57.7
212.07927	2.1
213.19914	0.2
225.09158	3.3
242.05835	2.0
287.10577	0.2
298.09946	0.4
299.10724	1.7
300.11560	3.1
301.12131	0.4
305.11871	0.3
317.11832	10.0
318.12537	4.2
332.10614	1.4
333.11420	2.3
350.11621	4.0
400.57175	0.2
407.16559	10.0
408.16949	0.7
425.17615	100.0
426.17978	7.1
426.22549	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	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00050	2.1
59.01241	100.0
59.02569	1.4
63.14698	0.6
63.35229	0.6
65.07465	0.6
72.78652	0.6
73.65174	0.7
79.95605	1.3
96.95866	10.0
98.52575	0.7
136.33047	0.7
187.62323	0.8
198.87047	0.7
208.49841	0.7
425.17029	4.6
425.25775	16.0
426.26218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56081	0.2
59.01242	1.2
59.14711	0.2
61.97351	1.7
61.98693	100.0
61.99852	1.4
65.11110	0.2
91.72778	0.5
100.62459	0.2
110.98514	0.2
117.79521	0.2
158.69035	0.2
218.11024	0.2
390.04175	0.2
433.58273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65166	0.4
50.72425	0.3
51.73873	0.4
53.82262	0.4
57.24993	0.4
57.25366	0.4
60.18428	0.4
60.37331	0.5
61.97277	1.1
61.98692	100.0
61.99937	1.8
70.61932	0.4
70.69341	0.5
78.95763	0.5
80.12151	0.4
81.28361	0.5
87.12120	0.5
94.72262	0.4
303.77460	0.6
317.02142	0.6
355.38498	0.5
426.16785	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24042	0.6
59.01235	0.9
60.56470	0.5
63.02248	1.1
65.00193	2.1
78.08607	1.5
78.08995	0.6
83.01247	1.1
93.03323	0.7
102.05473	2.5
107.01255	4.3
117.03327	13.8
128.03365	3.1
149.02322	6.8
151.00252	7.5
159.04370	2.0
181.06609	1.2
183.04411	0.9
197.06036	1.1
201.05620	0.8
205.98898	0.7
223.86987	0.7
225.05504	2.5
227.03510	1.5
269.04572	100.0
270.04968	4.5
325.00333	16.4
326.00842	1.1
339.99008	19.4
340.14096	2.0
341.14563	1.3
343.00934	0.8
367.01370	60.9
368.01785	2.3
368.99133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.2
62.52382	1.1
75.32432	1.2
78.64153	1.1
93.23728	1.2
102.19475	1.1
107.04877	12.9
121.02834	4.5
121.05146	1.2
122.03616	13.5
169.47064	1.3
229.08673	100.0
230.08992	3.3
280.69061	1.3
391.14087	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80012	0.4
57.03317	34.0
57.04368	0.6
59.00977	0.6
59.01244	12.0
71.01239	5.0
71.80197	0.6
73.02811	1.5
81.87290	0.7
83.01263	1.2
85.02810	2.8
99.04373	29.1
99.06881	0.7
101.02306	10.0
113.02326	2.1
121.06461	100.0
121.09809	1.4
122.06790	2.2
125.02313	12.7
128.03415	0.9
143.03375	1.0
161.04451	3.9
203.05562	1.9
207.08032	0.7
226.18475	0.7
243.08867	0.9
247.48094	0.6
283.11823	0.9
296.13376	0.7
325.13309	1.3
328.23407	0.7
427.16098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2103
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
50.34196	7.4
51.01511	7.1
52.74659	8.2
54.00329	7.7
56.44947	7.4
59.01237	27.9
66.70145	7.3
69.59537	8.2
71.16550	7.7
91.73421	19.3
94.26784	9.2
124.69368	10.0
127.28380	10.0
215.12886	82.3
227.64046	10.3
267.03040	10.0
317.19592	21.3
336.41772	9.9
427.20969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	19.0
59.62054	4.6
61.98695	100.0
73.29375	4.7
84.34731	5.4
91.72648	4.9
92.41484	5.6
147.98170	5.6
202.84589	6.7
374.10059	5.9
427.18857	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	427.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52462	14.3
58.12864	14.9
59.01239	100.0
61.98685	46.9
96.95822	21.9
119.45825	16.5
124.33838	17.3
146.06099	16.3
187.07504	23.3
259.11188	18.7
259.13232	82.4
367.18188	90.2
427.17340	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	427.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36022	7.2
57.73401	8.5
59.01244	100.0
59.01462	7.7
61.98697	57.8
91.03919	12.0
91.33930	9.0
119.83818	8.8
138.19279	10.5
147.97781	12.8
221.15401	61.7
225.63945	10.3
361.27408	11.9
427.15610	16.4
427.27179	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	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80528	27.0
59.01234	100.0
60.57674	22.3
61.98689	30.0
68.54719	23.2
71.42801	24.5
98.26230	26.6
100.41699	26.4
138.31400	32.0
293.32541	35.3
297.32166	34.5
381.40582	48.1
427.27252	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1862
Annotation	7-Benzylidenenaltrexone
Peak:m/z	Relative Intensity
50.60529	0.2
54.91597	0.3
58.02830	0.5
59.01218	0.3
65.06434	0.2
67.14243	1.0
67.14622	0.7
68.86167	0.3
70.02834	1.3
71.04880	6.1
71.18660	0.3
75.28865	0.3
78.95789	0.3
87.05501	0.6
95.04895	0.4
96.95856	1.0
99.04390	1.8
101.82625	0.5
110.81582	0.4
116.07029	1.0
121.02852	0.5
124.07552	0.6
125.00536	0.7
125.57942	0.3
129.05414	0.5
130.03162	0.5
134.03612	2.6
139.99258	8.7
141.00002	0.7
146.08110	15.2
150.05499	10.2
152.07060	0.8
153.00041	7.5
154.00870	2.9
167.01598	0.4
176.07129	0.6
180.02449	0.5
183.03519	20.7
183.97249	0.9
184.04300	100.0
185.04568	1.5
210.05865	4.4
217.11865	1.4
227.08566	20.2
228.08734	0.4
277.12314	1.9
281.09598	5.3
298.12277	5.3
428.18628	96.2
429.18918	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	429.0826
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
57.03307	1.6
59.01242	8.8
61.98687	1.5
63.02265	3.0
63.33920	0.5
65.00200	1.0
68.99677	0.7
69.03330	0.7
71.01244	7.1
72.99183	1.2
73.02786	0.9
75.00730	2.8
83.01234	0.7
85.02804	15.4
85.03309	1.0
87.00721	2.8
89.02296	2.0
91.73412	1.3
95.01266	3.2
99.00741	5.3
101.03924	0.5
103.00233	2.5
107.01240	1.6
111.97542	0.6
113.02309	28.8
115.00249	1.6
117.01801	2.1
128.03424	0.6
129.01814	1.6
143.04909	1.9
145.02846	1.4
157.01241	0.7
165.06882	0.7
167.04892	0.9
175.02399	7.5
181.06535	1.1
185.05917	0.8
186.30748	0.8
209.06009	2.6
253.05054	100.0
254.05382	4.0
357.25262	0.6
429.08356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03635	0.4
50.05995	0.3
51.79951	0.4
53.41159	1.4
53.41389	0.7
53.92276	0.3
59.01223	0.4
59.97765	0.3
65.56097	0.4
69.85854	0.4
70.21632	0.4
71.13183	0.3
71.27997	0.4
72.00378	0.5
72.00764	8.6
74.02328	15.8
78.95750	2.1
87.00736	3.4
96.95904	0.6
116.04925	47.9
116.08245	0.6
117.05257	1.0
125.62999	0.4
129.05702	1.6
130.06491	13.1
131.06862	0.6
138.05472	1.2
142.06506	15.4
143.06844	0.5
157.07565	2.0
159.07860	0.8
159.09174	11.5
160.09584	0.5
161.04700	1.0
186.05504	1.6
203.08195	100.0
204.08469	3.3
225.06416	64.2
226.06786	1.9
269.05405	0.9
285.31830	0.4
424.90475	0.4
429.15445	27.6
430.15848	2.0
430.20905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	17.8
61.71594	5.0
61.98669	5.7
65.80795	5.8
70.86536	5.7
80.44045	6.0
97.66281	5.8
111.00726	9.1
128.03444	16.7
154.01279	11.2
174.09282	6.4
198.50444	6.2
210.08983	8.3
212.10747	10.3
256.09836	24.7
266.08112	7.0
301.20313	14.8
312.65833	7.3
317.19620	23.2
319.21268	100.0
429.16650	27.8
429.22546	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	25.4
59.12024	5.1
65.42410	6.0
71.01226	8.4
87.00723	9.5
88.06291	6.1
96.95905	7.3
99.18533	6.9
101.02276	7.4
102.45158	6.7
107.04894	18.8
110.70272	6.1
117.34095	7.2
122.03665	8.8
128.03386	13.5
193.92680	6.5
199.13406	10.6
229.08662	97.7
261.33813	7.5
269.04639	33.0
317.19714	16.4
319.21262	94.2
391.13809	10.0
429.16617	16.7
429.22501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38023	0.3
59.01243	100.0
59.02453	1.8
60.01572	0.4
61.92718	0.3
63.27235	0.4
63.58894	0.5
66.60064	0.4
71.01239	0.9
78.62121	0.4
91.73397	0.5
103.64732	0.4
108.69056	0.4
109.02876	0.5
122.03635	1.7
123.04402	0.9
126.87989	0.5
160.84163	1.0
173.43904	0.4
203.80084	0.4
222.65573	0.3
327.70038	0.4
351.23337	6.8
429.10907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76386	0.4
59.01242	1.0
61.98686	1.1
64.40638	0.4
71.01212	0.5
72.00764	11.0
73.85358	0.4
77.51483	0.4
85.02792	0.5
88.98664	1.3
91.05400	0.8
94.35883	0.5
96.95870	2.1
106.93341	0.5
110.84170	0.5
115.00266	0.5
119.04871	0.6
128.03354	1.1
131.04489	0.9
134.04594	2.8
147.04404	33.4
148.04718	0.9
149.05948	0.6
164.07068	100.0
165.07399	2.9
175.37181	0.5
313.88867	0.4
419.22165	0.5
432.53647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
59.01242	39.3
61.92512	1.0
61.98681	1.2
71.01242	16.0
75.90211	0.9
85.02812	3.4
85.07195	0.9
89.02292	17.2
95.01266	1.1
99.04375	25.7
101.02278	7.8
101.98397	1.3
113.02322	5.8
113.25059	1.0
113.49989	1.2
119.03400	5.7
127.71117	1.1
128.03523	1.1
144.97369	1.1
148.81361	1.1
179.05493	1.7
189.11305	1.2
189.12776	6.4
207.13843	26.0
208.14218	1.6
251.12885	100.0
252.13226	3.6
388.87485	1.2
431.19156	37.3
432.19644	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	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.6
59.17857	0.4
78.93954	1.0
78.95760	69.9
96.95892	0.9
96.96818	5.3
126.90258	0.5
145.02808	0.5
150.97929	1.3
152.94629	1.2
152.99474	100.0
153.99768	0.7
165.87335	0.6
171.00526	3.2
227.31570	0.4
242.06433	0.5
277.21768	1.5
311.16925	0.6
313.19522	0.4
353.21143	0.7
431.22122	11.5
432.22241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81927	0.1
57.06691	0.1
58.80377	0.1
59.01244	1.3
59.16883	0.2
59.17129	0.3
61.98690	1.2
62.96281	0.2
78.25238	0.2
78.93732	0.6
78.95760	49.3
78.97586	0.8
82.95265	2.0
96.96822	6.1
101.54864	0.2
150.97905	1.9
152.93983	0.8
152.99474	100.0
153.04346	1.3
153.99817	1.1
158.93790	0.2
163.65361	0.2
171.00546	3.9
195.17746	0.2
268.57413	0.2
277.21713	1.0
431.22012	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	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39985	19.9
56.85004	19.6
57.89034	19.2
59.01240	100.0
61.98682	23.4
62.20181	23.0
64.35049	19.9
67.33320	20.5
71.96716	19.9
79.54848	20.1
91.72920	82.1
96.95881	92.2
110.86253	28.4
114.94754	23.0
165.23010	27.5
181.90228	26.0
184.54039	25.3
221.28159	25.6
283.92068	29.6
289.14120	27.0
348.38565	29.3
392.02155	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	431.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55342	1.3
56.56262	1.2
57.03307	5.0
59.01245	8.7
61.98682	1.5
71.01240	8.8
71.04868	3.8
72.02024	10.3
73.02801	9.6
78.76883	1.3
80.91547	9.2
83.04868	2.3
85.06422	1.5
87.03838	3.2
87.04371	61.1
95.04889	4.0
97.06437	3.0
99.00491	3.1
99.04370	4.0
99.92436	3.3
109.06459	2.9
125.09498	2.0
127.11178	3.1
139.07544	17.5
139.11115	2.5
141.12788	1.5
149.13257	2.0
153.09096	18.1
153.12704	3.4
205.19536	7.8
233.22581	2.0
259.20786	2.7
261.22296	22.0
261.37823	1.6
269.22760	7.9
275.23889	3.2
277.21780	6.2
287.23822	21.9
300.15115	1.7
305.24881	100.0
306.25290	4.7
349.23849	14.0
387.25113	4.2
431.23859	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68556	0.7
51.71606	0.8
51.83207	0.7
55.65012	0.7
56.02230	0.8
57.20975	1.0
59.00044	1.7
59.01242	100.0
60.56187	0.7
61.98678	1.2
63.47487	0.8
67.36103	0.8
69.03307	0.9
71.01233	2.6
74.28279	0.9
78.95760	17.3
89.87439	1.1
95.04895	2.7
96.95880	2.2
96.96809	2.7
97.02800	5.6
98.48818	1.0
99.62402	1.1
106.04082	2.6
107.04889	7.0
109.02798	6.5
121.06458	6.4
122.03613	1.1
123.04385	7.8
142.54749	1.0
148.05223	1.4
149.05971	43.0
152.99474	28.2
159.55838	1.0
173.13304	2.4
183.01160	1.2
185.13292	1.2
187.11298	1.1
199.14842	1.3
211.14888	1.7
214.09868	1.9
239.14407	1.2
240.15173	3.1
250.43904	1.1
255.13881	5.1
283.13120	1.5
291.21252	1.3
335.20172	2.8
353.21268	29.4
354.21503	2.0
431.21997	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00033	2.0
59.01243	100.0
60.01573	1.5
61.98673	1.7
65.61998	1.4
78.95728	1.4
85.71875	1.3
131.07986	1.5
145.02847	2.7
163.16516	1.4
168.01317	1.9
204.13019	1.7
229.90565	1.4
266.03357	1.8
297.24353	8.4
408.71112	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	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10698	0.6
59.00091	1.8
59.01243	100.0
59.02529	1.5
63.57898	1.0
73.51109	0.7
76.82158	0.7
92.92784	0.6
122.73149	0.7
131.18024	0.8
136.36578	0.7
141.70715	0.8
152.99527	0.7
161.40808	0.8
177.60252	0.7
251.24025	2.3
297.24329	9.1
297.27249	0.8
302.25577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63706	1.8
59.01240	100.0
67.57623	1.9
79.93615	1.6
107.14537	1.8
207.92354	1.9
229.39375	2.0
297.24295	10.3
435.06076	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	432.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46336	0.9
50.46535	0.4
50.80775	0.5
51.42728	0.5
58.02564	0.8
58.02840	10.0
58.03127	0.9
58.04696	0.4
58.99493	0.5
66.03351	1.1
66.37167	0.6
70.02835	1.6
71.01226	0.8
72.00766	1.8
74.02331	22.8
81.04433	1.5
82.02850	2.4
84.04417	1.2
85.03938	0.7
86.02335	10.7
86.05975	2.2
86.98975	1.1
87.05493	5.7
88.03893	1.3
90.00048	1.9
91.72704	2.0
95.02394	0.7
96.04429	1.0
97.03943	3.1
99.05501	22.1
100.00251	0.7
101.07084	3.6
102.05486	3.3
107.06030	1.4
108.04403	0.6
109.03963	3.5
109.07553	1.5
110.02327	0.6
111.05489	1.4
112.03902	3.4
113.03432	1.0
113.07098	0.5
113.09586	2.3
115.04905	0.7
116.01630	1.2
120.01105	2.2
123.05521	2.4
123.61665	0.5
124.03890	1.4
125.03437	2.6
126.01945	0.7
126.04250	0.8
127.04998	4.2
128.03410	61.6
129.03767	0.9
129.99586	0.8
131.04492	1.2
135.05521	6.3
137.07085	1.8
139.08575	0.8
141.06581	6.1
142.99963	1.0
143.04510	83.8
144.04886	1.1
145.06094	3.7
146.04480	8.1
149.07106	0.7
153.06584	5.9
155.08147	1.5
160.00630	19.7
166.09734	3.9
167.04526	5.5
167.08238	2.6
170.03242	1.6
171.03940	1.5
171.07631	1.0
177.03328	9.3
179.04539	18.4
180.07687	0.7
181.06075	2.6
184.10880	0.9
185.05609	3.8
192.07727	1.9
197.05553	3.2
198.08763	1.0
202.27600	0.5
204.13908	0.5
210.08784	16.9
228.09892	1.6
236.06769	0.7
242.07845	1.6
242.72887	0.6
254.07832	27.3
255.08165	0.8
272.08905	41.9
273.09082	0.9
288.06635	13.0
299.31027	0.7
306.07675	100.0
307.07953	3.8
349.94962	0.6
384.91623	0.6
414.17203	0.6
415.10028	0.7
432.18201	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	433.2361
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.67984	0.6
58.87665	0.5
59.01244	7.8
61.98681	1.9
64.56786	0.6
66.75668	0.5
70.34628	0.6
71.36570	0.5
73.22903	0.6
78.93768	0.8
78.95758	50.0
94.02758	0.6
96.96815	6.4
150.94427	0.7
150.97888	1.9
152.99471	100.0
153.99687	1.0
171.00554	3.9
192.95985	0.9
336.51581	0.7
433.23785	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	433.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32522	2.3
59.01244	21.8
63.24955	2.5
72.58124	2.5
73.02850	2.4
85.13450	2.5
87.04366	4.8
88.58187	2.6
93.28124	2.8
113.15430	2.7
152.99496	3.9
202.91786	3.1
204.16295	2.9
289.25238	3.9
307.26511	17.8
319.22824	18.0
351.25412	100.0
406.47583	3.2
427.03226	3.2
433.05368	3.2
433.25595	23.0
449.69644	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	433.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82981	0.9
59.00018	1.7
59.01243	100.0
59.02381	1.6
66.88544	1.0
75.00751	2.8
75.45015	1.0
79.73577	0.8
85.05251	1.1
246.63768	1.1
253.25496	1.1
291.72238	1.4
299.25958	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71196	0.3
58.99987	1.6
59.01241	100.0
59.02327	1.3
60.24007	0.3
63.58010	0.3
68.65278	0.4
85.73139	0.3
88.01879	0.3
103.19920	0.4
125.60507	0.4
145.17738	0.4
149.14293	0.3
152.99374	0.5
174.83405	0.3
208.62163	0.4
215.05095	0.4
253.25378	2.3
255.23427	1.0
299.25916	7.7
448.37985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1967
Annotation	Cryogenine
Peak:m/z	Relative Intensity
51.44698	0.7
52.95826	0.7
55.48713	0.9
57.17241	1.0
57.73943	1.3
58.02838	13.4
60.44731	0.7
61.98690	1.0
66.03352	1.7
72.00739	1.3
73.07772	0.8
74.02329	24.7
81.04435	2.0
82.02844	5.3
83.02335	0.9
84.04401	2.1
84.76463	0.9
86.02329	12.7
86.05962	2.3
87.05505	6.1
88.03909	1.0
96.95883	0.9
97.03915	3.6
97.70280	0.9
99.05498	30.6
101.07063	4.7
102.05462	5.6
107.05968	1.4
109.03963	5.0
110.37874	0.9
111.05493	3.1
112.03889	2.9
113.03455	1.1
114.52402	1.3
116.54166	1.0
120.89922	0.9
123.05494	2.2
124.03919	2.3
124.07580	0.9
125.03475	4.9
127.05013	4.7
128.03407	78.3
128.07184	1.1
129.03741	1.1
135.05544	9.0
136.51187	1.0
137.07068	1.7
141.06563	5.6
143.04506	100.0
143.08968	1.4
145.06082	4.5
146.04485	10.0
153.06573	6.6
155.08151	1.5
161.09952	15.4
166.09779	4.0
167.04524	4.6
167.08171	6.9
170.03255	3.0
171.03990	2.9
179.04532	25.8
181.06065	2.0
185.05612	3.2
192.07684	3.7
196.76538	1.1
197.05623	5.2
210.08801	23.4
222.62723	1.0
228.09947	1.6
236.06581	1.6
254.07820	48.0
255.08232	1.8
272.08905	56.9
273.09048	1.3
305.15411	8.1
309.94345	1.1
362.25558	2.5
390.25192	2.4
416.18668	11.2
434.19659	81.4
435.19971	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	434.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85907	1.0
56.46249	1.2
57.03321	1.2
61.97386	2.0
61.98692	100.0
67.17815	1.1
67.25865	1.2
72.02037	1.6
73.02824	2.3
78.95798	1.8
82.95302	3.0
84.00739	1.1
87.04363	8.2
90.26598	1.2
93.03326	1.3
96.95872	1.4
97.30828	1.2
101.48573	1.2
101.97945	19.1
112.38033	1.5
116.96697	3.0
122.90685	1.5
139.07591	1.7
145.14435	1.2
152.99455	1.7
153.09143	1.9
205.19647	1.4
233.22855	2.0
259.20767	4.6
261.22333	3.2
305.24973	11.9
344.18478	13.4
362.19760	3.8
390.22638	16.1
434.21591	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	434.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21432	0.6
50.40576	0.5
50.49858	0.6
55.63084	0.6
57.25763	0.6
59.01242	1.5
61.97265	1.1
61.98694	100.0
61.99988	1.8
78.15886	0.7
79.37540	0.6
109.19357	0.7
110.33803	0.7
117.03355	1.2
145.02869	3.3
153.73593	0.8
154.05991	0.9
271.40808	0.8
287.22336	1.1
288.22894	0.8
304.09570	0.9
315.76520	0.8
339.41113	1.0
375.14996	1.2
409.76099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.5
60.03794	1.3
60.12415	1.3
66.35953	1.4
66.46443	1.3
69.34592	1.4
80.86992	1.5
97.74679	1.4
102.46758	1.5
106.66412	1.7
133.55711	1.7
142.20720	1.9
149.86594	1.7
152.91599	2.9
194.95480	2.0
204.48854	1.8
271.07544	2.5
272.01077	2.2
287.07132	4.7
288.07925	3.7
299.07135	2.3
300.07858	2.3
312.07755	1.8
315.06766	2.6
316.07300	4.8
350.13181	2.9
351.14053	3.1
352.91574	3.2
362.12885	3.1
363.13971	6.9
379.13419	4.1
391.13400	5.9
407.12878	7.8
435.12415	100.0
436.12756	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	435.1297
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
52.16006	0.2
59.01239	0.6
62.19780	0.2
65.03822	0.5
66.66904	0.2
71.01243	0.3
76.12100	0.2
76.93432	0.3
85.01734	0.2
92.02592	0.3
93.03299	1.4
97.19453	0.3
106.04132	0.5
107.01839	0.6
107.04887	49.7
108.02038	0.5
108.05221	1.0
109.02826	1.0
119.04888	0.3
120.99242	0.3
121.02821	21.6
121.99959	0.5
122.03604	44.4
122.06857	0.4
123.03932	0.9
124.01521	1.0
131.04945	0.3
133.02831	0.4
135.04396	0.6
136.01541	0.3
136.05202	0.3
137.02315	2.2
147.04424	0.4
150.03113	5.5
151.03888	2.0
153.01910	0.3
154.02617	2.4
161.06065	0.3
182.02144	1.6
211.07613	0.5
225.83426	0.2
227.07069	0.8
228.99167	0.6
229.08665	68.5
230.09007	2.6
241.08730	0.4
255.06589	1.6
257.08139	0.2
269.08246	0.4
271.09915	0.4
272.06882	0.8
273.07703	51.1
274.08060	2.1
283.09805	0.4
285.07697	0.2
315.08868	0.8
327.08893	0.2
345.09970	0.3
373.02426	0.2
421.41025	0.2
435.12991	100.0
436.13336	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	435.1299
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
52.44090	1.0
52.44305	0.3
56.50729	0.3
57.03313	0.7
59.01231	1.1
65.03820	0.7
67.01752	0.8
71.01241	1.7
74.09306	0.3
75.39610	0.3
76.93430	0.5
79.05395	1.3
81.01479	0.5
81.03313	31.1
83.01260	0.6
85.02799	1.4
87.75320	0.3
89.02304	0.4
93.03310	5.5
95.01247	0.8
99.04395	0.7
101.02304	0.7
105.03329	0.7
106.04102	4.9
107.01260	0.5
108.02037	1.5
109.02823	3.6
113.02309	0.4
115.59263	0.4
121.02828	0.6
122.03625	1.9
123.00947	1.3
123.04389	100.0
123.08271	0.8
124.04765	1.8
125.02355	0.9
132.06311	0.4
137.02345	0.9
138.03101	1.5
147.04350	0.5
149.02342	5.2
159.44037	0.3
167.03412	0.4
171.07701	0.4
185.05994	1.2
187.07567	1.2
194.95515	0.5
197.08704	0.4
198.01639	0.5
211.07684	0.7
227.07115	2.1
229.08667	78.6
230.09000	3.4
255.06622	20.5
272.96295	0.7
273.07709	44.1
274.08075	1.7
339.15393	0.4
435.12994	80.6
436.13303	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88203	0.4
57.03310	1.2
59.01249	2.6
61.98684	0.8
69.87932	0.4
71.01234	0.6
78.68198	0.4
83.35390	0.3
92.65508	0.4
96.95872	0.9
98.95484	0.4
99.04359	1.1
101.02303	1.1
108.78610	0.4
125.02301	0.6
132.04382	0.5
144.08043	0.9
146.03561	0.9
169.07582	0.5
179.07014	1.6
184.08643	1.1
191.07108	0.7
195.06557	0.8
197.05865	1.3
198.04060	0.6
198.06602	0.5
212.08253	11.3
240.06502	5.1
241.07274	2.2
255.08867	100.0
256.09143	3.5
257.10376	0.6
291.98907	0.5
330.65680	0.4
375.13376	3.8
395.57816	0.4
399.12643	0.7
435.14951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.2
59.01235	0.6
61.71194	0.2
61.72144	0.2
68.12024	0.2
71.01238	2.0
73.02804	0.7
77.09374	0.2
81.24101	0.2
83.01238	0.2
84.79873	0.2
85.02819	1.0
89.02287	0.4
93.03316	8.2
95.01225	0.3
99.00782	0.2
99.48149	0.2
101.02301	1.2
107.10429	0.2
108.02024	1.8
109.02831	0.2
113.02323	1.1
118.03590	0.2
120.99400	1.5
121.02820	100.0
121.06727	0.9
122.03661	6.0
134.03603	0.3
135.04390	0.5
136.01602	0.4
136.05150	0.9
146.03595	0.3
147.04352	0.2
150.03120	1.6
151.03787	0.2
152.07011	0.2
154.02470	0.2
159.02885	0.3
161.04431	1.0
162.03175	0.4
164.04619	0.3
175.03833	0.3
176.04686	0.3
179.07103	0.2
225.05338	0.2
241.05016	0.6
242.05806	1.2
243.06593	0.4
256.07397	0.3
257.08115	0.7
258.08954	5.7
259.09479	0.4
271.09732	0.7
271.73303	0.3
272.10559	39.9
272.99738	0.7
273.11334	63.3
274.11591	2.2
284.50650	0.2
285.11337	0.8
287.09366	0.3
287.12762	0.4
297.11316	0.8
305.10480	0.2
315.12393	3.8
316.12784	0.2
327.12396	1.7
435.16541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09773	0.4
57.02207	1.9
57.03318	100.0
57.04574	1.2
58.03654	1.1
59.00076	1.7
59.01243	82.1
59.02564	1.1
60.01587	0.5
71.01239	16.4
73.02806	7.8
78.66400	0.5
81.03317	1.6
83.01241	6.2
85.02798	11.3
86.59409	0.4
87.00751	1.2
89.02296	1.5
91.73043	1.5
94.77108	0.6
95.01227	0.8
97.02817	0.8
99.00763	3.3
99.01828	1.3
99.04378	91.9
100.04740	0.8
100.99660	0.7
101.02303	41.9
103.60994	0.6
109.71945	0.5
113.02310	9.7
118.47224	0.4
120.01143	0.9
122.60764	0.5
125.02314	27.5
126.36010	0.5
129.01788	0.6
143.03342	2.1
159.02925	1.3
161.04459	6.8
179.07050	0.6
224.89038	0.5
267.19547	0.6
291.18146	37.6
292.18341	1.7
313.20029	1.1
333.19083	1.6
373.22205	1.0
375.14587	0.6
418.22165	0.5
435.21930	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	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04804	0.5
54.93853	0.5
59.00069	1.9
59.01242	100.0
59.02559	1.4
61.42390	0.5
62.32903	0.7
73.13570	0.6
74.36893	0.7
78.95797	1.1
85.87691	0.6
88.54119	0.6
92.92682	0.8
96.95884	0.7
104.03145	0.7
110.70044	0.7
128.15321	0.7
132.75360	0.7
152.99515	2.3
269.84341	0.7
435.14276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12616	1.4
57.22487	1.3
59.01242	100.0
59.02428	1.6
78.95770	7.2
89.02302	1.9
92.92646	2.4
95.78584	1.1
96.95850	1.7
96.96812	1.4
107.49779	1.4
109.01479	1.3
116.92551	1.3
136.82281	1.5
152.99467	9.2
184.23726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	100.0
62.00003	1.9
62.32076	0.5
62.33065	0.5
68.69059	0.6
83.20552	0.6
84.03439	0.6
104.04931	3.4
106.06508	1.6
108.04391	3.6
114.24216	0.6
121.83105	0.7
122.06029	1.4
132.00778	0.7
132.04425	29.5
133.04788	1.0
134.05997	14.2
135.27721	0.6
148.03955	7.3
152.07062	44.5
153.07472	0.6
160.04012	0.7
176.03456	7.4
176.61859	1.9
188.03516	1.1
188.32399	0.7
191.15236	0.6
208.06084	9.7
251.11899	1.0
267.11356	1.1
273.12463	1.8
287.46024	0.6
297.12488	12.9
311.10605	2.2
313.12100	1.5
315.36227	0.7
341.11423	27.0
342.12009	0.9
354.38599	0.7
373.14050	75.2
374.14508	3.8
459.16571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93263	0.8
56.91558	0.7
58.04760	0.7
59.01234	0.9
59.33027	0.7
60.85567	0.8
61.98703	0.9
63.28919	0.8
65.03829	1.8
66.05195	0.8
67.01749	10.4
78.95765	2.9
80.76803	0.8
82.58829	0.8
85.02795	0.7
87.87269	0.8
89.02288	0.7
93.03320	6.8
94.92381	2.7
95.51260	0.8
96.53813	0.8
96.95879	3.2
106.12983	0.9
109.02814	45.5
110.03149	1.1
117.19654	0.9
120.99014	1.1
121.02822	100.0
121.71104	0.8
122.03153	1.6
131.47734	0.9
138.69547	0.8
149.43011	0.9
152.91699	4.9
185.06053	0.9
186.06805	3.2
187.07573	1.5
230.05833	6.2
230.96613	1.0
231.06598	81.0
232.07050	2.8
232.88605	4.4
250.88586	4.6
283.69907	1.1
314.34772	1.0
315.86728	1.0
418.96356	1.8
437.10706	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	437.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96032	0.2
61.98694	0.2
80.92723	0.2
87.05875	0.2
91.72729	0.2
91.73222	0.2
92.26024	0.2
93.03312	2.4
97.26636	0.2
106.04105	0.5
107.04892	4.3
108.02023	0.3
115.05417	0.3
117.03342	0.3
119.04836	0.3
121.02820	11.0
122.03680	1.0
124.01581	0.2
131.04865	0.2
136.01543	2.0
143.04901	0.8
153.07024	0.3
156.05594	0.2
157.06436	0.3
165.06964	0.4
167.04932	0.9
167.08603	0.3
169.06490	1.1
171.04488	0.4
171.08076	0.3
180.05717	0.4
181.06454	0.5
182.03658	0.2
183.04405	0.6
184.05229	1.6
185.06003	0.7
195.04443	1.7
195.08145	0.3
196.05235	0.8
197.06026	4.3
198.06696	0.6
208.05240	0.6
209.06024	2.3
210.06804	0.7
211.03923	0.8
211.07553	1.6
212.04753	1.4
213.05441	0.6
213.09102	0.5
222.06805	0.3
223.03949	1.3
224.04749	12.2
225.05519	4.5
226.06294	1.4
227.07191	1.0
228.07837	0.4
229.08580	0.4
239.03516	0.7
239.50421	0.2
240.04253	6.2
241.04889	1.5
257.09668	0.4
258.10379	0.3
259.07678	0.2
259.11279	0.4
272.22217	0.3
273.09109	0.6
274.10016	0.5
275.10815	0.5
285.09225	0.6
286.09836	0.3
287.10779	0.4
289.08777	0.3
301.08618	0.8
302.09436	0.7
303.10141	0.3
312.07910	0.6
313.08820	0.5
318.08875	0.3
329.08139	1.3
330.08981	2.1
331.09824	3.4
362.07996	1.0
363.13611	0.3
365.15442	0.3
381.14890	0.8
391.13675	0.3
393.15079	0.3
396.21478	0.2
409.14441	1.1
419.13208	0.5
437.13953	100.0
438.14297	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	437.1395
Annotation	Ptychantol B
Peak:m/z	Relative Intensity
54.89413	0.4
58.77592	0.4
59.01242	4.1
68.70240	0.5
84.00219	0.4
85.52299	0.5
93.03304	1.6
107.04879	1.8
114.52022	0.6
119.04946	1.1
131.31012	0.5
151.43718	0.5
196.05315	0.7
211.03963	0.6
211.07576	0.6
223.07587	0.8
259.07690	0.9
260.08682	0.6
261.09204	1.1
262.09665	0.6
263.16544	1.9
271.07697	1.2
272.08417	0.7
273.09091	1.8
275.10806	2.1
281.19913	0.5
283.07562	0.7
285.09219	0.9
288.07599	0.7
289.08707	1.6
299.06870	0.6
300.55826	0.5
301.08698	1.6
302.09607	1.0
303.10333	2.0
313.08633	1.0
315.06686	1.0
317.08237	1.5
329.08075	2.7
330.09015	2.9
331.09793	4.7
345.07642	0.6
346.08316	0.8
363.13919	0.6
377.11597	0.6
391.13452	1.0
419.12875	1.8
425.95734	0.7
437.13947	100.0
438.14246	7.3
448.18375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1757
Annotation	Riccardin A
Peak:m/z	Relative Intensity
53.54217	0.4
53.80777	0.5
57.88101	0.4
59.01225	1.5
64.72014	0.5
70.27102	0.5
75.91338	0.5
77.89232	0.4
85.95391	0.5
100.22985	0.6
120.04244	0.6
121.02839	4.2
182.07281	1.3
183.08037	0.6
194.07217	0.8
196.05194	2.1
197.05945	1.1
198.06781	4.9
206.07317	3.4
209.05936	3.7
210.06825	9.7
211.07431	1.3
242.05859	0.6
299.10886	1.3
300.11319	0.7
403.13400	8.7
404.13922	2.7
405.14883	4.5
421.14407	6.3
422.15256	3.0
437.17618	100.0
438.17926	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	437.1757
Annotation	Riccardin A
Peak:m/z	Relative Intensity
50.46221	0.7
53.62058	0.6
59.01231	3.0
61.98679	2.2
63.88111	0.7
92.92676	1.3
93.03332	1.1
119.04900	2.5
121.02808	3.8
124.90685	0.8
143.73318	0.8
159.81367	0.8
175.39346	0.8
181.06493	1.3
187.24261	0.8
196.05307	0.9
198.06670	0.9
207.08118	2.6
209.05963	4.8
210.06827	11.0
223.07626	1.8
242.05821	3.4
298.09988	1.6
300.11636	1.1
313.12375	1.7
359.21658	1.2
368.58313	1.0
387.14008	1.7
403.13397	3.8
404.14120	3.4
419.16580	3.1
421.14401	9.0
437.17645	100.0
438.17844	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	437.1759
Annotation	Riccardin A
Peak:m/z	Relative Intensity
61.98681	1.9
93.03328	2.5
116.86213	1.3
121.02819	18.9
122.03524	1.5
123.85941	1.2
129.28047	1.2
139.03862	3.7
147.77576	1.2
197.06050	2.0
209.05994	2.1
211.07700	1.5
225.05576	7.0
227.07082	2.1
315.10260	2.1
316.11005	6.8
317.11771	3.6
318.70190	1.4
325.18393	3.9
329.11819	2.2
419.28494	1.7
421.14246	8.9
422.15320	7.8
437.17627	100.0
438.18079	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	437.176
Annotation	Pakyonol
Peak:m/z	Relative Intensity
59.01234	3.0
63.95038	1.0
105.91546	1.1
118.02846	3.7
119.03175	1.3
121.02826	4.2
146.02380	8.7
147.02667	1.7
152.99516	7.2
198.06755	2.3
209.06100	2.1
210.06750	3.9
226.06342	1.2
257.22693	1.7
301.21759	8.3
351.25955	1.2
422.14694	1.5
437.17584	100.0
438.18048	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	437.2547
Annotation	ent-13S-Hydroxy-14R,15-diacetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
51.30729	0.1
52.96265	0.1
54.02506	0.1
58.99966	1.6
59.01243	100.0
59.02349	1.7
60.01581	0.4
63.56547	0.1
67.91380	0.1
71.01242	1.1
71.35139	0.2
74.51498	0.2
89.34279	0.2
109.80147	0.2
163.11014	0.2
273.18597	0.3
305.21231	1.8
327.19836	0.7
345.20679	1.2
377.89105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2675
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
54.56342	0.3
55.29754	0.2
59.01233	1.1
60.55267	0.2
76.10002	0.2
78.95759	13.9
82.02229	0.4
84.06784	0.3
86.73928	0.3
96.81488	0.3
122.98437	0.4
124.99954	4.5
139.38255	0.3
152.99481	3.2
166.54703	0.3
181.02621	9.3
199.03650	2.6
255.12573	1.0
255.23291	100.0
256.23608	3.3
304.85916	0.3
376.43723	0.3
436.85248	0.3
437.26721	17.5
438.26984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96242	1.1
57.08408	1.1
59.00134	2.1
59.01242	100.0
59.02462	1.7
59.28411	1.2
64.43629	1.1
70.01026	1.1
74.26234	1.2
88.39542	1.1
88.49333	1.3
94.92331	1.5
96.95876	2.1
97.59652	1.1
101.95201	1.2
103.01772	1.3
104.88929	1.2
111.71525	1.3
119.70265	1.4
121.36674	1.3
122.62905	1.3
166.07831	1.4
178.12477	1.2
183.01158	3.7
192.67781	1.4
236.13580	1.3
255.23213	1.6
339.20065	11.2
383.78174	1.3
391.67355	1.7
393.04553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00002	1.7
59.01243	100.0
59.02317	1.3
60.01589	0.7
66.27110	0.1
71.73826	0.1
78.95760	2.3
115.64848	0.1
123.37189	0.1
124.99978	0.6
152.99496	0.5
181.02629	1.1
181.04149	0.1
183.01152	0.2
199.03763	0.3
255.23300	12.9
256.23755	0.5
339.20081	0.6
437.26749	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	437.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	62.3
64.50690	49.5
65.34135	69.2
69.21755	52.4
74.62261	57.5
77.99876	50.6
80.07129	53.2
94.92372	100.0
135.89529	62.4
139.10095	71.4
148.14096	71.8
182.25826	58.8
301.00635	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	437.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30828	69.4
58.58459	76.3
61.45333	65.8
70.91057	63.5
101.06335	78.6
104.08096	74.9
122.23129	87.5
171.33789	98.1
171.56065	83.7
175.31758	95.2
250.30615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40002	0.9
57.03315	0.9
59.01231	1.5
61.93486	1.0
61.98691	23.8
62.59951	0.9
66.31883	1.1
67.99281	1.2
68.99676	14.4
70.13701	0.9
71.01266	1.4
80.04913	17.5
96.95872	1.9
104.04893	1.5
108.04433	3.2
114.05423	1.5
116.26557	1.2
120.04418	33.1
121.09551	1.1
122.05973	5.1
125.02336	1.1
132.04431	100.0
133.04767	2.8
134.06026	1.4
138.05470	3.3
150.00797	1.5
150.05492	36.3
162.05496	1.9
168.06573	34.7
184.64078	1.3
216.03548	1.4
255.11581	2.5
265.09903	2.2
283.10931	1.3
295.10895	1.3
295.36261	1.3
313.11963	58.0
313.15640	2.7
314.12183	2.2
324.19525	1.4
331.13016	57.8
332.13382	2.0
375.11972	21.6
376.11798	1.5
386.98907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97669	0.7
53.75046	0.7
59.01223	2.1
78.95765	13.7
84.13211	0.8
89.91885	0.8
96.95886	1.0
103.32776	0.8
121.02819	5.9
136.01553	1.5
140.01053	4.3
152.99524	1.1
196.03767	8.2
207.16193	1.2
210.06943	1.1
225.05521	2.4
226.06250	5.0
227.06911	1.0
241.21712	100.0
242.22101	2.8
329.86624	0.9
333.11304	1.2
349.12564	0.9
438.18549	1.3
438.26309	23.8
439.15469	31.1
449.30792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42102	0.2
61.54113	0.2
68.76526	0.2
69.23865	0.2
69.30564	0.2
78.93674	0.5
78.95761	41.6
78.97588	0.7
80.56334	0.2
96.93989	0.7
96.95932	5.7
96.96821	100.0
96.99273	1.5
121.92362	0.4
129.80321	0.3
171.88513	0.2
229.97092	0.3
245.14543	0.2
254.05284	0.3
417.41156	0.3
439.08652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11726	0.2
59.67369	0.2
62.96276	0.5
63.51758	0.2
63.53833	0.2
65.09214	0.2
68.22017	0.2
68.45219	0.2
70.14333	0.2
70.66983	0.2
75.33021	0.2
78.93826	0.6
78.95758	41.3
81.32789	0.2
96.94167	1.3
96.95909	12.7
96.96817	100.0
96.99113	1.1
121.92356	0.3
139.20062	0.2
188.15526	0.2
232.01811	0.2
282.16177	0.3
352.15414	0.2
439.08649	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	439.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	3.3
59.26336	1.1
72.31526	1.1
72.97421	1.1
74.14493	1.2
77.01375	1.1
79.95590	1.9
86.50777	1.2
96.95867	100.0
136.39975	1.3
178.73061	1.3
192.95821	2.6
206.62625	1.6
222.50301	1.8
272.73654	1.4
334.07758	2.5
341.15210	6.8
379.09897	8.3
380.08112	10.8
390.10110	1.8
424.07104	2.2
439.11688	4.8
439.16486	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	439.1548
Annotation	Neomarchantin B
Peak:m/z	Relative Intensity
57.78494	0.8
57.85771	0.8
59.01242	5.7
61.98696	13.1
69.03292	1.3
91.73160	2.3
95.01215	1.8
96.95850	2.4
97.02791	2.0
108.02035	6.8
121.02865	1.7
123.00770	11.5
123.04360	1.1
124.01544	8.9
125.02287	3.5
130.04105	3.8
131.04883	4.5
132.98141	1.1
136.09296	1.0
137.02338	1.6
156.90315	1.4
174.99130	8.3
192.95773	1.8
196.05244	2.5
205.06516	2.1
207.08090	3.8
209.06000	2.3
210.06874	1.5
213.05714	1.2
223.07594	6.0
224.08403	22.0
225.09187	8.2
226.06281	2.4
246.05234	1.4
256.07388	18.5
265.78619	1.6
279.09119	4.7
283.08377	1.8
287.10580	1.6
315.10324	4.7
321.10211	38.3
329.11929	2.9
330.12497	2.0
331.13486	8.3
333.10953	1.6
336.76797	1.1
379.14349	7.0
421.14618	9.5
422.15588	1.8
439.15500	100.0
440.15933	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92473	0.4
80.16356	0.4
80.53029	0.4
85.16647	0.4
91.01752	0.6
93.03336	3.1
107.04884	1.2
108.02051	1.2
109.02798	1.2
121.02837	2.1
122.03606	4.1
123.04403	2.1
136.01491	0.6
137.02356	2.4
138.03056	2.1
139.03947	0.5
171.08026	0.5
179.71033	0.5
183.08047	1.2
197.05989	0.7
198.06647	0.5
199.07542	1.2
209.05974	2.0
210.06839	1.4
211.07660	2.6
212.08380	1.7
213.09206	2.3
223.07639	0.8
224.04758	1.1
224.08276	0.5
225.05542	6.2
226.06401	3.3
227.07091	1.6
229.08644	0.6
241.05040	0.8
242.05734	0.7
244.07391	0.5
263.10959	0.5
301.12308	1.4
315.10349	0.8
316.11002	1.2
319.13452	0.8
331.09860	1.5
332.10458	2.0
333.11288	2.2
395.16208	0.8
397.14526	0.9
411.15836	1.4
421.14343	1.4
439.15530	100.0
440.15869	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	439.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56223	0.3
52.04263	0.4
53.02626	0.3
53.77993	0.3
66.63274	0.3
76.63770	0.5
76.64159	0.4
93.03318	1.7
104.10292	0.4
106.04112	1.6
107.04895	2.1
109.02792	1.2
121.02822	16.8
124.01484	0.7
136.01538	7.0
137.02307	1.5
169.06531	0.7
171.08014	0.7
182.07346	0.6
183.04332	0.5
183.08128	1.0
190.66170	0.4
196.05205	0.5
197.06036	2.8
198.06808	0.9
199.07599	1.4
202.53278	0.4
208.05247	1.1
209.06017	1.3
210.06827	0.5
211.03885	0.8
211.07585	2.2
212.04788	0.7
212.08273	0.6
213.05540	0.5
213.09114	0.5
224.04565	0.4
225.05516	3.9
226.06322	17.8
227.07082	4.1
228.07919	0.9
239.07190	0.4
242.05826	1.3
258.05435	1.8
315.10297	2.3
331.09778	0.6
332.10587	1.5
333.11340	10.1
399.19205	0.4
411.16556	0.4
421.14407	0.6
432.53052	0.4
439.15521	100.0
440.15881	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	439.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30676	1.3
59.01232	5.4
60.46228	1.7
68.80246	1.9
75.90166	1.8
96.95863	8.9
104.96583	1.7
109.02816	4.3
113.50604	1.8
128.78006	1.8
137.02306	5.6
140.85246	2.0
164.21579	2.2
192.95860	5.4
195.08086	3.5
210.06764	4.2
211.07666	2.7
213.09229	2.2
226.06320	2.2
301.62598	2.3
315.10162	6.3
317.11908	3.9
329.11880	3.3
406.15262	2.3
421.14230	4.3
438.14264	3.6
439.15378	100.0
440.15671	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	439.1551
Annotation	Neomarchantin B
Peak:m/z	Relative Intensity
50.88298	1.0
59.01247	6.5
61.98682	8.5
67.04955	1.0
73.26006	1.1
83.46463	1.3
89.68073	1.2
95.43049	1.3
96.95868	3.8
97.49956	1.1
108.02026	1.4
116.33166	1.4
121.02819	31.0
136.01646	1.6
192.95815	3.7
195.08092	10.8
196.05305	1.7
209.05859	1.7
210.06775	3.5
211.07639	5.0
213.09148	4.1
222.06891	2.5
226.06358	3.5
250.73869	1.5
271.11292	2.2
314.09460	1.5
315.10333	5.1
317.11755	3.0
319.12341	1.5
361.19995	1.8
379.13666	2.1
403.13275	7.3
421.14478	100.0
422.14810	7.3
439.15540	49.3
440.16010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89061	0.4
59.01245	0.5
74.91280	0.4
77.83733	0.5
78.21548	0.4
78.63037	0.4
93.03339	0.8
94.37098	0.4
96.95855	2.2
108.02014	0.7
119.04871	1.4
121.02804	0.9
128.01527	0.5
136.01488	1.7
137.02350	0.5
157.37737	0.5
160.64276	0.5
170.37796	0.5
180.05623	0.8
181.06453	0.6
192.95813	1.1
196.05197	2.2
197.06128	0.9
208.05225	1.9
209.06039	2.4
210.06818	1.9
211.03978	0.7
212.08519	0.6
222.06783	2.6
226.06265	2.4
258.05386	1.0
271.11307	0.6
287.10822	0.9
296.08386	1.4
297.09106	0.9
300.08014	0.9
313.09076	0.7
314.09482	2.1
315.10229	5.3
316.10760	0.8
363.17279	0.5
375.13950	0.6
393.15378	0.9
403.13458	6.8
421.14493	100.0
422.14850	7.8
439.15573	8.3
442.49750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1552
Annotation	Candesartan
Peak:m/z	Relative Intensity
50.83541	1.5
59.01235	5.5
61.98688	2.3
71.70644	1.7
78.95739	1.5
93.03300	2.9
96.91602	1.5
96.95842	3.2
107.04919	2.0
108.02013	4.6
109.02866	3.0
121.02811	17.6
136.01517	6.7
137.02327	4.6
162.12228	1.5
192.95769	5.3
195.08041	3.0
210.06798	2.9
211.07629	3.8
217.00308	1.9
225.05482	5.4
226.06276	9.9
240.38130	1.6
258.05298	3.2
293.82181	1.7
304.81775	1.7
315.10406	2.9
364.22592	1.6
411.15842	2.5
415.06747	2.1
421.14551	9.7
439.15527	100.0
440.15921	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	439.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64848	0.7
52.44263	0.8
57.70688	0.8
59.01229	3.9
69.52836	1.0
93.03303	1.8
96.95866	3.1
97.02876	1.5
106.14708	1.0
107.04865	1.1
108.02022	2.3
109.02827	1.7
119.04886	2.1
120.19799	0.9
121.02811	6.2
122.03597	1.2
137.42743	0.9
185.79340	1.2
192.95837	2.7
197.05971	2.1
199.07594	4.0
209.06056	2.1
210.06844	2.0
211.03987	4.5
211.07654	3.5
212.04730	20.2
213.05493	3.8
217.90627	1.1
225.05568	7.5
226.06305	5.4
227.07094	6.7
238.06355	1.3
239.07027	1.8
315.10330	1.8
318.08820	3.4
333.11389	2.8
383.13626	1.2
389.13773	1.2
421.14520	4.2
439.15524	100.0
440.15817	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	439.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	5.6
64.79771	1.8
96.95853	9.8
96.96819	2.2
121.02870	2.1
144.32988	2.0
146.81265	2.0
185.05986	2.2
192.95790	5.7
196.05211	2.2
208.66699	1.9
211.03955	18.2
212.04747	2.7
213.05554	4.9
214.06290	3.9
217.00349	2.2
224.08437	3.3
225.05573	5.0
278.61411	2.1
421.14655	3.5
424.13098	13.5
439.15521	100.0
440.15753	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24329	0.6
59.01235	2.1
60.69369	0.5
65.85342	0.5
66.65903	0.5
71.65029	0.5
76.20441	0.6
76.63796	0.8
91.72926	1.7
96.95841	0.9
97.02821	0.6
107.85982	0.6
121.02811	2.6
122.99109	1.5
157.02930	0.6
183.04454	0.6
184.05165	1.2
185.06017	0.7
192.95789	1.7
197.06041	3.4
199.07594	2.7
209.06036	2.6
210.06874	0.7
211.03918	0.9
212.04721	4.8
213.05318	1.0
214.06381	3.3
225.05536	12.9
226.06323	44.8
227.07069	11.0
258.05380	2.6
396.77795	0.7
411.15625	0.8
421.14603	1.5
439.15530	100.0
440.15866	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	439.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56829	0.3
61.46928	0.3
69.03318	0.3
71.00626	0.3
86.03778	0.3
92.35904	0.7
92.36390	0.6
93.03295	0.5
107.04887	0.7
108.02032	0.8
109.02814	3.9
119.04955	0.4
121.02834	1.7
122.03590	0.7
123.00772	0.5
123.04391	0.3
124.01517	0.6
130.04102	0.4
131.04967	0.3
135.04395	4.2
137.02304	1.2
147.04408	0.8
168.26563	0.4
169.06485	0.7
173.05797	0.4
181.06427	0.5
183.08067	1.4
185.06038	0.8
192.95789	0.5
195.08041	0.5
196.05188	0.9
197.05992	1.0
199.73828	0.3
207.07988	0.5
208.05356	0.4
209.06059	1.0
210.06804	3.5
211.04018	1.0
211.07603	3.7
212.35449	0.4
213.05534	0.5
217.00269	0.5
222.06828	4.4
223.07602	8.7
224.04794	0.8
224.08266	1.4
225.05557	3.6
226.06334	1.3
227.07069	1.3
237.05598	0.7
251.07083	0.6
254.05949	1.9
256.07327	0.9
287.10876	1.0
297.09192	0.6
299.07187	0.4
299.10806	0.7
301.08725	0.7
303.10806	0.4
305.11560	0.4
313.08722	1.8
314.09509	5.2
315.10287	28.0
316.10437	2.0
317.11743	1.1
329.11859	11.4
330.12122	0.8
330.58698	0.4
331.10080	1.8
331.13412	0.6
332.10388	1.2
333.11435	3.5
366.71802	0.4
395.16473	0.4
403.13177	0.6
421.14456	10.1
422.14813	1.4
423.16147	2.6
424.16946	0.5
438.13876	0.5
439.15521	100.0
440.15875	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	439.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01003	8.8
59.01242	100.0
64.06989	7.1
80.33154	9.4
81.67699	9.4
89.70231	8.4
110.12975	8.6
112.80818	11.9
115.69096	8.8
121.02815	14.7
131.58177	9.5
143.39854	9.8
166.73500	11.0
192.95764	13.2
217.00299	14.9
225.05614	15.3
314.73615	12.4
319.67020	11.4
439.15485	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	439.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64444	0.3
63.96101	1.3
81.99703	0.3
91.72720	0.4
145.10445	100.0
146.10764	1.5
164.02911	3.9
165.03687	1.3
196.01968	2.1
219.93040	0.4
266.25348	0.5
277.16385	2.4
278.17062	2.0
287.11420	0.4
295.17310	1.8
309.13422	0.6
310.16089	5.0
327.69913	0.6
439.15356	1.1
439.26901	1.9
439.71973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62733	1.6
54.12027	1.7
59.01254	3.1
59.91736	1.8
61.98698	16.5
62.87509	1.6
79.95611	4.7
90.11737	1.7
93.28908	1.7
94.94933	1.7
96.95872	100.0
100.14205	1.8
102.51651	2.0
116.06340	1.9
116.27666	2.0
138.59790	1.8
188.37477	2.2
250.89456	2.2
294.08130	3.4
308.09808	2.6
334.07721	3.5
336.09180	2.9
364.11707	3.4
370.65668	2.3
380.08163	41.8
384.82700	2.5
424.07199	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	441.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39447	35.0
59.01230	100.0
61.98690	65.0
70.98877	36.2
71.01257	42.0
96.95858	86.4
150.00452	49.8
205.87054	50.0
217.00320	69.2
255.40707	57.9
313.72748	50.8
328.40366	50.6
412.16299	59.0
423.07126	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	1.7
59.01213	0.5
60.04193	0.4
62.09228	0.3
65.20606	0.4
65.73355	0.3
70.02470	0.7
70.02837	9.4
70.03226	0.5
71.01276	0.4
71.04876	14.8
71.05273	0.7
72.00741	0.4
74.90015	0.3
76.51897	0.5
80.82990	0.7
84.57893	0.3
87.05489	6.1
93.03326	0.4
96.95864	1.0
99.04376	5.0
102.06878	0.4
104.04887	0.9
109.79892	0.4
115.04997	1.6
116.07032	2.6
119.04892	78.6
120.04387	1.0
120.05228	1.4
121.75453	0.3
122.05960	0.4
129.05424	1.8
130.03197	9.2
143.04488	0.4
146.08112	82.5
147.05844	5.4
147.08456	1.1
148.03923	1.7
160.04002	0.4
163.03902	3.2
217.11890	18.2
243.13617	0.5
258.49908	0.4
277.12274	100.0
278.12579	2.2
373.10330	3.1
382.08545	0.5
441.16794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1709
Annotation	Perrottetin F
Peak:m/z	Relative Intensity
58.99361	1.9
59.01231	9.7
61.98688	4.1
69.92079	1.7
70.26804	2.0
71.61345	1.8
74.29495	1.8
91.72729	1.9
93.03312	4.3
109.02788	5.4
119.04887	4.7
121.02802	5.1
127.42161	1.9
167.99850	2.1
174.99107	2.5
175.72485	2.0
181.06541	3.6
194.92671	2.5
195.08076	60.3
211.07542	2.6
213.09160	20.7
217.00264	8.1
244.07477	2.2
287.38254	2.3
299.10843	3.2
301.12317	3.3
319.13458	24.1
359.01480	4.0
389.99701	2.3
423.16101	5.5
441.17068	100.0
442.17459	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30439	1.0
57.02187	1.8
57.03316	95.8
58.09892	1.0
59.00061	1.5
59.01242	100.0
60.52568	1.1
61.98708	1.7
62.14302	1.1
71.01238	21.8
73.02803	12.8
78.95768	1.4
81.03333	2.8
83.01231	3.8
85.02807	3.5
87.00739	1.5
89.02296	26.4
91.73341	2.8
96.95851	3.2
99.01810	1.8
99.04375	90.2
101.02303	41.8
102.35268	1.3
106.84519	1.6
112.39648	1.4
113.02287	9.7
113.05967	1.4
119.03360	11.1
121.30824	1.2
123.04401	4.6
125.02324	27.5
131.03381	1.7
135.46249	1.4
143.03407	5.7
149.04434	1.7
152.07251	1.4
161.04445	7.7
174.99126	1.9
179.05554	6.9
217.00313	2.3
287.91553	1.6
297.13525	3.5
312.75284	1.3
337.81848	1.5
339.14380	2.0
359.01559	1.8
441.12747	1.9
441.17978	2.2
467.43735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56754	0.5
56.85302	0.5
59.00986	0.9
59.01235	4.4
61.97355	1.6
61.98693	100.0
61.99905	1.5
65.34774	0.6
96.95884	0.8
110.12190	0.7
210.18472	0.6
217.00258	0.8
221.52652	0.7
235.96410	0.7
250.88286	0.7
251.16682	0.8
281.99161	0.8
295.21338	0.7
308.34735	0.7
400.10068	0.9
442.16446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
57.02150	1.3
57.03316	100.0
57.04585	1.0
59.00014	0.9
59.01242	66.8
69.94740	0.9
71.01239	38.5
73.02808	16.6
76.16488	0.9
78.18211	1.1
81.03302	3.2
81.73759	1.0
81.99415	1.0
83.01230	7.3
85.02798	7.8
87.00739	1.4
88.89081	0.9
89.02296	35.7
91.38180	1.0
95.01239	3.2
99.00723	1.3
99.04375	83.3
101.02299	58.9
103.60944	1.0
113.02310	23.6
113.05944	1.6
119.03400	13.8
119.04884	37.2
123.04379	6.6
125.02318	42.0
125.03251	2.3
129.72948	1.0
131.03362	2.4
137.05928	2.7
141.05484	2.0
143.03355	6.8
149.04443	4.2
161.04474	7.9
179.05542	2.8
205.09399	1.2
241.24562	1.1
281.10321	37.6
299.11371	35.6
323.10217	1.2
341.12411	21.0
381.15564	6.3
443.15540	23.2
444.16077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1615
Annotation	Petromurin C
Peak:m/z	Relative Intensity
56.57389	1.1
56.80133	1.0
59.00047	1.9
59.01244	100.0
59.02553	1.1
61.98700	9.5
62.00673	1.1
68.06484	1.3
69.88693	1.2
89.02278	2.3
91.03860	3.4
96.95803	1.7
106.04116	16.5
106.06478	3.8
108.02044	4.1
111.77151	1.5
116.04932	24.3
120.08048	9.3
125.42939	1.8
127.87746	1.5
130.06575	1.5
138.03134	1.7
142.06529	8.2
146.06001	20.4
146.31108	1.9
158.05989	10.7
178.95763	1.3
186.05553	2.9
209.15364	3.0
212.10823	4.5
223.71776	1.5
226.12346	10.5
233.15421	2.1
238.12350	2.2
251.16539	4.6
256.09845	3.9
264.10303	4.1
270.11395	44.2
271.11676	1.7
273.18707	2.2
287.76639	1.6
291.19720	16.2
309.20773	20.1
333.68213	1.5
355.18283	9.2
399.17178	47.3
425.16559	2.5
443.16196	66.8
444.16614	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.74151	0.4
55.01749	0.6
57.03312	0.9
58.02816	0.6
58.99987	0.6
59.01242	36.4
64.97482	0.4
68.84857	0.4
71.01238	21.5
72.99176	1.1
73.02816	4.3
74.02312	1.4
83.01246	3.6
85.02806	8.8
86.02340	0.6
87.00721	1.4
89.02294	17.7
95.01241	2.0
96.95884	1.1
98.95204	0.4
99.00764	1.4
99.05498	1.3
101.02302	21.1
103.85899	0.6
108.98993	0.5
111.04370	0.9
113.02306	10.3
115.63815	0.6
119.03357	7.4
123.08026	0.6
128.03418	4.1
136.03908	0.9
143.03441	0.9
143.04475	6.2
146.30479	1.2
160.00632	0.9
161.04459	1.7
165.81430	0.5
166.76811	0.5
170.02783	1.3
171.11823	0.5
176.85300	0.5
177.03287	0.8
179.04410	1.1
189.12758	1.4
198.38167	0.5
210.08800	0.8
219.13824	1.1
223.33978	0.6
237.15094	0.5
254.07820	1.6
272.08795	3.3
306.07730	7.3
341.10776	1.6
351.67615	0.5
360.17053	0.6
369.93719	0.7
418.93564	0.6
443.19241	100.0
444.19736	5.7
464.49963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35593	0.4
54.66609	0.3
55.70456	0.3
56.82117	0.4
59.01249	0.4
59.52684	0.4
70.65343	0.4
74.98936	0.6
81.05412	0.5
82.71753	0.4
93.00001	0.6
97.74101	0.8
97.74746	0.9
115.96539	0.4
159.08386	4.5
160.84183	1.0
161.06291	2.0
188.61537	0.5
217.07199	1.5
239.04091	0.5
261.04605	0.5
277.07486	2.5
343.12186	1.4
345.13803	1.1
357.13895	2.7
359.15387	100.0
360.15530	6.3
366.24582	0.5
377.16391	1.8
386.16516	0.7
425.19949	1.4
427.21643	52.6
428.21893	4.2
443.24786	7.3
444.25021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63004	0.7
57.08721	0.8
59.01232	3.0
63.98680	1.0
89.02322	1.9
106.37441	0.9
106.74897	0.8
110.59904	0.8
125.10583	1.0
183.01140	1.1
205.19434	1.5
231.17540	1.2
249.18591	100.0
250.18919	4.0
255.33974	0.9
263.03952	1.1
325.18463	3.5
344.94211	1.0
397.02240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.317
Annotation	CHEBI:68044
Peak:m/z	Relative Intensity
56.00501	1.7
59.01237	4.2
69.03314	56.5
94.02350	2.0
109.06448	25.7
113.02309	45.1
131.03381	2.3
160.84087	3.1
179.53113	2.2
255.23315	7.5
311.27362	2.7
327.26755	4.6
341.28427	15.3
343.30008	15.5
355.30209	6.4
365.28598	6.6
371.29211	3.6
371.33298	3.8
383.29596	40.2
399.32709	100.0
400.33038	4.9
443.31659	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	444.17
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.4
61.98683	3.4
66.56415	1.1
66.90247	1.2
69.42835	1.2
71.01280	1.4
71.04877	4.6
71.87163	1.2
80.04918	4.5
82.02843	5.7
83.01237	5.9
83.04877	6.2
85.02785	2.1
86.02331	3.3
96.04401	5.7
98.02334	30.8
98.05964	6.8
99.00688	1.5
99.07995	2.4
108.04417	15.0
110.68606	1.3
113.02316	3.0
120.01114	4.5
124.03912	15.7
125.28107	1.3
126.05488	9.7
126.40994	1.4
127.00257	3.6
140.01633	3.7
142.03212	2.7
142.05008	5.6
152.03410	23.8
168.02939	15.1
169.06599	1.7
170.04466	18.0
186.02249	1.6
196.02452	100.0
197.02838	1.7
202.01724	21.9
214.03549	22.0
229.12662	3.9
230.01227	10.6
234.05482	2.2
236.29160	1.5
248.02307	28.7
269.04611	14.0
292.73203	1.5
308.82919	1.6
340.56888	1.5
426.15958	3.6
444.16995	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	444.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
61.98690	3.0
71.04892	5.6
80.04907	4.2
82.02835	8.1
83.01239	4.4
83.04877	7.0
85.02774	1.9
86.02326	2.4
87.00741	1.2
96.04397	6.3
96.95846	1.1
98.01700	2.0
98.02337	34.5
98.05997	6.9
99.00732	2.5
99.07999	2.5
108.04411	16.3
113.02345	1.3
120.01110	3.2
124.03902	17.5
126.05477	11.4
127.00237	5.5
129.78421	1.0
140.01645	4.8
142.03206	3.0
142.04994	4.6
152.03415	20.8
168.02943	17.0
170.04520	16.8
175.02441	1.2
196.02446	100.0
197.02759	3.3
202.01746	19.6
214.03528	18.7
229.12668	3.5
230.01268	10.9
248.02330	30.7
269.04532	10.5
270.54587	1.3
308.09372	1.5
355.20850	1.3
360.58862	1.4
426.15927	3.5
444.17035	8.8
469.54013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Baicalin
Peak:m/z	Relative Intensity
55.45536	0.1
57.03316	0.8
58.00439	0.1
59.00101	0.1
59.01242	5.2
59.95721	0.1
63.02257	2.2
65.00186	1.0
68.10840	0.1
68.99683	0.2
70.03561	0.1
71.01241	2.3
71.04574	0.1
72.99172	0.5
73.02808	0.3
75.00716	0.1
81.48038	0.1
83.01247	0.6
84.02050	0.1
85.00832	0.1
85.02805	7.7
85.04987	0.1
87.00732	1.7
89.00150	0.1
89.02328	0.1
91.72660	0.2
93.03294	0.5
95.01244	1.0
99.00729	0.8
101.72228	0.1
103.00235	1.1
103.77756	0.1
104.56101	0.1
105.03339	0.2
107.01250	1.9
111.00729	0.1
113.02306	9.3
114.02690	0.1
115.00243	0.7
117.03326	4.7
119.04875	0.1
119.69099	0.1
121.02840	0.2
129.00972	0.1
129.01781	0.4
131.04932	0.1
133.02802	0.1
135.04362	0.4
141.03407	0.1
147.00719	0.1
149.02332	1.2
151.00250	1.1
155.04950	0.3
157.01347	0.1
157.06476	0.2
157.15311	0.1
158.03601	0.1
159.04422	2.1
161.02356	1.3
169.06526	0.6
171.04404	0.2
173.05966	0.1
175.02391	5.4
180.05756	0.2
181.06546	0.6
182.03651	0.1
183.04414	0.9
195.04442	0.2
196.05257	0.4
197.06053	0.8
199.03880	0.3
201.05487	0.8
203.03412	0.1
210.03235	0.1
213.05652	0.1
224.04810	0.3
225.05533	1.6
225.07603	0.1
227.03474	0.6
241.05035	0.2
253.05055	0.1
268.03854	0.2
269.04565	100.0
270.01978	0.2
270.04916	3.2
283.06094	0.1
311.05627	0.5
328.56284	0.1
341.06366	0.1
445.07764	1.8
446.08319	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	445.0779
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.95830	0.2
52.10852	0.2
57.03313	1.8
59.01242	7.6
61.98676	0.6
62.50917	0.3
63.02259	1.5
65.00176	1.1
68.99674	0.5
71.01242	5.7
72.39591	0.3
72.99161	1.0
73.02801	0.7
75.00732	3.0
83.01231	0.9
85.02808	12.9
86.53611	0.4
87.00737	2.4
88.39461	0.3
89.02289	1.3
95.01252	3.0
95.19489	0.3
96.95876	2.1
99.00737	4.7
103.00241	2.0
106.03847	0.3
107.01266	2.4
113.02310	24.3
113.05677	0.4
113.49338	0.3
114.91956	0.3
115.00225	1.2
116.07035	0.7
117.01858	2.2
117.03323	10.4
117.34541	0.3
119.99968	0.3
121.02800	0.4
126.71616	0.3
128.03392	0.5
129.01794	1.2
131.46187	0.3
149.02332	4.9
151.00250	5.2
157.01219	0.6
159.04396	1.9
161.02345	0.4
175.02391	5.6
180.05644	0.3
181.06551	0.8
183.04427	1.1
197.05988	0.7
201.05498	1.2
218.40363	0.3
225.05519	2.6
227.03436	1.4
241.04922	0.4
269.04575	100.0
269.17114	0.7
270.04910	3.1
332.46707	0.3
334.53906	0.3
373.05936	0.4
409.03351	0.6
443.54065	0.4
445.07663	1.2
445.24124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09502	0.4
57.03317	51.4
57.04467	0.9
59.01241	11.7
59.66586	0.4
61.58746	0.5
63.83271	0.4
71.01238	8.5
73.02810	1.7
81.03333	0.7
83.01239	1.8
85.02809	4.9
89.02312	0.8
91.73381	0.7
94.50262	0.5
95.01276	1.4
96.16136	0.5
96.24696	0.5
96.95885	1.2
99.04375	46.9
99.07005	0.7
101.02305	16.2
107.08331	0.5
111.00756	0.9
113.02293	4.7
121.02840	1.3
123.00747	21.2
123.04379	1.3
124.01533	100.0
125.02327	23.7
126.02669	0.5
128.03401	0.6
137.02370	0.8
138.03113	12.8
138.04179	0.9
139.03889	89.9
140.04250	1.2
143.03384	2.3
149.02313	0.8
150.03072	0.9
159.02869	0.7
161.04436	10.7
163.61119	0.7
165.05489	2.0
166.02762	0.6
179.03166	1.2
181.04988	2.4
203.05592	2.2
223.06059	1.2
225.07674	0.5
232.93823	0.6
242.34142	0.5
243.08736	1.5
283.08221	12.0
285.93384	0.6
301.09286	8.8
343.10327	5.2
383.13599	0.7
445.13394	2.8
445.18878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67995	0.6
59.01244	2.3
61.98699	0.5
62.19009	0.4
71.01238	0.8
91.00215	0.5
93.00877	0.9
93.03316	73.1
93.05514	1.1
94.03646	1.0
96.95888	2.3
115.05492	0.6
120.32684	0.5
128.03387	0.6
129.05438	1.1
132.32204	0.5
137.02322	100.0
138.02657	1.2
138.05484	1.4
179.03387	0.8
192.85262	0.5
197.06718	0.5
221.56741	0.8
281.06601	1.8
299.07751	1.6
303.06790	0.6
336.85181	0.6
338.24088	0.6
360.00992	0.6
408.08392	0.6
445.13541	24.0
446.13852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
51.28883	0.7
56.67994	1.7
57.11026	1.0
59.01238	5.9
59.98462	1.0
61.98704	1.3
71.01231	3.7
73.02788	2.0
85.02796	2.6
89.02290	1.1
91.21777	0.9
93.03313	69.1
96.95892	1.8
101.02279	2.2
101.73148	1.0
104.96870	1.0
113.02310	3.8
128.03381	1.8
136.98033	1.4
137.02318	100.0
138.02621	1.3
161.04424	1.9
183.85008	1.1
185.82378	1.1
269.04501	1.4
281.06616	1.3
299.07767	1.4
364.64346	1.3
406.68881	1.1
445.13522	84.4
446.13535	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	445.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87966	0.1
58.99954	1.5
59.01242	100.0
59.02365	1.9
60.01574	0.5
61.98701	0.3
67.08553	0.1
76.25198	0.1
76.95412	0.1
82.18830	0.1
91.72788	0.1
106.92809	0.1
115.60020	0.1
131.87056	0.1
145.22301	0.1
210.49377	0.1
237.24072	0.1
245.92917	0.1
261.67197	0.1
269.04651	0.5
421.43335	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	445.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19356	0.5
55.77790	0.5
56.52117	0.6
56.91407	0.5
58.02842	4.9
59.01238	3.5
59.29772	0.6
61.98695	8.1
73.72787	0.5
82.02844	4.7
85.02833	1.1
91.05413	1.8
96.95879	1.5
99.00730	0.6
106.04108	19.9
106.06487	17.6
106.07181	1.3
108.02045	2.5
109.44787	0.6
110.02310	0.7
113.02299	1.0
128.75204	0.7
132.08093	0.8
138.03101	1.1
146.05991	1.6
146.09660	1.5
146.82903	0.8
157.52356	0.6
158.06007	0.8
172.07588	1.2
173.10754	7.5
174.09154	15.9
191.11798	0.7
203.34433	0.7
212.10754	16.1
217.09686	1.5
218.08202	1.2
224.10866	0.7
238.12387	1.6
248.52399	0.8
252.13861	1.7
269.04608	8.0
270.11472	1.0
278.11972	1.9
279.15036	9.3
280.13422	23.0
281.13794	1.0
297.16077	7.4
323.14020	19.2
335.72702	0.7
359.60870	0.7
401.22293	3.1
427.20316	17.7
428.20316	0.8
445.21347	100.0
446.21689	8.0
453.03888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2212
Annotation	Ligularinone A
Peak:m/z	Relative Intensity
52.19422	4.0
57.03322	6.6
59.01245	100.0
71.01231	18.5
75.00765	4.4
77.75806	4.0
85.02800	7.4
86.92965	4.4
89.02313	18.2
91.73308	6.2
96.95898	9.6
99.04385	15.1
101.02301	9.7
113.02309	14.3
114.28412	4.7
132.88747	4.3
204.56235	6.2
205.12279	8.9
226.91972	5.4
269.04611	10.6
285.03952	8.9
317.16556	6.3
317.19666	31.1
335.20761	90.9
445.22052	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2212
Annotation	Ligularinone A
Peak:m/z	Relative Intensity
59.01236	6.8
65.76299	2.2
73.52735	2.4
75.23937	2.1
75.66376	2.1
86.29105	2.1
90.04821	2.3
96.95875	7.0
128.03418	4.1
137.02299	4.1
139.03900	14.1
165.18977	2.6
207.27855	2.9
245.08151	34.9
269.04562	17.8
317.19675	32.0
335.20758	100.0
336.20804	4.9
386.22354	3.2
407.13220	17.2
409.14224	2.9
409.24573	4.0
445.22125	90.5
446.22549	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2962
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
57.67316	2.7
59.01224	7.9
61.79499	3.0
64.81379	2.8
69.03310	5.7
75.50379	2.8
85.02711	2.9
88.91487	3.0
91.76389	2.7
93.03333	2.6
96.95841	4.0
109.06451	68.2
113.02358	5.1
147.38113	3.3
157.84236	3.1
256.61566	3.6
269.04568	14.5
289.25421	5.9
291.02661	4.0
295.61740	3.5
325.18210	3.4
329.28491	33.6
357.31558	13.7
383.29593	12.4
401.30603	59.3
445.29614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.6
59.89275	0.1
62.96264	1.3
63.79803	0.2
65.12468	0.1
67.39778	0.1
77.13635	0.1
78.93835	0.6
78.95758	40.5
78.97407	0.5
91.24343	0.1
96.96813	2.6
115.66821	0.1
115.81802	0.1
127.98011	0.1
148.99977	21.0
158.92426	1.8
170.31183	0.1
179.01051	2.8
201.02551	0.2
205.15929	2.0
240.96677	0.3
267.11624	0.4
347.08191	0.4
360.52908	0.2
417.12503	0.9
431.10373	2.8
447.13446	100.0
448.13785	3.3
464.10110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1579
Annotation	Armillaridin
Peak:m/z	Relative Intensity
59.01245	1.5
91.73418	0.6
92.02530	0.6
95.01357	0.3
95.84892	0.4
97.03777	0.4
97.04305	0.5
98.03676	0.3
101.75888	0.5
106.04077	3.4
107.04893	0.5
108.02069	0.6
121.02825	10.2
130.17784	0.3
182.07339	2.8
183.08049	0.9
195.08063	0.6
196.08867	3.5
197.09630	0.6
203.05289	0.3
210.06815	3.2
211.07602	7.1
235.07390	9.2
238.06274	0.8
250.06035	0.8
261.08939	0.5
265.04935	0.9
275.64291	0.4
289.12344	4.5
311.10559	14.9
312.11243	3.6
317.11853	1.8
326.09277	0.5
339.10071	5.5
340.10806	20.2
341.11151	1.6
372.09799	18.3
373.10193	1.0
397.98611	0.4
447.15814	100.0
448.10172	0.6
448.16129	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	447.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	6.6
69.03306	3.0
71.01225	2.8
71.04910	1.3
72.02026	1.8
78.95749	2.9
80.91534	2.3
87.04366	9.6
91.63470	1.4
92.47229	1.5
95.04875	13.8
97.06453	2.9
111.08009	3.0
113.09606	2.4
121.78033	1.6
125.14703	1.4
139.07538	1.7
149.13251	2.6
152.99437	3.2
179.14304	2.8
205.16063	2.2
223.17012	9.1
242.59131	1.5
250.15799	2.1
251.16502	14.6
252.17351	4.6
260.10373	3.7
277.21762	5.1
284.16241	13.9
293.21240	2.7
293.24722	2.7
303.23318	7.7
306.13736	6.3
318.13507	3.3
321.24362	100.0
322.24698	2.8
340.05841	1.7
343.21338	3.7
350.13464	21.5
365.23337	24.9
387.20627	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28443	0.4
54.03295	0.5
54.20926	0.5
58.99987	1.8
59.01243	100.0
59.02332	1.8
60.01569	0.8
71.01242	1.0
78.21791	0.5
95.68653	0.5
106.73716	0.5
114.05457	0.7
115.03891	2.0
116.07092	0.6
121.69588	0.6
160.67546	0.6
167.65378	0.6
231.49940	0.7
241.58791	0.6
447.31277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96436	0.5
52.50667	0.6
59.01242	100.0
59.02480	1.6
60.01577	0.8
71.01258	0.8
78.23827	0.6
85.69676	0.7
103.33176	0.6
114.05470	1.7
115.03879	5.5
116.07052	1.1
176.24821	0.8
285.24649	0.8
337.22110	0.8
447.31335	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	448.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79144	1.3
58.84993	1.4
58.97458	1.7
59.01236	3.9
71.01182	1.7
75.00722	4.4
92.04438	1.5
92.65827	2.0
93.03326	2.1
102.81538	1.9
106.06486	3.9
117.01772	2.7
122.66645	1.5
132.04463	2.8
134.06013	3.3
135.01842	1.5
144.04414	4.6
145.05223	4.0
146.05998	69.1
158.06009	4.5
160.07547	1.9
161.00775	2.1
173.04694	3.1
174.05501	31.6
186.05536	2.1
200.07082	3.7
202.04999	18.1
220.07675	2.2
222.09042	2.0
252.10193	3.1
268.09796	6.8
280.09824	2.3
283.63846	1.8
296.09265	8.4
306.11359	2.2
308.09280	100.0
309.09586	3.6
310.10806	3.1
338.10333	7.1
350.10400	5.2
352.08411	2.2
368.11426	6.4
372.45123	1.8
382.09247	4.6
412.10364	15.6
461.21191	1.9
470.38068	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	448.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02122	1.6
57.03317	100.0
57.04398	1.2
58.00466	1.3
58.03680	0.6
58.99988	1.3
59.01243	87.8
59.02372	1.5
61.98694	2.6
69.03319	2.0
71.01239	32.6
72.99171	1.0
73.02807	35.8
79.05389	2.5
81.03304	4.1
81.33347	0.7
83.01237	11.6
83.04888	0.8
85.02805	6.3
87.00719	1.4
89.02296	23.9
95.01301	1.1
95.04872	1.4
96.95860	0.7
97.02808	1.5
97.06444	2.2
99.04377	95.6
100.04702	1.2
100.99478	1.0
101.02304	61.1
108.01994	0.8
109.06441	1.2
113.02307	21.3
113.05941	6.2
117.34409	0.7
119.03355	9.2
120.84045	0.7
123.04388	22.8
124.04766	1.0
125.02316	44.2
128.03378	1.3
131.03380	3.1
133.84244	0.7
141.05464	4.6
143.03378	7.1
149.04454	5.6
153.05455	3.8
153.61514	0.7
155.03360	1.3
161.04453	11.0
164.35077	0.7
170.92732	0.7
179.05582	4.7
183.06621	0.9
189.07524	0.8
201.07584	1.1
203.05484	1.5
221.06619	2.3
261.09784	0.8
286.29031	0.8
448.13104	4.0
469.72174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81269	0.4
54.55312	0.4
57.03317	0.9
57.29125	0.4
59.01230	1.5
78.95753	1.5
79.95581	1.8
89.02317	0.8
96.95869	100.0
96.98294	1.4
98.95454	0.7
102.40685	0.6
115.91924	1.2
124.18429	0.6
128.03397	0.6
136.07552	1.9
139.82076	0.5
140.03435	0.7
170.04482	3.2
247.10887	0.9
259.10779	0.6
271.13644	0.6
303.48413	0.6
351.11963	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	449.1456
Annotation	SCHEMBL4743857
Peak:m/z	Relative Intensity
50.72160	1.7
50.85812	2.1
58.85118	2.0
59.01246	5.4
61.98684	16.7
71.01237	3.6
71.73099	2.1
73.03944	3.1
83.42326	1.9
89.02299	2.1
96.95883	5.8
106.04077	4.3
108.02058	2.2
116.15131	2.1
121.02821	54.0
122.03634	8.2
126.05471	6.0
126.06609	3.0
129.06516	2.5
144.07671	18.6
146.06046	3.7
152.07097	5.2
168.07690	8.3
174.05571	2.3
181.14108	2.5
186.08771	41.1
199.37463	2.4
211.14519	4.8
224.17654	2.4
227.07158	8.7
228.07936	23.8
229.08664	4.6
243.10258	51.1
287.09247	7.1
309.09720	4.7
362.13965	3.1
368.70871	3.1
381.21732	4.9
387.15933	4.3
393.30472	2.8
413.24081	43.2
449.14624	100.0
449.20209	3.5
450.14874	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01229	0.9
69.16019	0.2
79.95583	1.8
84.90165	0.2
94.23479	0.2
96.93268	1.3
96.95869	100.0
97.95797	0.3
113.92500	0.4
114.08009	0.2
115.21288	0.2
128.03415	0.4
149.09689	0.5
149.50555	0.2
150.52039	0.3
203.51151	0.3
221.15378	0.2
267.05627	0.4
269.07257	0.4
269.18265	0.3
299.08221	0.4
351.20258	9.2
352.20779	0.4
389.15311	1.3
449.17487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	100.0
61.98692	31.8
65.89114	18.7
88.95066	21.9
102.41892	24.9
121.02836	28.2
214.06413	31.1
226.00485	23.9
271.13293	32.6
286.41464	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	81.7
59.01243	100.0
61.98667	2.7
71.01242	20.5
73.02799	11.4
82.37143	2.1
83.01232	4.7
85.02367	2.2
85.02792	15.6
91.48186	2.3
92.52729	2.0
95.01248	2.9
99.00726	3.0
99.04379	97.1
101.02299	43.6
113.02283	13.0
125.02311	35.0
135.04395	5.0
143.03409	3.3
151.00261	4.5
159.02872	2.8
161.04449	16.4
226.24188	2.8
270.77747	2.5
275.49557	2.8
287.05569	4.7
305.16095	31.9
336.60156	3.3
347.17151	8.5
408.07547	2.6
449.20343	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03319	11.9
58.00452	0.8
58.70092	0.6
59.00047	1.3
59.01242	73.6
59.02547	1.1
63.43176	0.6
71.01238	15.7
72.92725	0.6
72.99170	0.6
73.02790	0.9
81.03297	0.7
83.01241	1.7
85.02795	4.6
85.51444	1.2
85.51885	0.7
89.02296	14.2
95.01248	1.1
97.06404	0.8
99.04378	20.8
101.02299	12.5
103.36457	0.6
109.06449	0.8
113.02303	5.7
119.03373	4.7
125.02296	4.1
128.03391	2.1
143.03371	0.8
145.18188	0.9
161.04417	1.1
165.12761	4.0
179.05559	1.1
189.12767	1.1
207.13824	8.5
208.48067	0.7
208.70464	1.5
209.11771	27.2
210.97578	0.6
225.14961	6.4
233.11862	1.0
251.12852	6.3
269.13956	100.0
270.14273	2.8
305.15939	3.4
431.18900	0.8
449.20306	63.4
450.20731	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19371	2.6
54.71695	2.6
57.03319	85.6
57.04460	2.8
59.01243	100.0
60.01601	2.9
71.01241	18.4
73.02811	5.8
74.44733	2.9
80.05944	3.0
83.01231	3.8
85.02806	13.1
89.02320	8.1
91.72685	6.2
96.95914	4.5
99.00729	3.2
99.04383	77.2
101.02312	37.7
107.34658	3.0
110.13383	3.0
113.02339	6.8
125.02310	29.4
128.03391	3.7
146.50520	3.1
161.04480	10.4
163.79961	3.3
178.85544	3.5
231.44106	3.2
305.16058	32.1
347.17023	8.7
383.29144	4.0
449.20038	15.7
466.89072	4.0
469.32108	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71272	1.7
57.03316	90.5
59.01242	82.0
61.98682	2.9
62.86395	2.0
64.89956	2.1
66.27872	1.9
71.01228	16.2
73.02790	9.8
79.65007	1.9
83.01241	4.3
84.26933	2.0
85.02813	13.1
96.65337	1.9
99.00739	3.0
99.03730	5.1
99.04375	100.0
101.02299	44.3
101.12327	2.0
113.02283	7.7
125.02315	24.9
143.03429	3.1
161.04477	11.4
188.66003	3.0
305.19681	43.4
347.20731	6.5
449.23718	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	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53713	1.0
54.64696	1.0
55.01746	1.7
56.74774	1.0
57.03311	4.0
59.01239	7.5
67.05287	1.1
67.45964	1.0
83.01238	41.8
83.04862	1.3
85.32453	1.1
87.11069	1.1
99.92477	1.5
101.02335	2.5
115.92002	3.2
157.04956	19.2
175.06096	3.4
199.78111	1.2
214.59343	1.3
255.23296	100.0
256.23633	3.2
281.29828	1.4
370.61923	1.5
413.29083	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	451.155
Annotation	1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthrene
Peak:m/z	Relative Intensity
59.01233	5.1
61.98680	6.2
69.56163	2.4
71.01231	3.0
74.96085	2.3
86.05428	2.7
114.53123	2.9
117.00286	16.1
121.02774	5.7
126.10728	3.1
129.50516	3.1
168.36244	2.5
224.04843	3.4
264.61038	3.3
287.22144	5.9
309.20724	5.8
329.08182	4.8
351.13708	4.4
354.05466	3.5
369.15991	3.9
391.13428	4.2
391.19562	12.1
407.12988	5.1
415.24649	6.1
435.12289	11.9
436.13159	71.0
451.15506	100.0
452.15933	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	451.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.02098	1.4
57.03317	94.9
57.04370	1.6
58.03653	0.7
58.99957	1.7
59.01242	99.7
59.02360	1.5
61.40986	0.5
67.64459	0.4
71.01241	16.2
72.99188	0.4
73.02808	8.2
75.00742	0.9
75.61052	0.5
81.03314	2.1
83.01241	5.6
85.02809	11.2
85.99926	0.8
87.00744	1.1
89.02296	1.8
91.72692	0.9
92.52583	0.5
95.01240	1.2
99.00744	2.7
99.04376	100.0
99.06860	1.0
100.04717	1.4
101.02303	46.3
103.61009	0.7
111.00733	0.7
113.02313	9.2
125.02311	30.6
143.03419	4.2
159.02849	1.5
161.04434	7.1
230.32921	0.5
251.62849	0.6
269.04663	0.8
289.16592	0.9
291.17612	0.5
307.02188	0.6
307.17636	30.4
308.17838	1.1
323.75186	0.7
344.92551	0.6
349.18777	7.7
368.02716	0.6
389.21680	1.2
445.07489	0.7
451.16092	0.7
451.21896	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	451.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55851	0.6
52.15387	0.7
52.62337	0.7
54.49120	0.7
54.63848	0.7
57.30607	0.7
59.00062	1.8
59.01241	100.0
59.02539	1.2
60.79164	0.7
62.33223	0.8
71.59251	0.9
78.95787	0.9
80.07726	0.8
81.03309	0.8
87.00730	4.5
87.46084	0.8
91.03861	3.1
96.65227	0.8
97.06461	0.9
174.62378	1.0
176.74586	0.9
178.28027	0.9
201.12790	2.6
213.85066	0.9
219.13884	2.6
225.92528	0.9
255.21124	1.5
265.92224	1.1
281.19241	3.1
299.20151	7.0
317.21140	10.0
404.29010	1.2
435.32343	1.3
437.90714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59078	0.2
54.22405	0.2
58.02818	0.3
61.07651	0.2
78.64052	0.2
81.03315	7.4
82.06437	0.3
83.04879	22.4
88.86395	0.2
89.09496	0.3
90.38349	0.2
91.73302	0.2
100.07475	0.3
107.06014	0.8
108.04421	0.8
125.07079	2.9
126.05453	0.4
127.67981	0.2
143.08163	1.4
179.83327	0.2
189.53992	0.3
207.14951	3.2
215.36832	0.2
224.17676	4.0
225.16046	10.4
242.18683	1.5
254.68094	0.4
309.21713	0.4
324.26544	1.8
333.22989	3.9
351.24091	1.2
367.27106	0.9
385.28128	0.3
433.31879	5.8
451.32922	100.0
452.33237	4.8
478.34360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40781	0.7
56.60328	0.8
57.03302	1.0
59.01228	1.3
59.87143	0.7
61.97349	1.7
61.98692	100.0
61.99900	1.7
62.72652	0.7
68.35541	0.7
71.01248	0.8
75.39594	0.8
78.95757	1.0
80.04926	0.8
98.52486	0.7
101.02313	0.9
104.04921	5.7
108.04409	8.2
110.05910	0.9
113.02322	0.8
120.04418	47.6
131.37595	0.7
132.04425	50.0
133.04758	1.4
138.05493	6.8
148.03928	7.0
150.05505	14.7
159.00008	0.8
160.03908	1.5
165.35716	0.9
168.06563	35.2
171.67830	1.5
176.03444	16.0
188.03462	2.1
208.06113	9.7
237.10335	1.2
255.11430	1.2
265.09808	2.8
283.10953	1.9
289.11932	3.5
295.10931	1.8
307.13855	1.4
308.14465	1.3
309.08871	1.4
313.11972	18.4
314.12289	1.0
327.09961	3.6
329.11383	1.3
341.11295	2.3
357.10941	60.2
358.11237	2.9
389.13574	95.9
390.13834	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	452.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44908	1.1
52.80513	1.1
61.97378	1.8
61.98693	100.0
65.73479	1.4
66.15705	1.1
80.96383	1.4
84.20872	1.3
91.78890	1.1
93.24833	1.3
96.95888	3.4
97.36000	1.5
104.04926	3.9
108.04422	4.5
120.04419	42.8
132.04431	44.4
138.05482	5.1
138.97752	1.2
145.82289	1.4
148.03931	4.7
150.05464	10.8
159.81299	1.3
168.06578	25.3
176.03445	13.4
190.05080	2.3
208.06036	5.2
237.10295	1.7
265.09839	3.7
283.10910	1.8
289.11917	4.1
295.10895	2.4
313.11981	18.0
327.09695	2.9
329.11490	1.8
357.10959	72.2
358.11133	2.6
371.12625	3.0
378.20441	1.6
389.13577	61.8
390.13989	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	452.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	0.1
52.56544	0.3
59.78908	0.2
61.97347	0.2
63.36220	0.2
64.01791	0.2
65.03821	0.3
65.99365	0.2
65.99708	4.0
68.01279	0.2
73.04916	0.2
79.05400	0.2
87.44817	0.2
91.72804	0.4
92.02550	0.2
93.03310	3.2
94.02831	0.2
97.99207	0.2
105.02059	1.4
106.02849	0.5
106.04113	0.7
107.04890	7.6
108.02039	0.2
110.02347	0.7
115.05385	0.3
117.03343	0.3
118.02854	1.3
119.04897	0.6
120.00861	0.3
121.02820	23.2
121.06656	0.3
122.02368	1.5
122.03684	0.9
123.03110	0.3
131.04874	0.3
133.01590	2.0
134.02353	0.7
140.04907	0.5
142.06502	3.2
143.04903	2.0
146.02356	0.9
146.03606	0.8
147.03172	0.5
147.04330	0.3
150.01883	0.5
151.02710	0.9
156.04483	0.2
156.08083	0.2
157.05222	0.8
157.06516	0.5
158.03645	0.7
159.04424	0.3
162.01802	1.1
163.02754	0.2
166.06438	0.2
168.04419	0.5
168.08083	0.5
169.06497	1.2
170.05997	1.5
171.04427	0.7
171.08133	0.2
172.07587	0.6
180.08087	0.3
181.05211	0.4
182.05978	1.2
183.03160	0.2
183.06795	0.3
184.03893	0.2
184.05278	1.0
184.07582	0.5
185.06042	0.5
188.04753	0.3
194.06047	1.4
195.04498	0.3
195.06862	0.7
196.03964	0.6
196.07599	2.1
197.04491	0.3
197.06177	1.4
198.05373	0.9
199.06186	0.2
200.07132	0.2
209.04759	0.7
210.05486	3.8
211.03938	0.3
211.06015	1.4
212.04913	0.3
212.06917	2.3
213.05548	0.5
213.09180	1.1
222.05502	1.0
223.04237	0.3
223.06166	1.1
224.07123	4.5
225.05557	0.3
226.05104	0.7
227.05685	0.7
227.07289	0.6
228.07947	1.4
229.08694	0.8
238.05052	6.5
239.05835	9.6
240.06590	2.9
241.07239	0.2
254.04594	0.7
255.05328	1.6
263.06921	0.2
288.10318	0.2
289.08661	0.2
290.08151	0.4
306.49103	0.2
311.32059	0.2
315.09204	0.2
316.09787	0.3
318.08719	0.2
327.09088	0.6
333.10107	0.3
343.12973	0.2
344.09479	1.4
345.10349	0.6
346.10867	0.2
355.13568	0.2
367.13303	0.2
371.12735	0.5
375.07672	0.2
377.08984	0.4
381.15179	0.5
382.14417	0.3
383.12985	0.4
390.87994	0.2
396.16113	0.3
397.03745	0.2
397.14441	1.1
406.14600	0.6
407.13153	0.2
408.15866	0.3
409.14432	0.3
410.13962	1.2
424.15594	2.3
425.14008	2.6
434.13974	0.9
435.12659	0.3
436.12714	0.2
444.23880	0.2
452.15070	100.0
453.15390	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	452.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07008	0.6
61.98693	0.9
65.99708	4.1
93.03331	2.7
105.02100	0.8
106.04160	0.8
107.04893	7.5
118.02836	1.0
121.02821	21.2
121.25861	0.9
122.02382	1.4
122.03636	1.6
133.01573	1.7
142.06537	1.6
143.04935	2.2
151.02652	1.0
168.04401	0.9
169.06474	1.1
170.05977	1.9
184.05272	1.2
184.07666	1.0
194.05972	1.7
196.03975	0.9
196.07732	1.7
197.06007	1.3
210.05557	2.9
211.06190	1.1
212.07018	1.8
213.09181	1.0
222.05437	0.9
223.06369	1.0
224.07190	3.2
228.07901	1.1
238.05016	6.0
239.05843	9.4
240.06641	2.5
255.05371	1.9
323.91229	0.9
344.09567	1.7
397.14282	1.0
410.13852	1.9
414.13126	1.3
424.15848	1.3
425.14084	3.1
452.15091	100.0
453.15408	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	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.47129	0.1
54.47219	0.1
54.58713	0.1
61.81852	0.1
62.96269	0.3
63.67239	0.1
78.93888	0.3
78.95759	18.4
79.51682	0.1
83.22425	0.1
96.96821	0.1
97.11099	0.1
103.76954	0.1
104.97329	0.2
122.00016	0.8
122.98383	0.2
123.78751	0.1
134.98386	0.2
140.01067	5.2
145.96239	0.1
152.99478	1.3
166.02634	0.2
196.03740	9.4
204.92195	0.1
214.04790	2.1
237.22258	0.3
255.12311	0.8
255.23288	100.0
256.23615	3.1
369.26151	0.1
375.53757	0.2
416.25345	0.2
452.27856	23.5
453.17130	0.7
453.28036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73166	0.2
59.01239	0.7
59.03027	0.2
60.23652	0.2
61.98688	0.3
62.96262	0.3
63.06854	0.2
67.35698	0.2
69.57437	0.2
71.01242	0.6
74.81879	0.2
78.93951	1.4
78.95758	92.6
89.02309	0.9
96.96817	1.1
97.41434	0.3
98.40902	0.2
101.02309	0.3
110.89780	1.2
110.95354	1.2
110.98387	100.0
111.01905	0.6
119.03410	0.4
131.92847	0.3
137.28804	0.3
153.01855	0.2
179.05476	0.6
214.27182	0.2
235.30942	0.3
241.01193	0.4
288.11679	0.2
298.04932	0.3
307.07828	0.3
323.02808	0.7
341.10867	1.3
358.02698	0.3
378.42474	0.3
412.59122	0.3
453.10004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76569	0.8
58.02832	4.9
59.01231	2.5
62.29982	1.0
74.02336	11.8
78.95725	1.5
79.05379	6.6
81.03327	7.9
83.04882	15.1
84.84528	1.4
86.02331	8.9
86.05969	2.4
87.05491	3.4
93.03271	2.3
96.95880	13.1
97.03934	2.1
97.61752	0.9
99.05500	16.7
101.77258	0.9
102.05498	1.4
107.04888	64.6
109.02817	2.6
109.03952	2.1
112.03890	1.8
118.02847	3.6
119.91634	1.1
120.01076	1.0
121.02003	2.0
121.02823	24.3
122.03606	36.4
123.05489	1.5
124.03880	1.5
125.05955	50.6
128.03406	45.9
134.99702	1.2
135.05522	3.1
136.07578	3.0
137.02318	4.7
140.15515	1.0
141.06572	2.2
143.04507	61.2
145.06067	2.5
146.02365	17.2
146.04404	6.1
147.03168	1.3
150.03105	4.6
151.03903	15.8
152.03389	1.9
153.06633	1.4
154.02621	4.4
166.09746	2.0
167.04404	1.6
169.04971	33.8
179.04515	10.4
180.01161	27.8
182.02164	2.9
185.05562	1.4
204.99892	1.0
210.08803	11.1
210.99309	1.1
229.08664	75.6
230.09077	1.5
247.09805	3.5
254.07817	20.6
255.06514	2.2
271.10773	3.0
272.08917	78.7
273.07690	66.3
274.07968	1.4
289.11908	2.0
306.07538	1.4
334.06882	1.4
358.14282	2.6
416.69373	1.4
435.12982	100.0
436.13187	2.7
453.10855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08241	1.6
59.01251	3.0
63.90333	1.5
67.62772	1.6
75.54032	1.4
85.80297	1.8
104.65858	1.7
109.02844	2.0
119.08252	1.6
121.02795	7.9
136.01543	9.1
137.02306	2.9
138.03163	2.0
153.08347	1.8
182.04822	1.8
195.04453	3.7
196.22235	1.9
197.05962	4.9
208.05247	2.6
211.07707	2.5
212.04655	2.4
224.04810	8.9
225.05473	16.9
226.06337	7.4
227.07103	5.8
240.04111	3.6
241.05165	2.0
242.05666	2.8
265.97379	2.1
347.09338	3.0
385.85236	2.0
425.14203	3.8
453.13394	100.0
453.35855	2.2
454.13672	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	453.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39587	0.5
52.78040	0.5
54.16530	0.6
54.46231	0.6
57.21447	0.6
77.02722	0.7
78.09765	0.7
93.03304	1.0
95.01254	0.9
96.95860	0.9
101.93594	0.8
107.04861	1.0
108.02043	1.1
109.02808	2.1
121.02835	1.2
122.03573	2.1
123.00731	4.4
123.04402	1.0
124.01550	3.8
135.00746	0.9
151.00189	0.8
169.06474	1.5
183.04384	2.0
185.05974	1.2
196.05167	0.9
197.06076	1.3
209.06110	1.3
210.06656	0.8
211.04008	2.1
211.07585	1.2
214.06250	1.9
215.47879	0.8
225.05615	1.1
240.04358	2.2
258.05472	0.9
425.14008	2.0
439.55139	0.8
442.72964	0.9
453.13443	100.0
454.13718	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	453.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99952	0.8
54.90915	0.8
57.03313	0.8
57.78444	0.9
58.02847	6.1
59.01228	1.3
70.02802	0.9
71.01226	1.2
74.02327	14.0
75.00708	1.0
78.95762	1.0
79.05395	7.1
80.03713	1.0
81.03310	9.0
82.02829	1.0
83.04881	19.6
84.40916	1.0
85.02776	1.2
86.02328	6.3
86.05997	1.6
87.05489	3.0
93.03333	1.2
96.95876	12.8
97.03943	1.5
97.06508	1.2
99.05490	13.6
101.07051	1.8
102.05438	1.7
107.04885	66.2
108.05224	1.4
109.02834	2.4
109.03964	1.4
111.05434	1.1
112.03949	1.0
118.02847	3.6
120.01124	1.6
121.02826	22.5
121.03703	1.4
122.03602	44.9
123.05518	1.3
124.01536	2.3
125.05949	49.1
126.06262	1.1
128.03406	45.7
135.04509	1.3
135.05492	2.7
136.07596	3.8
137.02315	4.2
141.06522	1.2
143.04504	63.7
145.06085	1.9
146.02376	17.4
146.04388	5.2
147.00751	1.1
150.03098	5.0
151.03889	16.6
152.03372	2.3
153.06566	2.2
154.02586	4.1
161.06035	1.1
166.09724	3.2
167.04498	2.6
167.08159	1.7
169.04968	36.5
176.22757	0.9
179.04529	12.3
180.01161	27.5
181.06081	1.4
182.02164	1.4
185.05608	2.4
185.78085	1.0
197.05536	1.3
210.08794	10.7
228.10004	1.3
229.08659	81.5
230.08978	1.7
247.09741	3.0
247.42053	1.1
249.74947	1.0
254.07809	19.5
255.06564	2.0
271.10724	2.4
272.08905	69.5
273.07663	70.2
274.08203	1.8
285.22241	1.1
289.11984	4.5
298.59995	1.1
315.08997	2.4
398.26337	1.1
435.12982	100.0
436.13278	4.4
453.11063	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1709
Annotation	Marchantin M
Peak:m/z	Relative Intensity
53.63387	0.5
63.29615	0.6
65.00867	0.5
66.09642	0.5
71.39101	0.5
81.94067	0.6
86.12465	0.6
121.02830	5.9
136.01534	2.0
145.02838	1.2
197.05980	1.8
208.05164	1.2
210.07106	0.7
211.07596	1.3
211.68950	0.7
213.05499	0.7
225.05537	18.1
226.06296	7.2
227.06990	1.0
229.35168	0.6
303.10349	0.7
316.10962	0.8
331.09818	7.4
332.10358	1.8
437.14044	2.0
438.14709	16.7
439.15643	0.8
453.17096	100.0
454.17331	4.8
460.91324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.9
61.98669	0.7
74.63811	0.6
75.53276	0.6
93.03311	0.7
119.04896	2.2
120.86510	0.7
123.70660	0.7
154.97874	0.7
168.32959	0.7
179.39650	0.7
190.03912	0.7
196.05222	2.6
198.06842	0.9
208.05247	2.2
209.06021	2.3
210.06830	2.3
221.06088	0.7
222.06815	1.9
285.09134	1.0
297.09210	1.4
314.09506	2.3
315.10236	5.9
327.10291	1.1
334.16534	0.9
334.20294	0.8
374.49689	0.8
393.14877	1.5
403.13504	8.6
421.14484	100.0
422.14883	6.1
453.17017	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	454.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64634	0.1
61.97293	1.4
61.98692	100.0
61.99910	1.7
78.95782	0.1
79.52339	0.1
109.02360	0.1
112.24322	0.1
123.04408	0.2
124.04755	0.1
227.54622	0.1
229.08752	0.3
230.09125	0.4
231.09248	0.2
232.09657	0.2
236.80545	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	455.0976
Annotation	FMN
Peak:m/z	Relative Intensity
50.67877	0.2
54.87048	0.2
59.01238	0.8
65.57206	0.2
67.35513	0.2
71.01225	0.3
78.93741	1.0
78.95760	79.5
78.97507	1.1
82.23492	0.2
85.02813	0.2
89.02315	0.4
94.16096	0.2
96.94076	1.0
96.96820	100.0
96.99194	1.4
103.71039	0.2
106.24657	0.2
107.04913	0.6
113.02293	0.5
120.64677	0.2
121.92318	0.2
125.05921	0.5
138.97896	4.1
144.08098	0.4
169.04971	0.6
169.07669	0.3
179.05460	0.2
180.98907	0.3
184.08755	0.8
185.07260	0.3
198.06653	1.8
199.00066	11.8
210.41278	0.2
212.08243	5.3
212.10147	0.4
213.01646	10.4
213.08954	0.7
220.37016	0.2
241.07303	5.1
243.08859	0.3
255.08868	7.5
256.09265	0.2
257.08157	1.0
275.09378	1.1
283.02444	0.6
285.04077	0.8
319.77716	0.2
357.12149	0.4
368.09906	0.3
374.55438	0.2
437.08707	0.4
455.09763	22.3
456.10239	1.3
472.57724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22344	0.1
51.93859	0.1
52.68375	0.1
57.53797	0.1
59.01221	0.1
73.21412	0.1
77.58199	0.2
77.98862	0.1
81.03300	0.2
91.73286	0.2
93.03313	2.8
94.35522	0.1
95.01234	0.3
106.04132	0.3
107.04890	2.7
108.02024	0.8
109.02811	4.1
117.03364	0.2
119.04898	0.5
121.02820	12.6
121.06501	0.2
122.03643	2.0
123.00728	0.7
123.04395	1.0
124.01543	0.5
132.28909	0.1
133.02824	0.3
134.03590	0.3
135.04408	0.2
136.01537	3.8
137.02322	10.3
138.03108	5.5
139.03918	1.7
143.04915	0.4
148.26506	0.1
149.02271	0.3
154.02638	0.2
156.05669	0.2
157.06450	0.6
159.04314	0.2
167.04895	0.3
169.06490	1.5
171.04347	0.2
171.08044	0.5
179.04913	0.2
180.05754	0.2
181.06543	0.8
181.35481	0.3
182.07288	0.2
182.81111	0.2
183.04420	0.3
183.08090	0.8
184.05249	0.3
185.05988	0.9
195.04387	0.7
196.05200	0.6
197.06010	5.4
197.07857	0.3
198.06679	0.7
199.07579	1.7
204.07286	0.2
207.04732	0.2
208.05307	1.0
209.06021	1.5
210.06802	0.6
211.03995	0.6
211.07555	0.8
212.04747	0.4
213.05539	1.4
214.06264	1.0
215.07051	0.3
223.03957	0.3
224.04773	1.5
225.05534	22.8
226.02998	0.2
226.06308	11.3
227.07092	26.7
228.04259	0.2
228.07770	2.5
229.08676	3.1
230.09109	0.2
239.07098	0.8
240.07878	0.2
241.05028	3.6
241.07640	0.2
241.08655	0.3
242.05788	2.6
243.06544	0.6
244.07387	0.3
245.08037	0.1
258.05350	0.7
263.10742	0.4
265.08646	0.2
274.61337	0.1
275.10681	0.2
279.10257	0.8
291.10318	0.2
303.09995	0.2
305.11801	0.4
307.09756	0.3
308.10529	0.3
315.10193	0.3
317.11685	0.3
319.09790	0.3
320.10544	0.2
321.11374	0.3
331.09860	1.1
332.10587	1.0
333.11279	1.3
335.09372	0.2
336.09933	0.2
342.58524	0.2
342.90674	0.2
347.09290	1.0
348.09943	0.7
349.10828	4.7
354.27972	0.1
361.11002	0.2
364.09756	0.3
377.00229	0.1
411.15991	0.2
427.15451	0.6
437.13968	0.4
455.15030	100.0
456.08887	0.3
456.15341	6.2
471.84650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41241	1.1
58.06150	1.5
59.01254	4.6
61.98698	1.5
63.11047	1.2
76.04881	1.3
82.85425	1.4
93.03339	1.3
108.02067	3.3
116.20376	1.4
119.04898	1.4
121.02841	2.9
122.03613	3.2
123.00748	3.6
123.04436	1.9
136.01572	4.5
137.42616	1.4
151.00307	6.6
152.01054	16.6
181.06619	1.7
189.94690	1.6
192.95862	3.4
197.66241	1.8
209.06018	1.9
211.07591	2.1
224.04805	4.8
225.05627	3.5
226.06375	1.6
227.07141	2.7
233.51537	1.6
242.05875	10.9
257.62369	1.7
274.04993	2.9
371.04868	2.1
393.15109	2.3
409.14932	1.8
437.13965	100.0
438.14526	5.6
455.15073	43.1
456.15662	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	455.1502
Annotation	Marchantin D
Peak:m/z	Relative Intensity
51.82479	0.4
53.36181	0.4
59.01209	0.7
63.04480	0.4
77.91331	0.4
80.02534	0.7
80.94562	0.7
81.80857	0.4
93.03326	0.9
94.00354	0.4
95.01223	1.0
106.04078	1.1
107.01231	0.8
107.04884	3.7
107.06457	0.5
108.02034	4.7
109.02770	0.6
111.49982	0.9
111.50706	1.0
121.02013	0.7
121.02820	8.2
121.82851	0.5
123.00754	5.2
123.04392	0.4
124.01526	12.7
125.02317	0.5
136.01537	4.7
137.02243	1.4
139.00226	1.8
149.99501	1.4
151.00255	4.1
151.57111	0.5
152.01044	10.8
153.01810	2.2
169.06572	0.8
180.05739	0.9
181.06528	1.3
184.05183	0.8
185.05969	1.4
192.95782	0.6
195.04446	1.2
196.05284	2.4
197.06033	4.1
198.06615	0.7
207.69913	0.5
208.05212	0.9
209.06004	1.3
211.03967	0.5
211.07585	1.7
212.04735	1.4
212.08311	1.0
213.05518	3.1
213.09045	0.9
214.06310	6.5
215.06985	1.4
224.04762	10.4
225.05537	12.6
226.06123	0.9
227.07001	0.9
235.00980	0.6
239.03337	0.6
240.04253	2.8
241.05060	3.8
242.05814	46.0
243.06351	2.3
246.05289	3.5
274.04834	17.0
319.10004	0.8
319.13370	4.0
320.10568	2.8
329.08124	0.7
330.08759	1.1
331.09659	1.6
336.10117	0.8
348.10025	4.0
364.09564	6.0
382.07986	0.6
427.15469	1.4
437.13947	51.8
438.14200	3.2
455.15018	100.0
456.15225	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	455.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
59.17136	0.5
61.98690	1.1
62.96283	0.3
72.91325	0.2
75.97055	0.3
78.93737	0.5
78.95759	62.8
78.97552	1.1
82.95269	1.4
91.73295	0.3
96.96823	5.9
103.92403	0.3
150.97920	2.0
152.93996	0.7
152.99472	100.0
153.04311	1.2
171.00539	3.1
171.42719	0.3
177.32300	0.3
192.95715	0.4
194.52000	0.3
215.28156	0.3
243.16118	0.3
301.21704	0.3
413.86264	0.4
455.17813	0.5
455.22223	7.4
456.22641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89478	0.5
59.01235	0.8
65.48441	0.6
77.92286	0.6
78.95760	56.0
78.97575	0.9
88.45180	0.8
95.51698	0.7
96.96829	6.3
150.97914	1.8
152.99475	100.0
171.00534	3.7
186.08371	0.7
440.15585	1.2
455.16699	3.8
455.22308	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	455.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.6
58.49413	1.4
59.00101	2.3
59.01242	100.0
61.98679	3.9
69.03293	4.2
69.68304	1.4
71.01239	3.7
85.80511	1.7
106.25851	1.9
116.47824	2.0
117.60277	1.7
143.87572	1.8
177.12683	3.5
181.94492	2.0
189.55292	2.0
205.15886	3.9
206.51013	1.8
215.14372	5.1
224.06720	1.8
233.15457	35.1
265.18097	64.8
266.18481	2.6
274.32553	2.2
287.16544	14.9
291.19669	9.7
319.19138	6.8
345.20944	2.4
363.22021	4.6
455.14432	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	455.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82336	1.0
59.01243	2.5
63.96105	7.4
65.89956	1.0
68.99674	4.0
79.95584	3.8
80.96381	1.3
81.03304	6.8
91.05381	7.6
91.72713	1.2
93.03311	3.4
93.06943	1.6
95.01243	12.4
95.04879	6.4
106.04126	1.9
107.04881	13.3
108.02045	2.7
109.02824	5.3
119.04887	21.5
121.02866	3.3
121.06445	9.7
122.03605	5.7
123.04350	2.9
126.03548	1.2
133.06465	69.6
134.06886	1.1
135.04391	85.1
136.04732	1.2
137.05968	27.4
141.27144	1.0
143.08969	2.8
147.04405	14.7
147.36714	1.3
150.03116	3.0
150.06747	3.8
151.02200	2.0
151.07582	1.4
152.99417	1.7
162.36356	1.3
163.03937	2.5
164.02914	2.5
175.07996	1.4
179.01633	6.3
180.02402	11.7
181.03195	1.5
182.05801	4.4
212.01440	9.8
229.48285	1.5
245.55675	1.3
250.53221	1.3
261.18692	3.2
275.14996	1.8
276.83337	1.4
293.15692	7.8
294.16577	32.2
295.17197	2.0
311.17065	1.7
326.15598	100.0
327.15985	2.8
386.16879	1.4
455.26788	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	456.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56062	0.1
59.01239	0.3
61.97343	1.6
61.98693	100.0
61.99860	1.4
62.65070	0.1
83.89868	0.2
87.22385	0.1
89.64407	0.2
91.26427	0.2
91.44357	0.2
128.03380	0.2
135.52090	0.1
160.03831	0.2
248.99194	0.2
251.06902	0.2
278.86588	0.2
295.05865	0.2
320.00095	0.2
320.21490	0.2
463.50967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10345	0.7
50.15081	0.5
55.41256	0.9
57.03316	5.2
58.02840	8.0
59.01238	9.5
66.03343	0.8
67.48945	0.7
68.29768	0.6
71.01234	5.7
73.02805	3.5
74.01945	1.2
74.02328	15.3
78.17290	0.6
81.04472	0.8
81.34263	0.7
83.01221	1.1
86.02327	8.5
86.05972	1.9
87.05480	3.6
89.02296	7.6
97.03931	1.7
99.04390	2.0
99.05499	16.6
101.02311	5.9
101.07059	1.8
102.05474	1.9
107.05944	0.9
109.03904	1.3
111.05486	1.0
112.03873	1.1
113.02295	2.9
115.00188	1.0
119.03371	2.2
123.04408	0.7
123.05499	1.5
124.03888	0.9
124.07516	0.8
124.85251	0.8
125.02293	0.9
125.03432	1.2
127.05003	1.3
128.03409	46.3
128.27057	0.8
134.03589	1.7
135.05496	2.7
139.99261	5.2
141.06534	1.7
143.04506	66.3
145.06052	2.3
146.04457	6.0
150.05501	5.1
151.06026	1.4
153.06618	2.1
154.00858	3.9
161.04407	1.4
166.09784	2.9
167.04572	1.5
167.08218	0.9
179.04376	9.3
181.06027	2.2
183.97824	1.2
184.04292	50.8
185.05676	1.8
192.07716	1.0
197.05562	1.2
210.08768	12.1
228.09866	1.3
254.07817	23.4
272.08905	100.0
273.09113	3.0
295.10172	1.8
299.55133	0.8
313.11453	12.8
314.11734	0.8
323.47067	0.8
340.00870	0.8
355.12643	3.9
457.15283	8.9
470.68918	0.9
472.32230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95251	1.0
51.64388	1.0
57.03315	23.0
58.02834	10.4
59.01241	39.9
71.01240	25.3
72.99173	1.4
73.02803	22.3
74.02323	15.7
78.95762	2.0
83.01254	4.3
85.02795	5.5
86.02332	8.2
86.05979	1.8
87.05483	4.7
88.03906	1.4
89.02295	32.0
96.83263	1.4
96.95870	5.2
97.02804	2.4
97.03920	1.9
99.04396	6.9
99.05488	16.8
101.02302	30.2
101.07054	2.7
102.05449	2.1
109.03928	1.4
109.40083	1.3
112.03938	2.3
113.02309	16.9
113.05959	1.6
114.93281	1.9
115.00257	1.9
115.03894	3.0
117.01819	4.7
119.03359	13.9
123.04396	6.3
123.05332	1.5
125.02320	5.8
125.03362	1.4
128.03403	53.8
131.03398	2.5
133.04967	4.2
135.05518	2.9
137.07048	1.4
139.99251	9.4
140.88844	1.1
141.06584	2.5
143.03436	4.6
143.04500	77.0
145.06062	3.1
146.04475	5.7
149.04457	3.0
150.05472	4.6
151.05998	7.8
153.06590	3.1
154.00847	2.7
161.04471	7.4
162.40964	1.5
166.09801	2.1
167.04573	2.0
167.08226	1.9
175.06169	1.5
179.04422	7.7
179.05565	10.7
181.06032	1.5
184.04295	53.4
197.05589	1.3
210.08800	10.6
221.06610	2.8
254.07841	27.5
272.08881	100.0
273.09149	2.5
295.10489	10.8
296.10565	1.3
313.11423	61.8
355.12396	16.7
395.15533	4.6
419.08325	1.4
457.15567	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	457.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87983	1.5
57.02259	2.1
57.03316	98.7
59.00140	1.7
59.01242	100.0
59.04022	1.6
61.98693	2.4
63.44857	1.8
71.01238	22.3
73.02802	8.9
83.01244	3.5
85.02809	13.3
89.02301	3.0
95.01232	2.3
96.95909	2.3
99.00696	2.0
99.04378	93.7
101.02296	45.1
113.02308	10.6
125.02327	26.2
143.03397	4.5
145.10228	2.3
161.04446	9.9
174.99139	5.0
217.00243	17.3
228.61201	2.2
313.16571	34.8
355.17633	3.6
361.72498	2.4
374.99210	9.1
457.20596	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	457.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53536	0.8
72.99191	1.3
81.70132	1.4
91.72878	2.0
91.73370	1.4
98.02504	1.2
99.92453	5.4
100.93224	19.6
115.91939	100.0
116.91990	1.8
116.92725	7.6
131.03706	1.2
132.92241	1.4
158.16315	1.5
166.45409	1.4
172.95419	5.8
181.95776	1.3
194.91116	1.4
224.76929	1.3
233.52795	1.4
380.53745	1.4
421.11417	3.0
457.22736	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	458.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88125	1.8
53.83638	1.3
57.03034	2.5
57.03316	48.3
57.04479	1.4
57.61016	1.3
57.70802	1.4
58.37202	1.2
59.00974	1.7
59.01243	18.3
62.38520	1.4
67.70956	1.4
71.01243	8.3
72.36250	1.5
72.49222	1.3
73.02805	3.6
83.01246	2.0
84.57029	1.4
87.00733	3.8
89.02299	3.6
96.95861	2.0
99.04370	12.1
101.02303	19.0
108.39957	1.3
113.02304	3.4
119.03483	2.2
122.05984	1.8
124.07570	8.5
125.02303	4.2
128.03392	1.7
132.04411	4.7
134.05974	12.9
136.07553	14.1
136.89580	1.5
140.92200	1.6
148.07422	1.7
150.05507	3.1
152.07063	92.2
210.57242	1.5
218.85405	1.4
256.09207	1.6
296.11481	4.7
314.12473	100.0
315.12845	4.7
323.71729	1.9
356.13519	56.6
357.14001	2.9
396.16592	22.5
458.16602	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	459.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.1
57.67957	0.6
59.01242	5.6
59.85929	0.7
61.98678	0.9
63.02261	0.7
65.00178	3.5
67.11925	0.8
71.01234	2.2
72.99213	0.9
75.00722	0.9
85.02811	4.6
92.99678	5.2
95.01229	1.0
96.95873	14.0
99.00723	0.8
99.04365	2.9
101.02296	1.0
113.02308	5.6
117.01838	0.7
117.02554	1.5
117.03329	20.7
120.99207	2.8
125.02316	2.2
128.03331	1.0
135.00763	2.3
136.98689	5.1
159.04414	1.2
161.02341	25.8
162.02594	1.1
163.00255	5.5
164.98250	1.5
171.04430	0.9
175.02417	1.2
183.04425	3.9
187.03920	16.0
188.04227	0.9
211.03946	3.4
220.11526	0.8
227.03502	2.1
255.02991	53.4
256.03296	2.3
283.02502	100.0
284.03000	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50032	0.6
57.03306	1.5
59.01232	3.0
60.08923	0.6
61.98678	1.9
62.39698	0.6
63.26307	0.7
67.16476	0.7
71.01225	0.8
73.02792	0.8
79.95592	1.7
87.61716	0.7
89.14476	0.8
96.95867	100.0
96.98647	1.2
99.04390	1.5
101.02318	1.7
102.05449	0.7
120.04410	1.4
128.03401	2.4
132.75790	0.7
133.23515	0.7
135.04382	1.4
138.57323	0.8
146.04401	1.2
153.05473	3.0
186.09190	3.1
229.09756	3.9
255.03044	4.0
267.18320	1.7
273.08841	5.3
283.02484	2.8
285.19266	1.6
299.10605	0.9
301.08282	0.9
306.84790	0.8
315.10907	1.7
339.02811	1.0
357.04099	7.0
357.11887	0.8
361.10394	8.7
399.05072	5.9
401.02896	1.1
459.24902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.2
71.01244	0.6
79.95592	1.5
82.89970	0.4
83.04884	0.5
83.88982	0.4
89.02280	0.7
96.93360	1.4
96.95871	100.0
99.04348	0.7
101.02275	0.5
113.02281	0.8
115.00253	0.9
128.03368	0.6
132.04333	0.6
139.33748	0.5
156.99037	0.4
168.62202	0.5
175.02487	0.5
186.09196	1.8
215.15768	0.5
224.44312	0.4
229.09834	2.7
255.02983	16.1
256.03290	0.8
273.08859	3.8
283.02505	11.5
284.03134	0.7
299.10367	0.6
311.03543	1.4
361.10321	2.2
373.88889	0.5
399.05222	1.2
417.05853	0.6
459.19135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
59.01236	3.4
61.98692	1.6
62.95621	1.5
69.87924	1.7
75.00706	1.6
83.04906	3.4
85.02794	1.5
87.00700	1.6
93.03282	2.5
96.95872	4.1
97.02823	4.6
109.02815	2.0
111.04369	21.0
116.92723	2.0
121.02798	6.9
123.04415	5.6
124.01540	3.1
124.63296	1.7
128.03413	1.9
137.02364	4.2
138.03139	3.9
139.03886	50.2
175.02481	2.0
215.07095	46.7
216.07372	1.8
220.29578	1.7
243.06618	100.0
244.07013	3.4
255.03036	24.7
255.82507	2.1
258.05255	2.0
261.07693	65.4
262.08087	2.7
283.02487	21.4
423.13007	61.8
424.13159	3.2
440.25174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99510	0.2
59.01236	0.9
71.01234	0.6
73.01121	0.5
73.02805	39.0
74.02327	0.3
77.78655	0.2
78.06458	0.2
79.54185	0.2
89.02301	0.8
99.00737	4.9
99.92421	0.3
113.02290	0.3
115.00253	0.4
116.07050	0.5
116.92729	5.0
116.98293	1.2
117.01803	100.0
118.02148	0.6
118.04955	0.7
133.01306	0.4
147.59608	0.3
179.05443	0.2
194.04874	0.7
331.09631	0.3
341.10971	1.2
342.11200	0.5
425.98380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87027	0.7
72.14844	0.9
77.64390	0.7
87.43586	0.8
95.41718	0.7
111.62191	0.9
121.02808	4.5
134.99399	0.8
194.07300	1.5
195.08121	2.8
209.05969	1.8
210.06790	3.2
224.08455	1.9
244.07323	1.2
267.40814	0.8
290.89404	0.8
299.10828	5.5
317.11893	2.3
341.37415	0.9
405.14761	6.3
423.16064	100.0
424.16382	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.7
57.03304	4.1
59.00972	2.5
59.01244	35.8
61.98695	2.7
62.86367	1.9
69.03320	2.1
69.11596	1.7
71.01240	86.6
72.99158	3.0
73.02803	38.2
78.25901	2.0
78.95761	5.6
83.01247	11.9
85.02809	45.5
87.00735	10.2
89.02296	12.6
95.01259	6.6
96.95879	8.2
98.95410	2.1
99.00742	10.9
99.04379	2.2
101.02299	44.2
103.03882	5.4
107.04887	100.0
107.07570	1.9
113.02302	48.7
115.03848	4.4
119.03346	3.4
125.02294	4.1
128.03433	4.9
131.03374	7.2
140.34567	2.0
143.03380	15.9
145.04890	2.2
159.02917	7.2
161.04448	98.5
163.06015	3.0
205.07068	11.4
269.10455	12.0
279.02899	2.1
340.44855	2.5
341.63589	2.6
415.16150	51.7
459.15125	59.2
459.25516	2.8
460.15326	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	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64149	0.9
54.33581	1.1
57.03317	74.8
57.04465	1.4
58.68771	1.0
59.00125	1.4
59.01243	100.0
59.02488	2.0
61.98672	1.4
71.01241	29.2
73.02807	32.0
79.05360	2.4
81.03325	2.7
82.74566	1.3
83.01242	9.0
85.02799	5.4
87.00742	1.4
89.02298	21.7
95.01257	2.3
96.95863	3.5
97.06457	1.7
99.01954	1.5
99.04377	91.9
99.07109	1.7
101.02306	54.5
107.04902	1.7
113.02307	22.8
113.05933	3.5
116.92721	2.6
119.03353	10.3
121.02823	2.1
123.04406	21.1
125.02319	41.7
125.03242	2.4
128.03386	3.5
131.03392	4.5
133.02814	3.7
135.04393	24.7
137.02310	1.8
141.05461	5.0
143.03386	8.5
149.04431	8.0
153.05438	3.0
155.03395	1.6
161.04453	16.9
179.05530	9.2
179.07094	3.4
183.06569	1.4
221.06596	3.1
237.11305	5.5
270.33450	1.4
281.19833	1.8
290.77890	1.4
393.38638	1.3
459.14981	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76693	1.5
57.02282	1.9
57.03318	65.5
59.00153	1.5
59.01242	100.0
59.02438	2.0
64.18095	1.6
66.30433	1.3
71.01236	15.0
73.02803	7.9
81.03327	3.2
83.01231	3.7
85.02805	10.7
87.00720	10.3
89.02310	3.8
91.73334	4.1
99.00741	2.2
99.04380	88.7
101.02302	34.3
113.02295	9.8
125.02311	42.0
128.07570	1.8
137.05972	2.4
143.03386	2.6
152.08353	2.4
153.09145	4.7
159.02844	2.6
161.04443	13.5
161.57602	1.8
163.09404	1.7
177.09157	1.8
178.61797	1.9
179.39926	2.0
225.11273	16.9
255.02940	12.3
258.55157	1.9
269.04556	5.1
272.90714	1.8
283.02478	9.7
284.03323	2.9
315.14545	18.1
357.15701	9.0
409.42899	2.2
445.07666	3.8
459.18704	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00185	1.7
57.03317	100.0
59.01242	87.6
59.01543	3.7
61.98684	6.4
62.91834	1.7
64.96425	1.8
71.01240	20.7
72.10801	1.7
73.02811	7.1
75.00742	2.3
79.18878	1.7
79.72575	1.7
81.03336	2.3
83.01240	2.9
85.02782	4.6
89.02300	25.5
96.95860	4.0
97.18721	2.1
99.04373	86.1
99.36773	2.3
101.02303	39.0
101.04932	2.1
110.12092	2.3
113.02310	9.2
119.03365	7.8
123.04388	3.2
125.02311	24.6
143.03392	7.1
149.04395	2.5
161.04468	5.2
179.05518	4.7
182.40996	2.3
193.77197	2.5
247.27861	2.2
254.87981	2.5
315.18124	14.6
319.70670	2.3
357.19403	3.5
374.00650	2.7
437.76144	2.8
457.11362	2.5
459.22073	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30792	2.6
57.03315	94.9
57.03582	6.0
59.00062	2.8
59.01242	100.0
61.98712	10.4
71.01253	15.0
73.02797	7.7
78.73230	2.6
83.01260	4.0
85.02834	11.8
90.83147	3.0
94.57288	3.8
96.95915	5.4
97.04496	3.1
99.00800	3.2
99.04378	87.7
99.04987	4.9
101.02305	46.1
101.02854	4.1
110.06144	3.0
113.02340	9.1
122.06336	3.0
125.02302	29.7
127.84734	3.9
143.03441	4.5
152.07066	4.0
161.04520	10.2
237.14760	3.2
273.57660	3.1
309.20877	3.9
315.18155	38.5
459.22623	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	459.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.7
66.93600	1.1
68.29142	0.9
75.03517	1.0
78.95761	10.3
85.59690	0.9
85.78847	1.0
91.72689	2.2
105.25696	0.9
124.99961	3.1
136.38406	1.0
152.99518	5.5
153.99797	1.8
154.99861	1.0
181.02626	2.8
199.03714	4.4
217.41841	1.1
226.06839	1.0
277.21744	100.0
278.22125	4.5
290.87476	1.1
310.91953	1.2
337.65405	1.1
423.16040	6.7
459.25110	7.1
459.31149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2909
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.12000	8.1
56.56851	7.8
75.31495	8.9
76.16267	10.4
89.79524	8.4
100.13428	8.4
102.78319	8.6
107.04913	25.7
116.92741	40.5
116.97149	11.5
121.95243	9.5
122.14565	9.4
145.79602	11.5
163.11185	100.0
183.59094	11.3
189.40163	11.7
224.28154	10.3
258.37756	10.4
283.17163	23.6
426.96426	11.1
459.28848	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	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
57.03334	0.5
59.01253	0.4
69.03316	6.7
71.04878	0.7
78.95766	0.4
80.02527	1.0
80.80744	0.4
81.03326	0.5
83.04866	1.1
87.55254	0.4
88.19086	0.4
96.95881	0.6
98.74729	0.5
101.36208	0.4
107.04883	4.7
109.03282	0.8
109.06455	67.3
109.09293	1.0
109.11894	0.9
109.12605	0.9
110.06799	1.2
114.76479	0.5
152.99513	0.8
183.01193	0.7
303.27014	2.6
314.57516	0.5
325.28879	1.0
327.26898	0.8
339.20206	0.6
341.28571	3.1
343.30072	36.1
343.46088	0.5
344.30313	2.2
345.27979	1.3
352.02090	0.4
369.31610	1.5
371.33188	15.5
372.33722	0.8
379.30051	1.1
397.31137	10.9
398.31512	0.7
402.79031	0.7
414.87961	1.5
415.32205	55.8
416.32791	3.6
423.15771	1.5
459.31216	100.0
460.31668	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	461.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04331	0.1
54.18994	0.1
57.03314	0.2
59.01240	1.3
63.02245	0.3
63.55785	0.1
65.00186	0.8
65.00485	0.1
67.01741	0.1
67.10779	0.1
71.01237	0.9
73.02802	0.2
75.00747	0.2
83.01237	0.8
85.02810	1.7
87.00734	0.3
95.01216	0.3
99.00764	0.6
101.02303	0.1
103.00223	0.3
105.03336	0.3
107.01244	2.2
113.02309	2.1
115.00230	0.2
117.01762	0.2
118.97946	1.0
121.02811	0.4
129.01819	0.1
132.02043	0.2
133.02826	10.5
134.03171	0.2
135.04430	0.2
141.34048	0.1
145.00140	0.1
147.04378	0.2
149.02330	2.3
151.00253	5.3
153.83156	0.1
157.06509	0.1
169.06546	0.1
171.04410	0.5
173.02287	0.2
175.02408	0.4
175.03886	2.6
177.01863	0.2
185.06068	0.4
187.03883	0.2
189.05490	0.2
193.48978	0.1
197.05983	0.4
198.03140	0.4
199.03938	2.3
201.01875	1.0
212.04715	0.2
213.05537	0.6
215.03464	0.4
217.05003	1.4
223.04039	0.2
229.05034	0.3
239.03429	0.3
240.04095	0.1
241.05006	1.0
243.03026	0.8
256.03726	0.1
257.04602	0.4
267.02982	0.4
268.03745	0.8
283.02481	0.1
284.03220	0.4
284.91266	0.9
285.04053	100.0
286.04391	3.7
327.05106	0.2
337.15634	0.1
341.20050	0.2
461.07187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	0.2
57.03311	0.2
59.01240	2.1
60.15451	0.3
61.88257	0.2
62.64602	0.2
63.02259	1.0
65.00197	0.4
67.01782	0.3
68.51118	0.3
70.13386	0.3
71.01241	2.5
72.99154	0.5
75.00724	0.7
83.01247	0.7
85.02800	2.4
87.00729	0.8
89.02314	0.4
95.01236	0.5
99.00728	1.2
103.00169	0.3
105.03339	0.6
107.01281	1.4
109.02816	0.7
113.02303	2.8
121.02813	0.5
131.64197	0.3
133.02827	5.6
138.74988	0.3
149.02365	1.9
151.00243	3.4
175.02435	0.5
175.03862	2.3
185.05995	0.5
199.03931	2.1
201.01880	1.2
213.05536	0.3
215.03380	0.4
217.05031	1.0
239.03590	0.3
241.05156	0.7
242.01988	0.3
243.03041	0.4
257.04587	0.5
284.03372	0.5
285.04059	100.0
285.17010	0.8
286.04407	4.9
286.07336	0.5
297.04138	0.4
327.05038	1.1
333.90887	0.3
354.53479	0.3
357.06067	1.0
381.06293	0.5
381.51968	0.3
461.07285	10.9
462.07767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93622	0.2
59.01239	0.6
63.02259	0.2
65.00182	0.7
68.16559	0.2
71.01238	1.1
72.99155	0.3
75.32223	0.2
83.01241	0.8
85.02802	1.0
87.00705	0.3
89.02276	0.2
93.93762	0.2
95.01234	0.5
97.02808	0.3
99.00735	0.6
103.22500	0.2
105.67225	0.2
107.01253	2.1
113.02332	1.2
115.00264	0.2
121.02779	0.3
129.01790	0.2
133.02821	10.0
139.75838	0.2
149.02327	2.2
151.00258	5.1
157.01393	0.2
171.04388	0.4
175.02402	0.5
175.03865	2.9
185.05984	0.2
189.05611	0.2
197.06110	0.2
198.03256	0.5
199.03954	2.3
201.01842	1.1
213.05582	0.5
215.03508	0.4
217.05026	1.6
223.04016	0.3
241.05148	1.0
243.03026	0.9
255.03117	0.6
256.03751	0.6
257.04523	0.4
283.02402	0.4
284.03366	1.0
284.91779	1.0
285.04062	100.0
286.04388	0.9
364.36426	0.2
461.07312	8.2
479.08456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53539	0.2
53.64774	0.2
54.25964	0.2
55.41082	0.2
57.03321	0.2
59.01247	1.5
59.39939	0.2
61.55257	0.2
65.00179	0.6
67.01732	0.9
71.01240	2.5
72.99155	0.4
73.02795	0.2
75.00706	0.7
81.70129	0.2
85.02812	2.7
87.00722	1.0
89.02299	0.3
93.03307	0.5
95.01234	1.4
97.02801	0.5
99.00720	1.0
103.00258	0.3
109.99950	0.5
111.00730	0.4
113.01555	0.4
113.02299	4.7
115.00201	0.4
115.09923	0.3
117.01777	0.4
117.03336	1.2
119.04865	0.3
123.00702	0.3
133.02811	0.8
134.81735	0.2
136.98674	0.8
137.02318	0.5
139.00229	1.1
143.04889	1.0
145.02840	1.8
155.04936	0.3
157.06464	0.5
163.00256	1.0
165.01840	0.4
166.99780	0.6
167.04955	0.5
169.06441	0.8
171.04495	1.8
172.04759	0.3
175.02451	1.3
175.03778	0.4
175.80687	0.2
185.05997	2.0
187.03935	3.7
190.99797	0.7
192.00549	1.0
195.04482	0.5
197.06021	0.8
199.03934	0.9
201.05492	0.4
211.03957	0.7
213.05502	6.7
214.05873	0.3
215.03476	0.9
217.05042	0.5
223.04082	0.4
227.03410	0.3
229.05029	2.0
239.03471	1.6
240.04268	0.8
241.05075	3.3
255.03011	0.9
256.03751	0.5
257.04517	1.3
267.03055	0.5
268.03885	0.3
283.02545	1.0
284.03287	2.4
285.04062	100.0
286.04431	3.5
399.07053	0.6
461.07312	10.5
462.07538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89791	0.1
56.59150	0.1
57.03305	0.3
57.25587	0.1
59.01242	1.3
63.02268	0.7
64.81298	0.1
65.00182	1.0
67.01768	0.1
68.99768	0.1
71.01240	1.9
71.16204	0.1
72.99140	0.3
75.00742	0.5
83.01236	0.6
85.02798	1.5
87.00714	0.4
89.02272	0.3
95.01233	0.4
96.95850	0.3
97.02825	0.1
99.00747	0.8
103.00240	0.3
105.03297	0.2
107.01237	2.1
109.02813	0.3
111.00765	0.1
111.01836	0.1
113.02303	1.9
115.00233	0.2
117.01768	0.3
120.01089	0.4
121.02808	0.5
128.03374	0.1
129.01784	0.1
132.02133	0.1
132.78860	0.1
133.02820	8.6
147.04344	0.2
149.02330	2.1
151.00255	5.1
157.64178	0.1
169.01373	0.2
169.06552	0.1
171.04431	0.5
175.02382	0.4
175.03888	2.9
177.01817	0.3
185.05988	0.4
189.05571	0.2
195.04282	0.1
197.06009	0.4
198.03130	0.5
199.03941	2.2
201.01892	0.9
210.48225	0.1
211.04019	0.2
213.05508	0.5
215.03465	0.3
217.05046	1.4
221.96899	0.1
223.03944	0.3
227.03404	0.1
229.04916	0.3
239.03496	0.2
241.05028	0.9
243.03024	0.7
255.02962	0.5
256.03610	0.6
257.04330	0.4
258.99704	0.1
267.02969	0.4
283.02417	0.3
284.03268	1.1
285.04053	100.0
286.04413	4.1
298.04660	0.2
315.45169	0.1
327.04980	0.5
327.08899	0.1
357.06192	0.4
381.06335	0.2
391.78857	0.2
399.07196	0.2
461.07281	9.3
462.07718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.2
59.00973	0.2
59.01241	2.5
59.11600	0.1
62.51958	0.2
63.02200	0.2
65.00179	0.4
67.01749	1.0
68.99677	0.3
69.03288	0.2
71.01238	2.0
72.99164	0.2
73.02792	0.3
75.00751	0.8
84.02025	0.2
85.02808	4.2
87.00720	0.6
89.02297	0.6
93.03320	0.4
95.01250	1.6
99.00726	1.6
103.00236	0.6
111.00716	0.5
113.02310	7.0
113.03104	0.3
115.00252	0.3
117.01798	0.5
117.03316	1.4
119.04897	0.7
123.00749	0.3
129.01819	0.3
133.02837	0.4
136.98686	0.4
137.02271	0.5
139.00249	0.9
143.04921	1.4
145.02852	2.2
147.00790	0.2
152.81454	0.2
155.04933	0.2
157.01361	0.3
157.06459	0.5
159.04388	0.3
163.00284	0.3
164.01060	0.3
164.98067	0.2
165.01848	0.5
166.99796	0.5
167.04919	0.7
169.06509	1.0
171.04385	1.8
175.02371	1.8
183.04468	0.2
185.06017	2.5
187.03929	4.8
188.04182	0.2
189.05458	0.5
190.99782	0.6
192.00551	0.7
193.94708	0.2
195.04407	0.3
197.05980	0.9
197.43646	0.2
199.03946	0.5
201.05534	0.4
211.03954	1.1
212.04704	0.3
213.05527	7.1
214.05907	0.3
215.03470	1.9
217.05049	0.6
229.05042	2.2
239.03484	1.0
240.04239	0.7
241.05037	3.4
242.05284	0.3
243.03073	0.3
255.02997	0.4
256.03745	0.4
257.04553	1.4
267.02994	0.5
283.02545	0.2
284.03235	0.3
285.04062	100.0
286.04401	4.2
461.07288	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	461.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
70.00041	0.4
70.49945	0.3
74.85754	0.3
80.88718	0.3
93.03317	1.0
96.95882	0.5
102.74850	0.4
106.04104	0.6
108.02017	0.3
109.02827	1.5
112.23788	0.3
114.11267	0.3
121.02818	6.4
123.04392	0.7
136.01543	1.6
137.02278	1.5
169.06497	0.7
171.04385	0.4
182.07303	2.8
183.08095	0.9
196.05185	0.5
197.05963	1.3
198.06784	2.1
208.05170	0.6
209.06023	0.9
210.06789	1.4
211.04074	0.5
211.07611	2.9
224.08395	0.4
225.05522	1.0
226.06337	7.0
227.06987	0.7
258.05396	1.3
285.04059	2.9
299.10922	0.7
302.13123	1.4
314.09265	0.6
326.09323	0.9
334.12079	1.1
342.08612	1.0
365.15369	0.6
370.08032	1.7
393.15253	0.7
405.14856	1.5
415.13217	0.7
417.14789	1.9
419.13248	0.5
423.15991	3.6
425.16724	0.7
433.14273	3.2
443.12573	1.0
461.13751	100.0
462.14154	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	461.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01711	1.4
59.01247	11.0
71.01241	13.6
72.99173	1.5
73.02800	1.3
74.86142	1.0
83.01253	1.4
85.02833	2.6
87.00735	24.4
94.79576	1.1
107.01216	1.4
113.02250	2.1
115.00242	54.2
133.02835	6.6
134.05998	1.1
137.93619	0.9
138.99136	0.9
144.96663	1.1
148.07555	3.3
149.02318	1.8
151.00264	3.3
157.01363	1.9
171.04468	1.2
174.05466	1.6
175.02397	100.0
199.03838	1.1
204.06523	1.6
206.08191	2.6
222.07594	2.0
262.07275	5.4
267.45789	1.2
285.04077	76.4
286.04410	4.1
322.09247	1.7
385.38138	1.3
461.07312	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28944	0.4
57.02205	1.3
57.03319	62.2
57.04556	0.9
59.00066	2.0
59.01244	100.0
59.02563	1.3
60.01588	0.5
71.01239	17.5
73.02804	4.7
81.03303	1.3
83.01254	3.6
85.02805	11.7
87.00732	2.0
89.02297	9.5
95.01254	1.8
99.00746	2.4
99.01805	1.2
99.04378	82.7
100.04681	0.7
101.02306	32.1
113.02316	12.8
118.97947	1.8
119.03355	4.0
125.02315	34.8
139.00224	0.8
143.03401	4.3
145.02802	0.9
155.10660	0.7
159.02843	1.5
161.04434	10.1
171.04378	0.8
175.02409	0.9
175.03844	0.8
179.05495	0.6
185.05867	0.6
193.90146	0.5
213.05484	1.8
229.04900	0.9
241.04930	0.6
257.04608	0.8
268.03665	2.3
268.82431	0.6
268.97003	0.5
276.09097	0.6
285.04065	36.8
286.04288	1.9
299.15106	1.1
302.65842	0.6
317.16064	25.3
359.17200	8.6
399.20084	1.9
417.21094	0.8
461.06934	0.9
461.20337	8.9
462.20389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32505	0.1
55.01785	0.2
57.02209	1.3
57.03318	63.9
57.04599	0.7
58.00460	0.3
58.03655	0.7
59.00081	1.9
59.01243	100.0
59.02590	0.9
60.01580	0.5
60.87164	0.1
65.62888	0.2
65.68254	0.2
69.03329	0.2
70.99701	0.3
71.01241	19.9
72.99181	0.3
73.02805	6.4
74.03146	0.2
75.00737	0.4
78.33566	0.2
81.03316	1.8
83.01240	4.2
83.01698	0.3
84.02019	0.2
85.02808	10.0
87.00742	0.9
89.02300	8.6
95.01236	1.4
97.02840	0.4
97.30284	0.2
99.00754	2.6
99.01828	1.3
99.04378	86.4
99.07313	0.6
100.04696	1.0
100.99657	0.4
101.02303	34.1
102.02631	0.3
113.02309	10.4
118.97955	0.6
119.03365	2.7
125.02315	33.1
126.02628	0.5
129.01816	0.3
131.03366	0.4
133.02876	0.2
143.03380	4.1
155.10622	1.4
159.02887	1.4
161.04456	10.3
162.04863	0.2
171.04364	0.2
179.05495	0.4
187.03996	0.4
213.05554	0.3
241.05034	0.2
277.80612	0.2
285.04077	8.0
286.04492	0.3
299.14990	1.3
317.16068	24.1
318.16553	0.9
327.04855	0.2
327.09964	0.2
340.93448	0.2
359.17151	9.9
360.17514	0.4
399.20197	1.9
417.21414	1.4
461.07169	0.6
461.20349	9.4
462.20798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65170	0.8
52.85538	0.7
56.45193	1.0
56.78587	0.7
59.01242	1.6
61.98693	1.3
76.68967	0.8
79.95600	2.0
85.76010	0.9
93.96033	0.8
96.95870	100.0
106.04103	14.3
108.02029	2.2
116.33530	1.1
138.03201	1.3
142.51662	1.0
148.11234	1.7
150.63560	0.9
174.09169	11.3
196.16524	1.1
198.73738	1.2
200.04057	1.0
212.10834	2.4
252.13988	1.7
254.15475	4.3
280.13431	23.8
285.04111	2.7
286.04413	3.3
294.08298	1.6
298.14511	12.9
318.09689	1.2
320.11682	1.1
321.50165	1.2
324.12445	15.4
334.07773	2.9
342.13486	82.5
343.13846	2.6
364.10742	4.6
380.08221	24.6
402.07083	3.1
443.32651	1.6
462.08331	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	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34721	1.4
57.03316	31.9
58.41354	1.3
59.00971	2.7
59.01244	30.8
61.98686	3.6
68.79083	1.5
71.01237	18.4
73.02810	9.8
83.01244	2.1
85.02816	6.9
89.02310	17.5
96.95882	6.8
99.04382	10.4
101.02300	26.5
113.02300	10.8
119.03397	7.6
123.83599	1.6
125.02316	8.7
128.03423	5.6
138.05482	16.5
156.06532	14.0
173.07162	1.9
251.18813	1.9
258.34976	1.9
300.10904	18.3
318.11951	100.0
360.13049	41.9
400.16159	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Eriodictyol 7-glucuronide
Peak:m/z	Relative Intensity
54.11397	1.0
57.03309	4.9
59.01239	12.6
65.00181	1.9
65.56760	1.0
68.99674	1.1
71.01246	6.0
72.99154	1.6
74.02326	6.5
75.00733	1.3
80.09293	0.9
83.01221	2.5
85.02798	7.6
87.00720	2.0
89.02296	1.5
93.03352	2.9
95.01243	5.8
96.95841	1.1
99.00734	4.3
99.04381	3.5
101.02287	2.8
103.00217	2.1
109.02767	1.2
111.00758	4.6
113.02304	15.7
116.03403	2.1
117.01802	1.2
117.05524	1.1
119.04884	26.7
120.01140	2.0
123.00781	4.0
124.01559	1.3
125.02334	7.2
128.02541	1.2
128.03337	5.4
136.98672	4.8
139.00267	16.0
141.01796	1.6
143.04527	4.7
151.00232	1.4
153.01822	27.2
166.99757	23.6
175.02377	5.9
181.01340	13.3
193.01337	2.2
193.03578	1.4
217.00253	2.0
241.05106	2.3
246.39861	1.2
254.07806	2.7
255.02982	3.3
259.06058	2.7
269.01825	1.6
269.04489	6.8
271.02444	7.4
272.08932	2.5
285.04105	2.9
286.04388	3.9
287.05627	100.0
288.06064	3.2
297.12509	2.3
300.02737	8.6
301.03534	3.6
306.07608	9.7
307.07904	3.0
319.13876	2.5
323.18619	2.4
341.19635	8.2
342.20001	3.9
413.58499	1.4
463.08902	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
61.98697	3.4
71.01228	4.0
80.02485	2.3
117.03323	6.6
132.02046	12.5
134.03613	72.2
134.04521	2.9
149.05988	12.3
149.46776	2.6
152.99377	2.5
160.01561	45.9
174.99159	4.2
175.03908	74.6
175.11192	4.6
193.04973	92.4
201.12778	9.5
209.36386	2.9
217.00269	18.0
233.15434	3.2
239.20193	4.2
241.21675	7.8
269.21265	3.7
287.22290	59.6
299.20236	6.8
349.98087	3.2
353.21292	5.0
376.61688	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	463.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70304	0.6
57.38036	0.5
59.00071	2.1
59.01241	100.0
59.02540	1.1
60.10102	0.6
60.50892	0.5
63.14943	0.6
67.40071	0.7
85.41659	0.6
88.60473	0.6
89.49971	0.6
96.00760	0.7
96.70184	0.7
96.95865	5.1
98.86248	0.6
104.29550	0.7
105.15256	0.7
174.99091	0.9
217.00331	2.7
261.57825	0.7
269.21439	1.3
328.55731	0.7
329.23340	7.9
425.17490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24920	0.3
57.03306	0.5
58.71971	0.3
59.01242	29.2
59.02416	0.5
60.64867	0.7
61.98687	0.6
63.40526	0.3
68.99670	0.9
71.00868	0.6
71.01237	5.5
73.02792	1.3
83.01260	0.4
85.02805	2.0
86.05746	0.4
89.02297	0.8
93.03313	4.0
96.79116	0.6
99.00748	0.7
101.02304	3.5
108.02024	1.9
113.02306	3.5
120.67206	0.4
121.02818	74.6
121.06250	0.9
122.03627	9.4
122.87593	0.3
134.03648	0.4
136.05234	0.5
142.22353	0.3
143.03384	0.8
146.03705	0.5
146.60519	0.4
150.03130	2.2
154.92276	0.4
159.02852	1.1
161.04451	9.7
187.89513	0.4
190.95653	0.4
226.06322	0.6
228.07797	2.0
229.08714	1.1
241.08696	1.1
242.09464	46.2
243.10240	100.0
243.19984	1.0
244.10611	3.8
255.10249	0.7
257.08139	2.2
257.11844	0.9
264.40625	0.4
275.09247	0.6
285.11349	5.5
297.11307	2.0
404.54416	0.5
405.15536	6.0
406.15994	0.5
415.01874	0.4
479.40048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.3
59.01238	7.4
60.61264	2.3
61.98706	2.2
69.03338	2.1
69.65580	2.3
69.91109	2.3
71.00871	4.7
71.01242	58.4
71.01630	4.1
72.02023	8.8
73.02802	8.3
86.34206	1.8
86.66739	2.1
87.04375	48.8
95.04884	2.4
97.06428	3.8
99.04374	6.6
103.28018	2.5
115.00241	46.5
127.11184	3.3
133.01292	14.4
139.07529	15.2
153.09117	19.1
163.14807	3.8
205.19615	7.0
261.22229	18.5
261.85556	2.5
269.22849	6.1
275.24072	3.4
277.21765	8.2
287.23795	19.1
305.24884	100.0
306.25357	3.9
349.23990	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	465.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.3
58.28554	0.7
59.01242	13.2
61.98691	1.7
69.03303	1.8
71.01240	57.5
71.02861	0.9
71.04876	1.2
72.02027	8.8
73.02797	8.5
75.01865	0.7
75.58068	0.9
83.04903	1.5
87.04371	45.4
97.06441	2.5
97.54917	0.9
99.04371	2.1
109.06432	2.8
110.81702	0.8
113.09600	0.9
115.00235	46.5
121.87280	0.8
127.11172	2.9
133.01303	15.8
135.08069	1.6
135.11668	1.4
137.09663	1.3
139.07542	15.8
139.11139	1.4
141.12688	1.1
153.09102	16.0
153.12720	3.1
165.09070	1.3
167.10689	1.1
167.14276	2.0
167.21190	1.0
167.49524	0.9
184.68140	0.9
205.19534	6.8
217.19594	1.1
231.71059	0.9
233.22823	2.2
235.16934	1.0
243.21001	1.4
259.20737	1.2
261.22226	15.9
269.22687	4.7
275.23798	3.2
277.21805	9.0
277.24881	1.3
287.23846	20.9
305.24881	100.0
306.25262	3.2
349.23898	21.8
350.24329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89524	5.9
71.36235	5.2
96.95869	100.0
142.37657	6.7
157.42043	6.5
178.74306	7.2
465.30292	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	466.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01216	0.4
61.98681	0.7
72.00768	11.1
91.05389	1.3
93.03342	1.0
96.95853	2.6
96.96868	0.5
113.73913	0.5
119.04955	0.5
123.00769	2.8
124.01543	0.5
125.23586	0.5
137.02357	0.8
138.03061	1.5
147.04404	38.1
161.04463	0.7
164.07071	100.0
165.07397	1.8
187.46388	0.5
244.77127	0.6
301.09177	1.1
323.22055	0.6
351.14432	1.4
363.93790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	7.3
61.98689	6.3
67.25446	1.8
71.04888	2.3
73.02788	1.9
76.55890	2.4
80.04885	2.4
82.02843	6.5
83.01239	6.3
91.51177	1.9
96.04411	9.0
98.02340	28.4
98.05984	7.9
108.04393	14.9
110.43156	2.0
116.92723	12.9
117.01724	3.5
118.04879	2.6
124.03901	21.7
126.05482	13.4
126.49670	2.4
127.00232	5.0
142.03267	6.0
142.04965	3.3
152.03445	19.1
152.78018	2.5
168.02969	15.1
169.11307	2.6
170.04559	14.5
196.02440	74.5
202.01723	51.0
214.03514	10.2
230.01256	29.4
248.02321	100.0
251.14818	10.2
351.14600	19.6
407.13596	3.6
466.18903	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	466.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
55.37827	1.5
56.14675	1.6
57.03150	1.6
59.01233	3.1
61.98687	9.0
63.38952	1.7
71.04883	2.7
72.90506	1.7
81.82487	2.2
82.02831	3.8
83.01242	4.4
83.04903	4.0
89.70406	2.5
96.04417	7.5
98.02341	26.4
98.05982	7.3
108.04417	11.0
117.09763	2.4
118.71798	2.3
120.01099	6.7
124.03914	21.4
126.05536	12.2
127.00239	4.7
142.03175	4.5
142.04950	2.8
152.03413	22.9
168.02907	14.0
170.04471	9.7
188.96696	2.5
196.02449	59.9
202.01732	42.4
214.03557	8.7
230.01245	33.5
248.02345	100.0
251.14735	10.0
259.86859	2.4
286.23846	3.9
351.14499	6.2
466.18872	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	467.1511
Annotation	Marchantin N
Peak:m/z	Relative Intensity
59.01254	2.6
61.98674	1.4
64.15521	0.4
72.99149	2.2
77.70007	0.5
79.70876	0.5
93.03322	1.0
97.71606	0.5
107.04895	2.0
108.02000	0.6
108.96255	0.5
109.02853	0.6
116.92700	1.2
117.92767	0.6
121.02011	0.9
121.02824	10.3
121.45557	0.5
136.01537	3.4
137.02339	1.5
138.03148	0.6
139.17198	0.6
149.02333	2.2
159.04407	0.6
164.01050	1.6
164.58337	0.5
171.08002	0.6
177.12714	0.6
179.14490	0.8
181.06444	1.0
183.08017	0.5
197.06047	1.7
199.07579	1.9
207.17374	0.5
208.05426	0.8
209.06004	1.4
210.06845	0.9
211.07677	1.8
212.04770	1.1
212.08351	1.1
225.05560	2.3
225.60936	0.5
226.06319	5.5
227.07103	1.9
228.07915	0.8
235.17024	1.0
240.04454	0.7
241.05209	0.8
242.05751	0.9
245.15518	1.5
253.04973	0.8
254.05826	3.1
255.06503	0.9
258.05231	0.8
271.13742	0.6
303.79477	0.6
315.10303	2.2
333.11160	4.4
348.15915	0.9
349.16071	1.2
351.14539	14.3
352.15137	0.6
361.10818	10.0
362.10889	0.7
379.13724	0.7
407.13303	3.0
408.12933	0.5
437.14279	0.8
439.15863	0.9
467.15009	100.0
468.15182	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	467.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72270	1.6
59.01250	7.2
72.99196	7.1
84.04399	2.8
84.95000	2.9
86.02355	8.6
108.08148	2.2
119.00076	5.1
120.01126	13.1
124.62719	2.4
126.90425	2.8
127.08650	15.9
128.03406	100.0
153.06651	3.5
159.04459	3.0
171.07648	37.9
171.08975	2.3
215.06755	3.7
231.04530	8.3
245.15538	4.8
249.05496	83.5
271.13269	3.5
333.13538	3.9
351.14511	34.1
367.46451	2.5
372.44022	2.6
407.13635	6.7
456.68494	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61433	0.1
62.68304	0.1
70.11575	0.1
78.95753	0.6
81.92537	0.1
96.96827	1.4
114.25977	0.1
126.86691	1.3
126.90376	100.0
126.94556	0.9
128.03363	0.1
129.63217	0.2
141.86258	0.2
258.90414	0.2
292.61740	0.2
381.60175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	9.6
59.01243	45.3
59.02405	1.3
66.30329	1.0
70.83910	1.1
70.99512	1.2
71.01240	60.6
71.02755	1.2
72.99165	46.6
73.02806	10.4
75.00731	46.9
75.85703	1.1
80.07512	1.3
83.01236	2.4
85.02806	55.1
87.00732	24.5
89.02303	16.0
95.01237	5.6
99.00749	7.2
101.02308	10.6
103.00227	14.4
108.05531	11.1
113.02310	46.6
115.00208	4.3
117.01784	10.3
123.03123	1.3
130.30280	1.1
131.03365	9.2
133.01308	4.1
133.05075	36.9
138.05460	3.6
153.59894	1.3
157.01308	3.6
175.02367	3.3
193.03468	32.3
193.05103	2.5
200.20680	1.4
219.07080	5.0
231.07076	33.0
231.09315	2.5
241.96844	1.3
243.11441	1.5
249.08176	4.5
267.54166	1.3
272.43835	1.5
275.06033	8.5
282.87589	1.4
293.07169	32.0
399.44769	1.6
425.11426	26.7
426.11398	1.9
469.10355	100.0
470.10721	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	469.1294
Annotation	Parvifolol A
Peak:m/z	Relative Intensity
50.62247	0.4
51.05314	0.3
57.45364	0.4
58.10863	0.4
59.01243	0.7
61.72953	0.8
61.73207	0.4
61.98690	3.6
67.01751	0.5
69.03275	0.4
70.09018	0.5
81.98034	0.6
87.78517	0.4
91.33334	0.4
93.03314	1.0
93.09550	0.4
95.01231	1.4
96.95840	0.5
102.05431	0.8
108.02023	6.8
123.00739	8.3
124.01542	4.4
136.01540	16.8
137.02283	1.1
139.32027	0.4
141.47801	0.4
151.00262	17.5
151.01515	0.9
152.01041	34.7
153.01819	3.2
191.18283	0.5
205.96654	0.5
211.03931	0.6
225.05573	1.6
227.07120	9.1
239.07027	0.7
242.05815	17.0
253.43881	0.4
274.04889	6.7
331.09961	0.6
333.00818	0.5
333.11310	6.8
381.79514	0.5
469.12936	100.0
470.13248	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59748	0.1
52.03436	0.2
53.22620	0.3
59.01220	0.3
65.00169	0.4
69.03316	0.5
69.18026	0.2
72.84934	0.2
79.01743	0.7
80.02535	2.0
91.01763	0.3
92.02520	0.5
93.03320	0.3
95.01237	2.2
106.04087	1.0
107.01234	2.4
107.04889	3.1
108.02032	8.9
109.02814	0.7
120.99108	0.3
121.02821	25.0
122.03123	0.3
123.00748	7.2
124.01532	16.9
125.02319	1.2
135.00735	0.6
136.01541	10.0
137.02335	1.6
139.00244	1.9
143.04868	0.3
149.99431	0.5
150.99110	0.4
151.00264	4.9
152.01044	11.9
153.01834	3.1
167.04950	0.2
169.06531	0.6
173.06105	0.4
180.05591	0.3
181.06593	0.3
184.05266	0.3
185.05946	1.1
195.04425	0.5
196.05197	1.4
197.06004	1.8
199.07477	0.3
200.18797	0.2
211.07628	1.1
212.04688	0.6
212.08582	0.2
213.05534	2.1
213.09189	0.6
214.06293	3.6
215.07083	1.8
224.04776	2.1
225.05522	5.6
226.06282	2.6
227.07108	0.5
228.04214	0.5
240.04230	0.5
241.05003	1.9
242.05823	18.3
243.06505	1.7
246.05414	1.1
247.11247	0.3
255.06679	0.3
256.03839	0.2
258.05374	1.7
262.04901	0.2
272.26447	0.2
274.04855	5.5
275.10678	0.4
291.10544	0.5
294.91498	0.2
304.10962	0.6
319.09784	1.7
320.10550	2.8
331.09808	0.4
332.10263	0.3
333.11337	13.9
334.11685	0.5
347.09146	1.0
348.10065	2.6
370.07162	0.2
416.18542	0.3
441.13376	1.9
469.12946	100.0
470.13226	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	469.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16648	0.2
59.01235	0.5
59.89960	0.2
60.15096	0.2
61.98706	0.5
62.62602	0.2
67.01748	0.6
76.09247	0.2
77.07191	0.2
79.01750	0.2
79.57098	0.3
87.27051	0.2
92.02510	0.6
93.03310	2.2
95.01243	1.5
105.59064	0.3
106.04109	0.4
107.04889	4.5
108.02034	5.9
113.17455	0.4
117.03380	0.3
119.04865	0.4
121.02823	12.0
122.03594	0.9
123.00749	7.5
123.01638	0.4
124.01546	2.2
125.02370	0.2
135.00743	0.3
136.01544	11.1
137.02309	0.5
143.04904	0.7
149.02307	0.6
151.00258	13.6
152.01045	19.4
153.01808	1.9
153.06960	0.3
158.03630	0.3
161.18640	0.2
167.04892	0.7
167.08511	0.2
169.06459	1.4
171.08025	0.2
180.05763	0.5
181.06465	0.7
183.04434	0.6
183.08118	0.3
184.05145	1.1
185.05945	0.7
195.04430	1.6
196.05281	0.6
197.05998	4.6
198.06694	0.4
200.99280	0.3
208.05217	0.6
209.06049	2.8
211.03940	1.0
211.07645	1.5
212.04765	1.2
213.05569	0.6
213.09091	0.6
214.06317	0.3
218.77390	0.3
222.06848	0.3
223.03926	1.3
224.04762	15.2
225.05516	5.6
226.06277	2.0
227.03632	0.3
227.07068	2.0
228.07751	0.3
237.05624	0.3
239.03503	0.7
240.04248	6.0
241.04985	1.7
242.05824	17.7
243.06122	0.7
257.09824	0.4
271.11374	0.3
273.09262	0.4
273.65814	0.2
274.04843	6.7
274.09723	0.4
285.09171	0.4
286.10211	0.3
287.10788	0.4
301.08755	0.5
302.09378	0.3
303.10370	0.3
312.07935	0.6
313.08716	0.4
314.09357	0.3
319.09613	0.3
320.10522	3.1
328.23029	0.2
329.08234	1.5
330.09091	2.2
331.09750	2.9
333.11301	0.9
347.09357	0.4
348.10132	1.3
362.07990	0.9
365.15491	0.4
381.14755	0.6
393.15063	0.5
409.14777	1.1
419.12988	0.7
437.13962	100.0
438.14252	4.3
469.12213	51.7
470.12634	3.2
486.73471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1296
Annotation	(+)-Ampelopsin A
Peak:m/z	Relative Intensity
51.93169	1.8
59.01231	2.8
61.98689	8.3
73.86853	2.3
75.86471	2.4
78.30672	2.4
93.03330	5.3
107.04891	3.9
107.07921	2.5
121.02827	23.4
139.61850	2.3
152.01044	19.3
153.01915	2.4
157.06613	3.1
185.05911	4.6
195.04475	3.2
197.06052	4.7
199.91714	2.6
210.06802	3.6
213.05626	3.9
224.04839	6.0
225.05594	6.4
239.65921	2.7
240.04276	3.9
347.29559	2.8
352.02240	3.0
353.15582	3.9
369.14969	4.4
381.14996	8.5
386.19733	3.0
398.00632	2.6
411.22934	2.8
423.12888	3.6
425.13980	100.0
426.14325	7.3
451.12079	18.8
469.12979	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	469.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46321	0.3
59.01243	1.0
61.98689	0.7
77.66853	0.4
79.22647	0.5
85.64614	0.4
93.03321	1.0
96.57685	0.5
96.95921	0.6
100.37152	0.4
107.04893	0.9
109.02821	1.4
117.46112	0.4
121.02816	8.9
123.00756	0.6
124.01498	0.7
131.81827	0.4
133.61079	0.4
136.01559	4.3
137.02324	4.1
138.03084	1.0
139.03888	0.6
149.02280	0.8
183.08008	0.6
185.05972	0.5
197.06062	1.5
198.06815	0.6
198.58865	0.5
199.07549	1.1
199.84811	0.5
209.05948	1.0
211.04036	0.7
213.05521	1.4
214.06084	0.5
224.04808	0.9
225.05527	7.0
226.06319	7.8
227.07111	8.7
239.07161	0.7
241.05043	2.3
242.05914	1.0
258.05341	1.3
280.34628	0.5
291.10016	0.6
316.10934	0.6
319.09589	0.9
331.09793	1.1
332.10635	2.3
347.09219	3.1
348.03461	0.6
348.10068	3.7
363.12335	1.4
364.09500	0.7
409.14011	0.5
436.63535	0.6
447.38943	0.5
453.13165	1.3
454.14273	7.2
469.16602	100.0
470.16931	4.4
483.34903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38336	0.8
59.01237	2.2
61.98686	1.7
65.25513	0.9
67.97394	1.0
72.36412	0.9
85.43573	1.0
96.95879	1.6
107.04882	10.5
108.37927	0.9
109.02792	1.9
121.02824	17.8
123.00710	1.2
124.59641	1.0
130.91267	1.1
136.01532	2.6
137.02315	3.6
143.51265	1.1
162.33798	1.0
196.17570	1.1
197.06128	1.9
199.07672	1.5
211.07584	3.3
213.09053	1.3
225.05577	5.3
226.06305	7.9
227.07211	6.5
227.48674	1.2
228.07893	2.5
239.07173	2.0
241.05003	2.4
242.05794	1.6
258.05276	1.6
317.11984	2.7
318.12671	1.5
332.10635	2.1
333.11185	1.4
345.55402	1.2
347.09192	2.3
348.10080	3.7
350.11670	1.4
425.17575	7.8
454.14139	6.0
469.16599	100.0
470.17029	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20955	0.9
53.80248	0.7
56.70489	0.4
59.01247	1.0
63.02265	1.0
68.99681	0.5
69.03336	0.7
73.72104	0.5
83.72115	0.5
86.12267	0.5
93.03304	0.9
95.01267	2.1
106.04121	1.1
107.04888	1.2
108.02048	1.7
111.00762	1.1
112.29390	0.5
115.38776	1.1
115.39538	0.9
121.02821	8.8
123.00749	48.2
124.01519	0.5
125.02289	0.9
135.00757	2.8
136.01553	1.3
137.02327	2.1
143.04962	1.2
145.02861	0.9
151.00264	9.3
151.63687	0.6
152.01033	1.9
158.14270	0.6
159.04381	0.9
169.06459	1.0
171.04425	0.8
172.05232	0.7
183.04482	0.6
185.06010	1.2
195.04402	0.6
197.06050	1.8
198.06697	0.7
200.04709	1.4
201.05534	1.2
212.04749	0.9
212.08524	0.6
213.05504	8.2
213.09019	0.8
214.06296	4.7
218.33369	0.5
223.06653	0.5
224.04846	0.9
225.05524	0.7
226.06345	0.7
227.07237	0.9
228.04285	0.8
228.07927	1.4
229.05116	2.5
240.04306	0.6
241.05061	8.2
242.05844	8.3
246.05499	1.3
274.04907	2.2
291.10413	0.7
319.09711	4.2
335.09259	1.4
347.09235	5.8
348.09280	0.8
352.74222	0.6
409.14557	0.6
425.13666	5.2
426.14853	1.0
453.13312	1.6
454.14243	100.0
455.14426	4.2
469.16592	70.0
470.16772	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57773	1.7
61.98698	4.7
62.87471	1.8
78.28362	2.1
87.69480	2.1
91.78902	2.0
107.04874	3.9
108.02036	6.4
121.02811	14.1
123.00751	10.2
124.01576	3.6
136.01563	10.1
147.09024	2.8
151.00252	16.6
152.01041	25.2
163.63277	3.0
197.06012	6.4
209.05986	3.9
224.04759	16.3
225.05470	6.8
227.07159	3.3
237.27242	2.4
240.04305	4.5
242.05876	18.0
274.04947	8.0
320.10672	3.9
329.07669	3.4
353.15323	2.7
374.93079	2.8
437.13962	100.0
438.14484	5.4
469.12253	78.3
470.12991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1658
Annotation	Marchantin E
Peak:m/z	Relative Intensity
52.22757	1.7
52.36702	2.1
59.01234	4.8
61.98674	2.8
80.57640	2.5
80.72765	2.2
89.12574	2.0
98.03065	2.1
107.04907	10.6
111.84357	2.3
116.54670	2.5
119.04930	8.9
121.02806	5.6
122.03595	3.2
129.25249	2.3
136.01530	2.3
147.48599	2.1
150.03108	15.6
161.89149	2.1
163.03955	4.2
182.02145	11.7
197.06009	56.0
198.06783	11.4
209.06030	2.9
211.07596	7.1
224.04823	3.5
225.05501	2.8
230.05864	10.0
256.07443	11.0
282.47037	2.6
290.63565	2.7
304.11069	18.9
305.11871	54.9
306.11920	2.6
315.40366	3.7
316.24426	2.5
317.11948	3.3
317.42703	2.4
425.17740	5.8
437.13934	52.3
469.16724	100.0
470.16794	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	470.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42073	0.1
61.97241	0.9
61.98693	100.0
61.99955	2.0
62.98396	0.1
69.20650	0.1
96.95878	0.3
120.78021	0.1
121.02838	0.1
122.03654	0.1
123.04376	1.3
142.80147	0.1
148.70314	0.1
174.96953	0.1
182.73744	0.1
227.08821	0.1
245.08173	1.5
269.04639	0.2
306.36618	0.2
407.13348	0.6
447.91553	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	470.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87439	0.6
54.17374	0.7
56.58471	0.6
57.03320	21.6
59.01244	31.0
61.97405	1.4
61.98695	100.0
63.72120	0.7
71.01241	3.8
73.02808	1.6
80.31707	0.7
83.01232	0.9
85.02833	2.1
89.02322	3.1
90.02475	0.6
96.95890	2.9
99.03733	1.7
99.04380	33.0
101.02309	12.1
113.02319	2.6
125.02316	11.8
128.03436	1.0
128.26894	0.8
143.02368	0.7
143.03433	2.3
161.04507	2.7
175.33635	0.9
202.30812	0.7
243.06648	1.1
263.11331	7.9
305.12448	7.1
310.76282	0.9
345.15689	2.4
363.16534	1.0
390.37238	0.9
407.15570	15.5
407.20532	1.2
408.16940	0.8
434.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1448
Annotation	Marchantin F
Peak:m/z	Relative Intensity
52.60438	0.6
59.01242	1.0
61.98688	0.6
67.01720	0.6
68.68262	0.4
77.74912	0.4
82.45626	0.5
93.03305	4.2
107.04890	3.6
108.02026	1.1
109.02805	1.4
109.69844	0.6
120.10788	0.5
121.02818	18.5
122.71713	0.5
124.01459	0.7
135.04358	0.7
136.01552	1.8
137.02301	1.4
141.84395	0.5
143.04922	0.9
157.06526	1.2
164.01068	1.1
169.06432	2.8
171.04381	0.5
181.06519	2.1
183.04439	0.9
184.05251	2.7
185.05966	2.0
195.04451	0.8
196.05298	1.0
197.05984	6.5
198.06732	0.5
199.03897	0.9
209.05980	1.0
211.03955	2.4
211.07561	0.6
212.04732	4.6
212.08275	0.6
213.05547	4.5
213.09114	0.8
215.07141	0.9
224.04755	2.1
225.05533	11.6
226.06323	1.7
227.03523	1.5
227.07068	1.3
228.04236	0.8
229.04944	0.9
239.03555	1.1
240.04250	3.9
244.03619	0.6
256.03888	0.6
274.10120	1.4
277.08676	0.7
289.08963	0.9
290.09604	1.1
315.10233	0.8
316.10162	0.5
317.08078	1.6
318.09030	2.6
333.11246	4.4
345.11505	0.9
346.08514	0.6
350.08023	1.2
369.15176	0.8
381.15039	0.9
407.13031	0.6
407.43039	0.6
425.13992	23.5
426.14352	0.6
435.12613	0.6
453.13470	100.0
454.13779	3.8
471.14487	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	471.1451
Annotation	Tricuspidatol A
Peak:m/z	Relative Intensity
55.82252	0.5
55.97726	0.5
59.01225	0.8
60.64719	0.5
67.16204	0.5
68.25540	0.5
69.92527	0.5
77.10564	0.5
79.01751	0.8
80.02519	0.9
95.01225	1.7
107.01249	1.6
107.04881	1.5
108.02038	6.3
116.44501	0.6
121.02813	3.1
123.00740	9.5
123.04398	2.0
124.01537	13.0
136.01544	7.4
139.00253	1.5
144.21536	0.6
149.99501	0.7
151.00269	6.9
152.01027	10.0
153.01854	2.9
185.05989	0.9
196.05193	1.2
211.07629	1.1
213.05508	2.0
214.06284	4.2
215.07098	1.3
224.04811	1.0
225.05518	4.6
228.07921	1.4
241.05055	2.3
242.05818	25.5
242.08281	1.3
243.06479	1.3
246.05272	1.4
260.06735	1.5
274.04819	8.0
304.10925	1.0
320.10565	5.0
335.12842	4.5
348.09988	5.2
424.19724	0.6
443.15045	1.4
471.14490	100.0
472.15042	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	471.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.3
59.01240	1.8
59.04287	0.9
61.98689	3.8
62.96133	0.9
63.97813	0.9
69.27706	0.9
74.02309	1.3
82.02856	1.3
84.04406	2.6
86.02330	11.7
93.03332	1.6
96.95869	6.6
99.04440	1.1
101.00531	10.6
102.98486	2.2
109.41162	1.0
110.22513	1.0
110.42951	1.0
116.41557	1.0
120.01104	13.1
122.03561	1.2
123.04481	1.1
125.78286	1.0
127.04998	3.5
127.08645	14.4
128.03407	100.0
128.07034	1.4
153.01808	1.3
153.06621	5.4
161.09584	1.1
165.05476	4.6
171.07658	38.1
179.04475	1.7
179.10544	2.3
197.05553	1.2
202.94592	1.2
206.09431	4.1
215.06665	6.7
221.11752	11.3
231.04442	9.1
242.20461	1.1
249.05496	94.4
250.05785	1.4
255.10553	5.4
273.04141	9.5
420.23413	1.4
440.29709	1.2
441.65717	1.1
471.18042	4.2
472.18018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29815	0.5
59.01233	0.7
61.98693	1.1
67.78661	0.6
92.04397	0.5
101.02276	0.8
116.65292	0.6
137.08533	0.7
140.25456	0.6
167.43718	0.6
193.07104	1.2
232.04401	0.6
275.19800	0.7
277.21738	100.0
278.22113	4.4
435.14087	1.4
447.37540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99160	0.4
53.58446	0.5
59.01243	44.6
59.02390	0.7
63.37833	0.5
65.67106	0.5
65.96947	0.5
70.99505	0.5
71.01241	30.2
71.02742	0.7
72.00758	0.6
72.99164	1.0
73.02794	0.8
73.55756	0.6
83.01214	1.3
85.02807	5.5
87.00720	1.7
88.03894	1.5
89.02298	56.7
89.04435	0.9
93.03317	0.6
95.01251	1.4
96.95853	0.8
101.02307	18.0
111.01971	0.7
113.01551	1.0
113.02309	14.6
113.03440	2.0
114.01804	1.8
114.03502	0.6
119.03362	17.6
121.02812	0.8
128.03412	6.5
128.65126	0.5
129.03761	0.8
129.62108	0.6
130.04999	1.8
130.08614	46.5
131.03374	4.1
131.04491	5.5
131.08968	1.0
143.03387	4.1
143.04362	1.0
145.06055	3.4
146.04520	0.8
149.04417	1.7
161.04474	5.7
172.98773	1.0
179.05533	25.4
199.02881	0.8
258.84741	0.6
272.08890	0.7
341.10901	100.0
342.10974	3.0
350.38693	0.6
372.07288	1.1
375.41217	0.7
396.74908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62794	0.2
67.64017	0.2
68.99648	0.3
79.95592	1.7
80.04913	0.6
82.95280	0.2
91.67787	0.2
96.93050	0.8
96.95868	100.0
96.98346	1.5
97.95808	0.3
120.04405	1.2
128.03381	0.4
132.04416	3.8
150.05495	1.4
168.06537	1.1
188.79562	0.2
212.08450	0.2
271.70184	0.2
313.11917	1.9
321.05579	0.8
331.12979	2.3
351.06760	0.6
375.11978	1.1
395.05725	0.5
413.06552	1.2
442.06287	0.2
469.66516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	49.2
61.98689	2.5
68.83398	0.8
82.85430	1.0
86.46497	1.0
89.21761	1.1
93.03339	1.2
107.04888	2.5
121.02838	8.1
133.06421	1.3
136.01532	1.5
147.47137	1.4
151.06218	1.8
152.07082	3.5
184.05254	1.7
197.06027	2.3
209.06071	1.3
217.00328	3.1
217.48283	1.3
224.04738	10.4
225.05489	3.4
227.07150	1.2
240.04335	4.6
241.05034	2.3
261.45135	1.2
303.32001	1.3
321.24103	1.5
330.09094	1.8
331.09836	2.3
437.13943	100.0
438.14407	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	473.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27829	0.8
59.01233	1.4
61.14923	1.0
61.98693	1.4
67.45625	0.9
69.14880	0.7
70.02831	5.3
71.01244	2.3
71.02360	1.9
72.00765	2.4
72.99162	1.8
88.03897	1.5
89.02277	1.2
95.02372	6.6
103.09293	0.9
111.01856	2.3
113.03430	31.6
114.01833	26.0
114.02581	1.9
115.00246	3.6
131.04501	100.0
132.02892	9.9
132.04903	1.1
133.01306	6.7
153.97913	1.1
165.03976	1.5
168.01454	1.0
179.05573	1.1
196.61656	1.4
228.92966	1.0
241.02293	1.0
310.97156	1.0
341.10907	2.1
391.16724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37268	0.2
52.78152	0.2
58.02840	0.8
59.01247	1.2
70.02467	0.6
70.02837	7.2
71.01237	2.2
71.02355	2.3
72.00756	2.7
73.95978	0.3
81.67294	0.3
83.70790	0.3
85.02795	0.3
88.03899	8.1
89.02307	1.3
94.99744	0.3
95.02367	6.1
111.01864	2.4
113.03432	33.1
113.98560	0.3
114.01833	26.8
115.00220	3.1
119.03330	0.5
128.03450	0.3
131.00359	1.0
131.04498	100.0
131.98804	0.4
132.02902	29.4
132.04872	1.0
138.03354	0.3
161.04465	0.4
179.05511	0.7
228.50729	0.3
260.58249	0.3
341.11044	2.2
395.88297	0.3
483.19635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08898	0.6
59.01242	23.9
60.11267	0.7
65.23632	1.4
65.23917	0.8
65.95692	0.5
69.36575	0.6
69.81762	0.7
71.01230	4.1
73.02791	2.5
78.95757	1.2
80.96361	0.7
85.02808	3.4
87.00726	1.8
87.04369	0.9
89.02299	1.2
93.03315	6.7
96.95872	2.2
96.96811	1.2
100.18567	0.6
100.64557	0.6
101.02297	2.4
104.42336	0.6
113.02296	1.9
115.03846	1.0
121.06453	8.3
128.03493	1.0
131.03371	2.1
143.03377	1.6
165.05469	100.0
165.97554	0.7
166.05840	1.4
188.87968	0.7
205.07106	1.0
207.06584	1.3
234.26085	0.8
309.09421	0.8
327.10800	3.3
336.18448	0.9
473.16660	90.7
474.16986	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52984	3.8
54.52448	4.1
55.41008	3.6
57.03316	95.1
59.00968	6.9
59.01241	81.2
66.12541	4.9
69.85906	4.0
71.01240	23.3
73.02811	7.8
82.19886	3.4
83.01275	3.7
84.88844	4.4
85.02789	7.0
91.72729	9.4
99.04379	100.0
101.02302	42.3
113.02358	9.0
125.02291	32.9
146.04480	5.9
161.04468	16.1
163.73938	4.7
239.12888	16.9
314.56131	5.7
329.15985	21.2
371.17148	5.7
470.78284	5.3
473.20422	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	100.0
59.01242	93.1
59.01465	1.6
59.01545	2.0
63.48638	1.8
66.21024	2.2
71.01241	33.4
73.02810	10.7
75.38266	2.2
82.50864	2.0
83.01254	5.1
85.02798	8.9
89.02295	30.5
91.72762	5.1
95.01241	2.9
96.95856	4.1
99.04378	97.0
101.02303	50.2
113.02299	22.0
116.73873	2.6
119.03338	11.9
123.04381	5.6
125.02317	38.4
143.03343	6.5
149.04506	2.9
161.04469	35.3
179.05502	11.7
214.25237	2.2
217.00316	3.3
232.07936	2.9
263.07800	13.3
323.09885	8.9
329.16080	21.2
473.20114	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51608	0.8
55.84308	0.8
57.02048	1.1
57.02278	1.6
57.03317	95.9
57.04471	2.0
58.99895	1.0
59.01242	96.3
59.02442	1.9
69.03332	2.1
71.01241	34.3
73.02805	44.5
79.05388	2.3
81.03294	5.8
83.01237	11.2
85.02810	8.5
86.34309	1.0
87.00724	1.8
89.02296	27.6
89.91136	0.9
95.01249	1.7
95.04849	1.5
97.02789	1.4
97.06454	2.9
99.00686	1.5
99.04376	100.0
99.06989	1.3
101.02303	71.4
102.02612	1.4
108.02029	1.3
109.06415	1.3
110.04842	1.1
113.02307	27.4
113.05952	4.6
119.03362	14.1
123.04388	29.5
123.05270	1.8
125.02314	48.4
126.02656	1.4
127.05373	1.2
131.03381	5.6
141.05415	5.2
143.03375	11.7
147.02744	1.3
149.04463	8.4
153.05453	5.9
161.04448	45.6
179.05525	15.3
183.06589	2.2
192.10979	1.1
203.05609	3.3
221.06688	3.4
233.06659	2.5
263.07751	13.5
323.09778	11.0
360.88760	1.3
473.20447	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46717	0.5
57.03316	100.0
57.04457	2.1
58.03658	0.8
58.99887	1.0
59.01241	92.6
59.02444	1.7
71.01237	20.9
72.99158	0.8
73.02799	5.9
81.03314	1.5
83.01244	4.7
83.06540	0.6
85.02802	8.1
87.00700	0.9
89.02296	13.4
94.77132	0.5
95.01241	2.0
96.95850	1.3
97.02824	0.9
99.00737	2.6
99.04375	95.3
99.06969	1.2
100.04710	1.5
101.02303	40.9
101.04990	0.6
103.60938	0.7
113.02302	10.9
119.03365	6.0
125.02315	31.6
126.02627	0.6
128.03444	0.7
137.09572	0.7
143.03404	3.8
143.33400	0.6
159.02898	1.3
159.55316	0.5
161.04449	8.3
167.10686	6.0
171.07747	0.7
174.43076	0.5
179.05507	3.2
191.03384	1.3
217.00215	0.6
329.16068	18.2
330.16605	1.3
364.92676	0.6
371.17126	3.9
411.20166	1.7
473.20285	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02155	0.9
57.03317	73.1
57.43446	0.4
58.00465	1.2
58.03649	0.6
59.00005	1.6
59.01242	96.5
59.02321	1.3
62.68890	0.5
69.03313	2.3
70.99636	0.7
71.01239	37.1
72.99178	0.8
73.01115	0.9
73.02805	52.4
75.00738	1.3
76.81418	0.4
79.05385	3.4
81.03316	5.5
83.01240	12.5
85.02807	7.8
87.00748	1.4
89.02297	24.2
95.01246	3.0
95.04861	1.7
97.02804	1.0
97.06451	2.9
99.01744	1.1
99.04375	100.0
100.04719	0.8
100.99568	1.0
101.02303	73.0
108.02032	1.3
109.06441	2.0
111.04386	0.7
113.02306	31.0
113.05922	6.4
119.03375	13.0
123.00787	0.5
123.04389	31.4
125.02314	60.6
131.03369	6.5
136.50391	0.5
141.05452	5.3
143.03384	10.0
147.02908	0.9
149.04439	9.2
150.85309	0.4
153.05466	5.8
155.03406	1.5
161.04451	23.3
171.06555	0.8
179.05530	5.9
183.06474	1.2
196.65663	0.5
201.07671	0.6
203.05487	1.7
221.06645	4.8
261.09677	0.8
263.07483	0.7
276.82739	0.5
293.60907	0.5
323.09610	0.8
429.21255	3.1
473.20273	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88286	0.9
57.03318	62.9
57.04494	1.1
59.01242	72.7
66.27471	1.2
69.03318	1.5
71.01240	34.2
73.02805	14.2
75.00732	1.6
81.03314	4.6
83.01241	3.6
85.02811	18.3
87.00712	1.7
89.02296	28.9
95.01248	6.2
96.95853	1.7
99.04376	100.0
99.07104	1.3
100.04716	2.3
101.02303	43.9
113.02303	47.7
113.03099	2.3
119.03376	15.1
123.04375	5.9
123.32275	1.3
125.02312	63.4
128.03409	2.8
131.03360	5.3
141.05447	3.3
141.86719	1.2
143.03354	8.8
147.02873	2.1
149.04433	6.8
153.05426	3.9
161.04459	14.5
165.09067	2.1
167.07030	4.4
179.05528	8.8
221.06648	3.1
275.18289	1.4
317.63110	1.5
351.11530	1.3
429.21140	3.1
473.20349	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21522	0.5
59.00042	2.0
59.01244	100.0
61.98692	1.4
63.58504	0.7
63.58815	0.9
64.99136	0.5
71.77592	0.5
78.78773	0.6
78.95777	2.1
80.18938	0.7
85.02803	6.2
97.02834	0.7
113.28801	0.7
119.03574	0.6
120.25470	0.6
133.06505	2.0
137.75623	0.7
145.04921	3.3
151.06273	1.3
151.75221	0.6
152.07091	2.6
175.07594	1.1
217.00282	1.6
279.12610	2.4
280.17310	1.4
323.11230	0.6
371.39658	0.7
384.78854	0.7
413.19772	2.9
433.74396	0.8
448.67377	0.7
473.24515	4.1
474.26276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99937	1.4
59.01243	100.0
59.02396	1.8
61.98699	1.7
63.57841	0.9
78.95758	0.6
82.03661	0.5
91.44503	0.6
97.02850	0.5
121.02863	0.7
133.06429	0.9
150.05510	1.0
151.06267	1.4
152.07080	3.9
153.07437	0.7
154.86679	0.6
217.00188	0.8
279.12476	1.1
321.24442	5.1
322.24673	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66119	0.5
58.19500	0.6
78.95763	1.4
95.38600	0.6
124.05465	0.6
148.19829	0.7
189.12756	1.6
196.29036	0.8
203.87636	0.6
205.15916	30.4
218.23216	0.7
235.09016	0.8
240.57852	0.6
248.32976	0.7
267.11560	1.5
280.99509	0.7
335.08917	0.9
443.23773	1.2
457.25168	13.6
458.25946	1.2
473.28281	100.0
474.28555	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37760	0.4
52.37975	0.4
55.01745	0.6
57.03318	4.4
58.30363	0.3
59.01242	15.5
71.01226	0.9
73.02803	3.0
81.03294	0.6
81.53415	1.3
81.53926	0.9
83.01240	19.5
83.04894	0.6
85.02827	0.5
89.02298	1.6
91.03861	6.4
99.00742	0.9
99.04369	0.6
99.92417	0.8
101.02307	7.6
104.63757	0.5
115.91925	0.6
116.92707	0.4
119.03381	0.7
134.04575	0.4
157.04962	7.7
168.49866	0.6
175.06035	31.6
193.07092	5.7
217.07082	1.0
218.94696	0.4
237.22250	0.6
255.23293	100.0
256.23718	2.8
316.32251	0.5
413.29132	6.8
414.29926	0.5
431.30154	83.5
432.30487	4.3
473.31357	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	474.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89947	0.3
56.33997	0.3
59.01237	0.7
59.45395	0.3
59.56379	0.2
61.93066	0.2
63.10849	0.2
64.94765	0.3
70.02834	2.0
71.01237	5.7
71.02355	0.6
71.03161	0.3
72.00755	1.1
72.99168	0.6
78.95760	0.9
82.86670	0.3
85.15960	0.3
86.77255	0.3
88.03894	32.6
88.06116	0.5
88.63738	0.3
89.02296	0.7
93.58276	0.3
95.02354	1.1
111.01863	0.5
113.03429	6.3
114.01836	8.5
114.03757	1.1
115.00233	15.2
115.02163	1.2
131.04497	21.5
132.02899	100.0
132.04868	4.0
132.07022	1.1
133.01302	13.3
133.02332	0.4
133.03235	0.9
133.04829	0.5
179.05531	0.4
274.86493	0.3
287.85938	0.3
341.11005	0.4
410.65961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41375	0.3
50.55914	0.2
51.04435	0.3
51.82685	0.3
57.86062	0.3
59.01244	1.7
60.30239	0.3
61.41395	0.3
61.60720	0.3
71.72391	0.3
75.30431	0.3
78.95760	15.8
86.40607	0.3
96.96837	0.5
106.12908	0.3
109.09216	0.3
111.49474	0.2
118.53300	0.3
121.02835	1.4
131.41550	0.4
136.01538	0.4
140.01071	2.7
152.99457	1.7
166.07550	0.3
171.00508	2.1
183.77008	0.3
196.03726	1.8
214.04832	4.5
226.06261	1.0
233.22552	0.5
256.53955	0.3
259.20798	0.5
267.49442	0.3
275.20105	0.4
277.21735	100.0
278.22015	3.5
281.79834	0.3
333.11386	0.7
439.15533	8.5
441.14667	0.3
474.26297	13.1
475.26657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73304	0.5
51.74801	0.5
51.96759	0.5
53.93971	0.5
59.01241	3.7
61.98684	1.7
71.01264	0.6
78.95760	22.3
95.66858	0.6
122.00016	1.0
125.76258	0.6
127.27208	0.6
138.70427	0.6
140.01068	5.5
152.99457	1.6
153.04811	0.7
163.58084	0.6
196.03714	12.8
203.64420	0.8
214.04877	3.1
246.95416	0.7
277.21729	100.0
278.21976	2.6
286.22095	0.7
308.91290	0.6
333.11472	1.0
439.15561	7.6
474.26236	27.8
475.26718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0896
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
52.90089	0.2
57.03317	4.3
58.03659	0.2
59.01241	12.7
59.02392	0.2
59.78234	0.2
61.98656	0.2
63.02259	0.7
65.00187	0.7
66.18298	0.2
67.01731	0.3
68.99668	0.6
69.03281	0.2
71.01236	10.2
72.84849	0.6
72.99164	1.8
73.02803	1.8
74.03127	0.2
75.00729	4.3
79.93128	0.2
81.03304	0.2
83.01237	1.2
84.02030	0.5
85.02805	18.6
85.04818	0.3
87.00726	3.7
89.01005	0.2
89.02297	2.6
93.21821	0.2
95.01240	4.0
96.95885	0.3
97.63307	0.2
99.00737	7.1
99.04370	2.7
100.04716	0.8
101.02304	1.8
102.02698	0.2
103.00230	2.9
106.59406	0.2
107.01215	1.3
108.02081	0.2
109.99976	0.5
111.00764	0.4
113.02304	31.5
113.05374	0.4
114.02653	0.4
115.00233	1.7
115.70139	0.2
117.01804	2.5
119.03358	0.4
123.04405	0.3
125.02286	1.3
126.02655	0.3
129.01793	1.8
129.48317	0.2
132.02061	0.3
133.02872	0.4
134.03612	0.7
136.98666	0.5
137.99475	0.2
139.00226	0.2
141.05519	0.2
143.03355	0.3
148.01625	0.2
149.04425	0.2
149.99469	0.3
151.00243	1.8
157.01312	0.7
161.04518	0.3
163.00253	2.3
164.01038	0.4
165.98933	0.6
166.27309	0.3
169.01349	0.5
175.02390	7.5
182.15952	0.2
183.04416	0.5
186.92715	0.2
187.03844	0.3
188.04735	0.3
195.04462	0.3
199.03896	0.3
200.04697	0.9
211.03905	1.3
212.04732	0.7
214.02669	0.4
216.04483	0.3
227.03432	1.4
228.04208	0.7
239.03491	0.3
240.04370	0.3
255.02974	1.7
256.03778	6.4
257.03897	0.2
271.02405	0.2
283.02374	1.2
284.03265	100.0
284.15546	1.0
285.03680	3.7
299.05609	90.4
299.18747	0.8
300.05927	2.5
341.06769	0.5
371.07843	0.2
451.09628	0.2
475.08777	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	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27803	0.2
59.01258	0.4
71.01239	13.9
72.99164	3.2
79.95595	0.4
87.00738	0.6
88.03895	1.5
89.02299	1.7
97.83543	0.3
98.52032	0.3
115.00238	42.3
115.03549	0.5
116.00540	0.4
131.04478	0.7
132.02904	3.8
133.01305	100.0
134.01636	1.2
187.28598	0.3
189.04628	0.3
194.04823	2.8
366.56982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59827	1.0
58.40715	1.2
61.98693	3.1
69.21951	1.3
69.69302	1.2
77.43996	1.2
82.88329	1.4
106.04092	1.3
107.76208	1.3
121.02828	6.2
122.91024	1.5
126.12968	1.4
132.97357	1.5
136.01523	3.6
175.61510	1.6
176.17023	1.4
182.07362	1.5
197.05968	2.5
210.06787	2.0
224.04771	2.7
225.05508	4.3
226.06342	3.0
227.06944	1.7
233.67699	1.5
281.00250	1.4
323.95145	1.7
331.09738	4.7
353.07849	2.0
359.53839	1.6
437.14142	3.7
439.15445	18.7
440.15991	2.0
459.12503	4.6
460.12958	34.9
461.13062	2.0
475.15295	100.0
476.15579	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02219	1.5
57.03317	89.3
57.04529	1.1
58.03654	1.1
59.00086	1.7
59.01242	100.0
59.02520	1.1
60.61244	0.7
62.40544	0.6
64.82302	0.6
65.41226	0.7
65.91072	0.7
71.01241	17.8
72.99197	0.7
73.02808	3.5
73.92451	0.7
81.03320	1.1
83.01243	2.7
85.02799	6.4
89.02290	17.0
95.01271	1.2
99.00765	1.3
99.01858	1.5
99.04377	94.0
100.04700	1.0
100.99693	0.8
101.02303	37.2
102.33360	0.9
108.16953	0.8
109.02914	0.9
113.02324	8.9
119.03379	8.5
123.63213	0.8
125.02312	33.9
126.02637	0.7
128.03391	1.3
131.03348	1.0
140.13641	0.8
143.03392	5.1
161.04462	3.5
164.20702	0.8
177.71404	0.8
179.05499	2.5
226.05338	0.7
258.78729	0.8
269.04660	1.0
271.02435	0.8
299.01993	2.5
313.16641	1.0
331.14047	1.0
331.17609	21.2
372.24902	1.0
373.18756	9.3
413.21652	2.1
431.22198	0.8
475.21854	14.5
476.22202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99725	0.6
55.21662	0.7
57.02151	1.2
57.03318	80.8
58.93866	0.6
59.00018	1.7
59.01243	100.0
59.02342	1.6
59.43409	0.6
61.71999	0.6
71.01237	16.6
72.99148	1.0
73.02801	4.0
81.03316	1.3
83.01247	3.5
85.02807	6.9
87.00712	1.2
88.89317	0.5
89.02296	21.2
91.73402	1.1
94.23924	0.7
94.77126	0.7
95.01231	0.9
99.04378	90.9
100.04716	0.9
101.02300	36.6
103.24086	0.7
109.22652	0.7
113.02310	9.8
119.03382	7.9
125.02315	33.9
131.03378	1.7
141.01848	0.6
143.03410	5.9
161.04446	4.4
171.04353	1.4
178.99722	1.1
179.05511	2.7
199.03906	1.1
243.02948	1.1
271.02444	2.0
278.22708	0.7
279.46066	0.8
299.01968	5.1
331.13925	1.2
331.17661	19.5
373.18747	5.1
413.21759	2.0
439.12405	1.2
475.16418	1.0
475.21930	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61787	3.4
54.39029	3.4
56.68147	3.1
56.69149	3.1
57.03318	94.7
59.01244	83.7
61.98702	4.9
71.01247	25.0
71.21606	3.9
73.02804	36.2
82.95282	23.0
83.01250	9.3
84.94984	8.9
85.02785	7.1
89.02309	20.5
96.95889	11.6
99.04377	100.0
101.02308	59.5
107.04905	8.5
107.34138	4.2
109.45721	3.9
113.02337	22.1
113.05951	5.7
119.03391	5.2
123.04411	16.2
125.02328	40.0
141.05583	5.1
143.03397	10.8
146.08122	4.8
149.04463	10.1
161.04463	21.7
179.05588	6.8
187.44287	4.8
191.63890	4.6
242.08212	6.7
243.08998	27.1
277.12244	10.7
299.01831	9.1
301.31485	6.1
315.13248	5.0
318.89719	5.0
327.89871	5.1
343.10388	11.3
415.15982	8.5
444.29410	5.1
475.22025	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57675	1.5
57.03318	86.8
59.01243	88.4
61.98689	9.7
66.83067	1.6
68.13152	1.4
71.01238	19.4
71.01591	1.9
73.02813	9.0
75.00777	1.9
75.21649	1.7
80.12828	1.7
83.01251	5.3
85.02814	11.5
88.26368	1.8
89.02296	6.3
95.01254	3.4
99.00749	2.6
99.04377	100.0
101.02305	43.6
112.20984	2.0
113.02307	12.0
113.05185	1.7
125.02315	29.1
142.64142	1.8
143.03363	2.2
148.91820	2.2
159.02895	3.8
161.04404	11.2
169.12350	2.5
208.01720	2.2
284.03336	3.5
331.17618	30.9
373.18704	6.3
475.22018	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	476.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50638	0.8
52.54179	0.8
59.01252	0.9
66.83241	0.7
72.97407	1.2
79.63810	0.8
81.03116	0.8
86.02335	3.5
90.95922	1.1
90.98449	100.0
96.95924	1.0
104.46705	0.9
106.80820	0.8
116.97296	1.0
178.01709	20.4
178.46193	1.1
192.05803	0.9
266.02756	1.0
297.24362	2.1
299.67920	1.0
301.00589	1.1
311.25952	2.2
327.23651	12.7
345.24606	4.7
389.23782	9.7
476.26965	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
56.00100	0.3
59.01241	0.8
61.98691	1.0
68.20186	0.3
78.95758	19.2
96.50909	0.4
96.89988	0.4
121.99977	0.9
128.17352	0.4
140.01057	6.3
152.99443	1.9
161.07204	0.4
165.69014	0.5
166.99910	0.4
196.03722	9.9
214.04829	2.3
219.08127	0.4
260.75809	0.4
270.54147	0.4
272.42068	0.4
279.10880	0.8
279.23297	100.0
280.23645	4.1
360.11545	0.5
439.15909	0.6
440.15799	1.5
476.27792	24.7
477.28110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.9
60.36567	0.4
61.98684	0.4
78.95759	9.0
80.61477	0.4
140.01076	2.5
152.99445	1.2
171.00493	0.6
186.68146	0.5
196.03763	1.2
214.04814	2.7
279.23297	100.0
280.23618	4.1
439.15298	0.6
440.15851	2.6
476.27792	10.9
477.28027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0675
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.30794	0.2
57.03316	0.6
58.34454	0.2
58.34787	0.2
59.01244	1.4
61.88036	0.2
65.00193	0.7
65.72394	0.2
67.01750	0.2
67.41965	0.2
71.01247	0.9
72.99171	0.4
73.02808	0.3
75.00734	0.3
84.03214	0.2
85.02816	1.1
87.00731	0.5
89.02348	0.4
91.72673	0.4
95.01266	0.8
99.00739	0.6
109.02821	1.1
109.99928	0.3
111.00750	1.0
113.02338	1.1
117.01897	0.3
120.99248	0.2
123.00758	0.6
124.98718	0.4
133.02829	7.9
135.04396	2.9
136.01602	0.3
136.98755	1.1
137.02321	3.2
139.00258	3.2
144.49823	0.2
154.60587	0.2
159.04414	0.3
161.02269	0.3
163.00244	0.5
164.01044	0.3
164.98196	1.2
165.01845	2.6
165.98932	0.4
166.99744	2.2
175.02402	0.8
175.03932	0.6
183.04391	0.4
185.05919	0.4
187.03944	0.6
189.01936	0.3
190.99902	0.5
192.00586	0.9
199.03979	0.4
201.01874	0.5
201.05569	0.7
203.03471	0.3
211.03920	0.9
213.05540	0.5
214.02686	0.3
215.03503	0.6
216.59315	0.2
217.05135	0.4
227.03499	0.9
229.05048	1.1
231.02873	0.4
239.03539	0.7
241.01280	0.4
245.04639	0.7
255.02989	2.5
257.04535	0.8
261.05823	0.4
273.04010	0.5
283.02533	0.8
284.03317	0.7
299.02136	0.4
300.02762	1.4
301.03543	100.0
302.03799	3.2
331.05038	0.2
333.15546	0.9
359.39578	0.2
359.44040	0.2
371.04089	0.4
372.21100	0.2
477.06720	13.7
478.06958	0.7
480.78574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
58.06834	0.6
59.01253	3.1
67.76559	0.7
71.01256	1.5
76.53262	0.7
85.02830	1.7
95.01301	0.9
96.52470	0.7
96.95902	1.5
99.00776	0.9
99.04414	1.3
101.02335	1.3
109.02832	1.0
109.30569	0.9
111.00776	0.9
113.02296	1.6
118.98006	0.9
119.64268	0.6
124.88731	0.8
128.03465	2.7
131.24757	0.8
133.02831	7.3
135.04413	3.9
136.98747	1.1
137.02373	3.4
138.86456	0.7
139.00307	2.5
145.76851	0.7
146.27113	0.8
165.01857	1.9
166.99825	2.2
175.03856	1.0
183.04520	0.9
185.06310	0.8
192.00610	1.0
229.05107	1.5
249.05589	1.0
255.03137	2.4
257.04572	1.2
283.02493	1.7
291.91611	1.1
301.03555	100.0
302.04083	3.0
368.64325	0.9
477.06735	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01247	3.7
63.02249	1.0
65.00183	1.6
68.99673	0.5
69.43333	0.6
71.01244	2.9
72.95439	0.5
72.99168	0.5
73.02811	0.4
75.00711	1.1
82.48707	0.4
83.01218	1.5
84.57967	0.4
85.02432	0.4
85.02813	4.1
87.00730	1.1
89.02293	0.5
89.29651	0.5
90.26351	0.4
95.01237	1.1
96.95883	1.1
99.00733	1.5
99.04330	0.7
100.03819	0.5
101.02306	0.6
103.00221	0.7
106.90797	0.4
107.01249	4.0
109.02805	1.1
111.00742	0.9
113.02302	7.1
115.00128	0.6
118.97784	0.4
119.04845	0.6
121.02807	1.3
125.02311	2.2
133.02838	2.8
135.04430	1.5
137.02301	1.3
139.00247	1.6
143.04893	1.3
145.06226	0.5
147.04370	1.7
149.02341	5.8
151.00269	6.5
157.06453	0.9
159.04442	0.9
163.00301	0.5
164.98225	0.5
165.01814	1.3
166.99780	0.9
171.04427	0.7
175.02377	1.2
177.01857	0.8
183.04472	1.2
185.06004	1.2
187.03941	1.1
189.05534	1.4
191.03429	1.3
193.01300	1.3
195.61069	0.5
198.78273	0.5
201.05458	1.4
211.03954	1.1
213.05501	1.4
215.03421	1.9
227.03453	3.1
229.04996	4.7
233.04541	0.7
239.03468	0.7
240.04601	0.7
243.02943	0.6
252.34164	0.5
255.02971	27.4
256.03589	0.9
257.04559	28.0
258.04761	0.7
259.02454	0.6
273.03989	1.6
283.02487	27.3
284.03281	2.4
285.04135	1.0
300.02667	1.9
301.03537	100.0
302.03986	3.1
343.04599	0.8
424.96170	0.5
459.05359	0.6
461.07089	0.6
476.25409	1.0
477.06784	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	477.1321
Annotation	(-)-Blestriarene C
Peak:m/z	Relative Intensity
54.29899	0.4
54.36165	0.4
56.89539	0.5
59.01233	1.7
86.34453	0.5
91.72767	0.8
93.03311	1.6
107.04891	0.8
108.02012	0.6
109.02802	2.5
121.02806	4.4
123.00802	0.6
136.01581	2.9
137.02333	7.3
171.08058	1.2
182.07275	1.3
183.08101	1.4
197.06049	1.6
198.06778	1.4
199.07628	3.8
212.04874	0.5
225.05588	0.7
226.06332	4.1
227.07086	8.0
228.07890	1.1
258.05267	0.7
289.08466	0.5
342.08475	0.7
358.08051	0.6
370.08539	2.3
371.08954	3.6
386.07886	2.5
387.06824	0.5
398.49030	0.5
421.14096	0.5
431.12552	0.9
433.14191	1.1
449.13586	1.4
458.04047	0.5
459.12225	2.1
477.13214	100.0
478.13425	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82681	0.8
53.52351	1.0
55.52914	0.8
57.03307	5.3
59.01244	6.6
60.01562	0.9
61.48851	0.9
62.34872	1.0
66.73293	0.8
71.01235	1.8
76.00344	1.0
76.58708	1.1
85.02802	0.9
89.02328	1.5
89.61761	1.0
91.56116	1.2
99.04391	4.6
100.04772	1.0
101.02314	4.5
106.34934	1.1
108.02044	4.0
121.02779	2.2
123.04401	4.4
125.02317	2.4
133.78065	1.2
141.38901	1.2
148.96306	1.1
151.00925	1.8
151.71097	1.2
152.01639	11.4
160.03937	1.7
173.78444	1.3
179.00294	1.6
192.01126	1.8
193.01912	11.2
194.02751	19.3
206.02811	1.3
208.00716	5.7
212.07347	1.4
221.39478	1.2
225.00981	3.8
256.04257	1.3
305.31268	1.3
316.06491	100.0
316.20990	2.0
317.06815	4.2
333.15549	3.1
478.11771	18.5
478.19049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68440	1.1
57.03311	17.6
59.01242	19.4
61.98699	1.5
71.01249	10.2
72.99182	1.2
73.02803	9.8
80.21828	1.4
85.02812	2.9
89.02311	9.1
96.95874	3.3
99.04379	12.2
101.02301	18.2
112.03905	100.0
112.06847	1.4
113.02312	6.6
119.03376	5.1
123.04404	2.8
125.02328	6.2
131.03395	3.2
133.01109	1.5
136.03922	49.4
143.03386	2.3
161.04466	11.4
179.05533	12.7
203.05553	3.0
214.97934	1.4
221.06660	7.0
263.07748	3.4
305.34186	1.7
309.94214	1.8
316.10458	1.9
323.09848	4.8
334.11252	6.6
358.11575	2.2
365.10965	2.1
393.12750	1.6
405.66415	1.6
478.15909	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	478.2449
Annotation	Anthriscifolcine C
Peak:m/z	Relative Intensity
54.45169	0.3
57.96150	0.4
59.01019	0.3
59.01241	3.7
64.50162	0.4
64.74140	1.0
64.74431	0.5
68.63527	0.4
69.81490	0.4
70.30516	0.4
71.01235	2.1
72.45127	0.4
80.60723	0.5
85.02798	0.6
89.02305	2.3
89.27439	0.4
91.79132	0.4
98.58685	0.4
99.26662	0.4
101.02312	1.5
113.02277	1.0
119.03380	1.4
135.04382	5.1
147.03139	4.3
160.03932	1.0
162.00200	1.1
162.05504	100.0
163.05833	1.7
214.78465	0.4
256.89481	0.6
298.18100	0.6
478.24500	40.6
479.25137	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.47636	0.2
56.39610	0.3
59.01225	0.2
59.48752	0.2
61.07715	0.2
61.98698	1.5
63.01305	0.2
72.79583	0.2
73.81383	0.2
78.94080	0.3
78.95760	18.3
79.13660	0.2
90.09367	0.3
91.36841	0.2
96.96825	0.3
121.99982	0.8
134.98439	0.3
139.99988	0.4
140.01062	5.7
145.02966	0.2
152.99477	2.1
166.02631	0.5
171.00531	0.4
196.01910	0.5
196.03726	10.3
214.04839	2.2
281.24863	100.0
281.37592	0.8
282.25189	2.9
403.30267	0.2
444.94131	0.3
478.29398	29.9
479.29852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80870	0.1
57.03307	0.1
58.16470	0.3
59.01240	1.3
63.02258	0.3
65.00188	0.8
67.55904	0.1
71.01241	0.8
72.99158	0.3
73.02784	0.2
75.00733	0.5
81.09603	0.1
83.01238	0.5
85.02791	1.0
87.00735	0.3
89.02290	0.2
89.33231	0.2
91.05411	0.1
95.01230	0.4
97.02788	0.3
99.00755	0.5
103.00221	0.2
107.01250	1.7
113.02297	1.4
117.01784	0.2
121.02769	0.2
133.02824	8.6
147.04391	0.2
149.02313	1.9
151.00261	4.8
159.45726	0.1
169.06337	0.2
171.04474	0.3
173.05962	0.2
175.02345	0.5
175.03862	3.0
183.80064	0.2
185.06003	0.3
197.05954	0.3
198.03204	0.2
199.03952	2.3
201.01862	0.7
201.05571	0.2
211.03970	0.3
212.04852	0.2
213.05498	0.5
215.03448	0.4
217.05034	1.4
223.04019	0.2
229.04945	0.2
235.48770	0.1
241.04997	0.9
243.03040	0.8
243.05147	0.1
255.02948	0.4
256.03766	0.6
257.04492	0.5
267.03076	0.4
283.02597	0.3
284.03305	1.2
285.04056	100.0
286.04410	3.0
301.03461	0.3
302.03864	0.3
303.04016	0.4
399.06982	0.3
417.07913	0.2
461.07288	25.0
462.07721	0.9
477.28040	0.2
479.08511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56583	2.6
58.00451	3.1
59.01253	4.7
59.19661	2.1
59.53036	2.3
96.95849	4.8
121.15492	3.0
122.06042	3.0
124.03975	4.5
146.06009	6.4
200.10768	5.2
201.10358	4.1
204.06630	8.2
223.62880	2.8
226.12314	3.5
228.09052	3.0
229.09628	3.7
234.73497	2.9
240.09526	2.6
241.09921	7.4
242.10677	3.4
243.11360	66.8
254.10657	5.8
256.08423	2.9
260.08035	5.3
267.11475	3.5
268.11893	2.9
269.12949	18.6
271.10864	14.5
279.86642	3.5
285.12640	2.9
297.12753	2.8
299.10437	3.5
301.11935	100.0
302.12424	3.1
313.11942	10.3
327.13480	45.6
327.17117	4.1
329.11395	28.2
333.00995	4.3
339.13495	4.2
355.12888	4.5
371.12476	5.3
383.12827	3.4
389.13562	46.7
391.15146	3.9
401.13651	5.3
419.14661	10.8
443.13873	5.2
479.16718	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02075	4.4
54.47965	4.8
58.65265	4.2
59.22821	3.8
59.40807	4.4
60.76684	4.0
61.98701	10.2
64.15002	4.5
64.61783	5.4
67.07453	4.2
70.49619	4.5
72.19387	5.1
75.00716	10.3
80.84454	5.0
91.37509	5.4
93.97453	5.8
96.95880	7.3
106.52338	4.9
108.57112	4.9
116.92765	8.1
144.04404	14.8
146.06007	100.0
152.42883	5.7
152.99448	5.8
157.82005	5.5
174.05547	38.8
186.05609	7.6
202.05031	18.8
223.62907	5.8
252.10199	12.6
256.10001	6.0
262.79178	6.4
268.10019	8.9
308.09332	92.2
310.10727	10.0
326.10385	16.3
338.10172	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	480.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87302	0.3
69.93692	0.3
78.95759	18.1
85.37990	0.6
134.98398	0.4
139.43050	0.3
152.99463	2.4
162.05518	1.2
168.04210	2.6
176.07076	1.1
224.06906	7.8
242.08047	1.7
243.40326	0.4
245.04250	0.6
253.21965	0.5
255.12790	0.9
255.23288	100.0
256.23642	3.1
400.86710	0.6
444.34995	3.3
464.36566	0.4
480.30957	27.7
481.31268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14941	0.3
57.03307	1.1
59.01245	5.6
63.02250	1.4
65.00185	0.4
65.57104	0.3
71.01236	1.8
72.99153	0.5
78.95730	0.3
81.18987	0.3
83.01250	0.4
85.02810	8.2
87.00742	1.8
88.34437	0.3
95.01237	1.1
96.95874	0.5
99.00697	0.5
103.00225	1.2
107.01251	1.3
113.02306	8.0
115.00235	0.8
117.03320	2.9
118.82751	0.4
129.01811	0.7
149.02332	1.2
151.00269	0.7
159.04405	1.3
161.02327	1.2
166.44968	0.3
169.06409	0.5
175.02403	6.8
176.75400	0.4
183.04312	0.8
196.05260	0.5
197.06001	0.8
225.05580	0.9
269.04572	100.0
269.16141	1.1
270.04959	2.7
431.16827	0.4
445.07852	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	481.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79868	1.0
51.99178	0.9
52.36383	1.0
61.94190	1.0
62.79356	1.1
66.67416	1.1
73.97102	1.0
82.64305	1.1
83.58100	1.1
93.03317	57.7
93.03916	2.9
96.95864	4.2
117.93654	4.9
126.67316	1.2
130.06496	3.8
132.66638	1.5
137.02321	100.0
153.52271	1.4
163.94246	3.4
203.08186	2.1
205.07191	1.4
221.99947	2.5
223.08691	1.5
253.19524	1.3
254.85866	1.7
276.84631	1.9
277.00659	17.0
299.07867	2.3
445.13525	69.4
446.14279	2.6
481.09439	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26907	0.9
62.55925	0.6
77.56462	0.5
78.95760	43.8
80.31847	0.6
96.96823	3.6
103.21557	0.6
152.99477	65.3
153.04639	0.8
171.00537	18.8
209.07303	0.6
227.03241	2.8
232.45328	0.7
245.04301	100.0
246.04759	1.2
253.21729	62.1
254.22050	2.6
301.50375	0.7
301.91495	0.7
309.47968	0.6
346.05844	0.6
350.54654	0.6
445.36118	0.6
481.25735	50.3
482.26138	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	482.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21322	1.5
58.99457	7.2
59.01241	3.0
74.00563	14.3
82.02840	7.4
83.98990	3.9
89.00536	6.4
91.73045	8.5
94.02844	3.0
96.04415	10.4
96.95872	3.3
97.01045	4.4
98.00561	5.3
98.02331	13.2
108.04445	3.6
111.89783	1.8
112.76260	1.9
116.04480	2.3
122.10258	2.3
124.03924	39.2
129.68715	1.9
130.08623	3.0
137.80249	2.1
139.00851	2.4
140.01643	85.9
152.03441	6.0
156.01147	18.5
158.02745	11.6
168.02917	7.1
170.04515	5.3
184.00665	37.8
196.02444	7.7
202.01834	11.1
214.03505	4.1
218.01233	5.7
241.86516	2.5
246.00771	100.0
264.01877	21.4
269.11331	3.6
295.65634	2.3
376.79254	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	483.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58688	0.5
59.01251	0.9
61.98688	1.4
65.00168	1.1
67.46120	0.6
71.13300	0.6
83.01240	1.2
85.02817	1.1
87.00742	1.2
90.98751	1.2
90.99237	1.0
91.17020	1.4
91.17510	1.0
96.95853	1.8
97.02824	1.3
102.03530	0.7
107.01253	2.6
123.51033	0.7
124.39722	0.7
125.02293	1.1
133.02826	8.4
149.02332	1.4
151.00270	8.6
159.02834	0.9
175.03958	2.5
175.89673	0.8
198.03323	0.9
199.03954	2.0
215.03296	0.7
217.05130	1.0
227.03384	1.1
238.17271	0.8
239.03494	1.0
241.05305	0.9
255.03029	3.2
256.03763	25.0
257.04471	1.4
269.04520	0.9
277.38538	0.8
283.02460	3.2
284.03278	69.4
285.04053	78.6
286.04401	2.4
297.03967	1.2
307.02222	19.6
319.02405	1.2
325.03549	1.9
339.01224	1.3
423.03561	1.2
423.12701	2.1
483.05481	100.0
484.05869	5.1
489.14639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26547	0.5
57.03286	0.7
63.26726	0.6
65.00188	1.2
83.04871	1.0
91.17011	1.4
95.95142	0.7
96.95850	0.7
99.04375	0.9
107.01241	3.0
133.02824	12.1
138.64687	0.7
146.41968	0.7
147.35693	0.8
149.02318	2.0
151.00256	7.4
169.33867	0.7
175.03867	3.4
175.94250	1.6
176.95036	1.4
183.56975	0.7
196.25838	0.7
199.03957	2.5
201.01834	1.8
215.03461	0.8
217.04971	1.6
241.04987	1.0
243.03119	1.5
255.02989	0.8
256.03757	1.4
257.04581	0.8
278.31848	0.8
284.03305	12.7
285.04056	100.0
286.04364	3.5
297.04062	1.3
307.02240	7.8
327.05124	1.2
434.24246	0.8
483.05453	52.1
483.31613	3.4
484.05756	3.5
506.76093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
65.00169	1.3
67.01753	1.3
71.01228	4.3
78.17800	1.3
81.52629	1.3
82.59547	1.1
83.01188	1.3
85.02796	4.3
87.00739	9.7
90.98754	1.8
90.99257	1.7
91.73301	2.4
96.95860	1.3
97.02800	1.6
109.99965	3.2
117.03321	4.5
119.01202	1.1
131.05003	1.1
135.00809	1.2
136.98706	2.9
139.00285	1.4
154.55466	1.4
159.02911	10.1
163.00238	16.2
164.00977	2.3
165.01817	2.7
165.98970	3.1
166.99802	1.3
177.01782	2.3
186.37140	1.2
187.03929	4.1
195.04349	1.5
197.00648	1.2
200.04672	3.2
205.01337	1.3
207.02827	1.4
211.04028	2.1
212.04805	2.5
213.05540	5.0
214.02725	1.9
227.03362	2.8
228.04291	2.0
229.05092	1.3
239.03517	3.6
240.04306	1.8
241.05113	2.4
255.03014	5.0
261.01859	1.4
283.02548	12.8
284.03268	92.8
285.04037	61.7
286.04379	3.4
297.04108	1.8
305.00595	1.3
306.01450	7.4
307.02258	26.0
308.02811	1.6
319.02200	3.1
321.02438	1.6
327.05151	2.1
394.03058	3.0
466.05371	3.4
483.05463	100.0
484.05695	4.6
508.28049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47946	1.9
59.01247	3.8
62.04682	1.8
72.53231	2.1
77.73875	2.2
80.62312	2.1
83.42013	2.2
96.95840	2.2
121.02813	9.1
121.61917	2.3
123.00684	2.6
211.03983	6.6
217.81551	2.7
225.05531	5.7
239.03493	3.5
258.05377	2.8
279.09543	2.5
461.81378	2.4
467.11737	3.4
468.12082	8.4
483.14526	100.0
484.15033	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	483.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.5
61.98679	2.9
68.87482	2.5
74.44147	2.4
78.95756	2.5
80.56802	2.4
81.17959	2.9
82.99149	3.0
104.08887	3.1
209.05974	5.6
210.06927	9.3
212.08386	9.9
224.08423	7.1
234.93634	3.3
286.65945	3.1
332.80695	3.2
417.05777	3.5
423.16092	100.0
424.16278	8.8
463.01663	3.4
490.22183	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	483.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37835	0.2
59.01241	4.3
62.52899	0.1
63.37074	0.2
66.53954	0.1
67.39906	0.2
78.59018	0.2
93.03313	2.5
107.04919	0.2
108.02029	0.6
114.66516	0.1
118.46876	0.1
119.04887	1.9
120.99152	0.3
121.02819	20.9
122.03674	0.8
123.04427	0.3
135.04390	0.4
136.05006	0.2
141.40373	0.1
143.04904	0.2
143.08533	0.2
155.08533	0.2
167.08464	0.2
169.06487	0.3
171.08057	0.2
181.06624	0.2
182.07318	0.6
183.06609	0.2
183.08127	0.5
196.05157	0.3
197.05983	2.3
198.06783	3.1
199.07582	3.6
200.07938	0.2
207.04491	0.2
208.05185	0.3
209.06010	2.0
210.06804	5.5
211.07585	13.7
212.08220	1.2
213.05472	1.6
213.09077	0.3
224.08388	0.6
225.05554	2.7
226.06267	2.4
227.07089	1.0
229.05016	0.3
242.05811	0.6
243.06593	3.1
244.07185	0.3
246.79118	0.2
256.07349	0.3
275.10605	0.2
303.10266	0.6
304.11087	1.9
315.10193	0.3
316.11057	0.5
317.11801	1.1
318.08716	0.2
331.09735	0.5
331.31192	0.3
332.10571	3.9
341.36899	0.2
395.16660	0.4
408.14288	0.2
422.15176	0.6
423.16052	100.0
424.16391	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	483.1815
Annotation	Milolide L
Peak:m/z	Relative Intensity
53.82785	0.5
54.43259	0.4
59.01240	7.7
61.98684	0.6
65.84221	0.4
66.54670	0.5
67.63712	0.4
70.24932	0.5
72.30113	0.5
74.63589	0.5
74.78511	0.5
77.86674	0.5
85.75954	0.7
91.73339	0.6
93.03315	2.0
93.24571	0.5
108.02029	2.1
111.13940	0.5
119.04887	1.4
121.02812	7.3
122.03607	5.1
123.04390	1.7
131.02937	0.5
134.03618	3.1
135.04391	1.3
141.05542	0.6
181.06488	0.7
182.07242	0.9
197.06017	3.8
197.58731	0.6
198.06818	1.2
209.06023	3.5
209.44049	0.5
210.06766	5.0
211.07574	6.1
212.08340	1.1
213.05621	0.7
220.07216	0.7
223.04025	0.5
224.04782	0.7
224.08376	1.2
225.05545	2.8
226.06302	4.1
227.07120	2.2
234.36752	0.6
242.05914	1.2
243.06592	1.8
256.07370	0.8
304.11023	0.9
316.11075	1.9
317.11850	5.1
395.16586	2.2
407.73282	0.6
422.15204	0.9
423.16058	100.0
424.16296	5.9
468.15842	1.5
483.18137	13.6
484.18616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98854	0.4
59.01243	2.1
61.98706	1.3
63.83067	0.5
85.44449	0.5
93.03335	1.1
111.04726	0.6
121.02801	4.5
122.03586	5.1
123.04414	2.0
133.72774	0.7
165.93742	0.6
183.08195	0.7
183.42404	0.9
198.06776	1.2
209.06064	2.5
210.06789	2.5
211.07643	1.9
212.08479	0.9
213.00818	0.8
213.09224	0.8
224.61971	0.7
225.05548	2.3
226.06314	8.0
227.07094	1.6
300.79565	0.7
315.10184	1.1
316.11142	2.1
317.11865	7.4
348.09848	0.8
423.16080	100.0
424.16400	4.8
444.13217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31898	0.5
54.02556	0.6
59.01244	10.2
62.81713	0.5
67.05369	0.6
68.17426	0.6
69.19874	1.3
78.93994	1.1
78.95758	53.8
78.97771	0.6
83.04867	0.7
83.10433	0.6
85.65076	0.6
87.23711	0.6
96.96816	1.8
98.81861	0.6
120.27843	0.6
122.98421	0.8
124.99961	14.3
149.13135	0.7
152.99467	24.2
163.07510	0.7
171.00560	1.7
181.02623	26.0
182.03076	0.7
183.01173	1.2
199.03699	7.7
202.60097	0.6
203.17944	3.2
223.17065	0.9
227.03230	2.8
232.68816	0.6
245.04340	1.6
255.23285	100.0
256.23529	2.3
257.22726	17.4
271.20612	0.8
301.21735	90.7
302.22125	3.7
325.18311	1.7
400.86838	0.9
422.74350	0.7
423.16171	1.0
468.63922	0.9
483.26172	40.1
484.26376	1.2
509.44000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.88953	0.6
59.01240	0.8
60.03911	0.7
62.56606	0.6
78.95296	1.0
78.95759	18.1
85.60164	1.4
85.60621	1.0
88.14306	0.6
94.92363	1.0
96.96836	1.8
112.84354	0.6
129.09587	0.6
152.99467	29.7
158.84607	0.6
160.76979	0.7
171.00542	1.5
179.06677	0.6
183.01183	1.1
188.29301	0.7
199.87683	1.0
227.03218	3.7
245.04404	0.9
255.23294	100.0
256.23602	2.6
325.18372	2.5
392.70670	0.7
398.20419	0.7
437.65985	0.7
483.27283	59.3
484.27585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
59.01252	0.5
61.98685	0.3
70.40469	0.2
78.95760	7.0
85.60111	0.5
85.60595	0.3
96.96803	0.6
117.93964	0.3
124.99811	0.2
152.99477	14.7
171.00517	1.3
183.01102	0.7
224.73431	0.2
227.03229	3.2
237.22157	0.4
245.04324	1.1
255.23289	100.0
256.23682	3.3
271.19290	0.2
301.21826	0.4
325.18414	1.5
483.27295	30.0
484.27509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15795	0.6
54.59292	0.5
56.21437	0.6
59.01221	0.9
61.98676	1.2
68.30416	0.7
79.95586	2.3
80.56458	0.6
88.03883	4.4
89.57525	0.6
96.95868	100.0
106.04126	0.8
115.08659	0.8
162.05531	2.3
164.07137	0.9
174.09183	0.8
174.70183	0.7
175.06294	4.0
175.07610	1.8
189.05508	0.8
191.09454	1.4
212.10753	1.1
216.66687	0.8
248.09297	4.4
268.06485	1.3
271.06638	1.5
280.13245	0.9
283.94370	0.8
294.08273	2.9
307.17862	0.8
308.09738	2.6
310.07718	1.1
317.16324	5.4
326.07236	1.4
334.07651	2.3
336.05566	1.3
336.09131	1.6
342.17075	1.0
352.08490	1.6
362.06985	1.7
380.08295	6.0
400.54147	0.8
406.06467	0.8
424.07166	21.0
425.07321	0.9
446.05811	2.4
466.19830	1.9
484.20853	6.7
484.27213	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	484.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36746	0.1
54.52868	0.1
61.97375	1.8
61.98692	100.0
63.49305	0.1
64.92964	0.1
88.70776	0.1
96.95868	0.2
123.61634	0.1
146.41273	0.1
146.48909	0.1
311.93646	0.1
396.15976	0.2
400.90909	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	485.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38393	0.4
53.74997	0.2
56.56936	0.2
59.01266	0.3
61.98686	0.3
75.94307	0.3
76.21292	0.3
79.95592	2.3
80.96381	2.9
81.97103	0.3
87.00739	0.3
96.95866	1.2
112.90234	1.1
112.93590	100.0
112.96522	1.0
114.93229	0.4
118.97943	1.2
122.00607	0.5
132.40916	0.3
134.05968	2.0
147.03223	0.4
150.00037	2.4
150.05502	0.4
151.00818	0.8
152.07053	4.7
162.82968	0.3
177.99609	2.1
206.04518	0.8
237.71904	0.3
238.01691	1.4
250.01730	0.7
257.07513	0.3
278.87610	0.3
284.66220	0.3
285.07120	1.0
310.51102	0.3
311.10342	0.5
315.08121	3.9
316.08853	1.2
335.53537	0.3
343.07599	2.5
371.12338	0.8
385.08804	0.6
403.09705	8.5
404.09988	0.5
405.11121	0.8
421.72440	0.4
467.05905	1.7
485.06961	11.6
486.07361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38420	0.3
51.61750	0.2
53.51595	0.2
59.01241	0.6
61.98687	0.4
79.95583	2.1
80.96375	2.5
96.95883	1.3
99.29769	0.2
103.28547	0.3
106.06516	0.3
112.93593	100.0
112.96706	1.4
114.00016	0.3
114.93135	0.4
118.97942	1.3
122.00597	0.4
134.05981	1.7
147.03278	0.3
147.78745	0.3
150.00041	2.4
151.00865	0.5
152.07066	4.4
177.99565	1.8
196.00616	0.5
206.04561	0.9
238.01776	1.2
250.01724	0.7
257.07532	0.6
285.07025	0.9
315.08130	4.1
316.08740	1.5
343.07568	2.3
371.07498	0.3
371.12396	0.7
385.08710	0.7
403.09698	10.1
405.11282	0.7
421.72382	0.3
452.12460	0.3
467.05893	1.5
485.06943	12.9
486.07333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1609
Annotation	isogemichalcone B
Peak:m/z	Relative Intensity
56.45850	1.2
59.01233	2.8
67.01729	1.2
89.01371	1.3
108.02029	3.5
109.02835	1.2
121.02850	6.0
123.00728	5.1
131.69673	1.4
136.01530	6.8
137.02299	2.8
151.00266	10.7
152.01027	6.8
186.79350	1.3
195.04439	1.8
197.06006	1.8
225.05550	9.6
226.06386	1.6
227.07056	1.8
239.03694	2.0
241.04994	4.0
242.05856	19.2
251.54355	1.2
274.04828	6.0
451.12134	4.6
452.12677	20.4
453.13361	3.9
457.09720	1.5
467.15018	100.0
468.15338	5.5
485.16180	30.9
486.16513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35590	0.3
52.60421	0.7
53.63089	0.3
54.84515	0.2
56.49722	0.3
57.40567	0.3
58.51703	0.3
59.01243	0.7
62.88747	0.3
67.01719	0.5
73.17020	0.3
81.96182	0.3
83.21478	0.3
93.03309	5.0
96.95862	2.8
99.12957	0.3
106.04118	0.6
107.04895	4.4
108.02011	0.9
109.02805	1.4
109.69844	0.5
121.02819	19.9
122.03605	1.5
123.00739	0.6
124.01543	1.1
131.04939	0.5
132.02052	0.4
135.04379	0.7
136.01509	2.2
137.02298	0.7
138.62808	0.4
141.06915	0.6
145.06453	0.5
152.07025	1.7
156.05727	0.5
157.06473	1.3
163.00314	0.6
164.01062	1.3
167.04964	0.5
169.06468	2.7
171.04384	0.6
176.24724	0.4
180.05763	0.6
181.06570	1.9
182.07362	0.4
183.04440	1.0
184.05241	2.4
185.05984	2.2
195.04474	1.1
196.05179	1.0
197.06023	6.1
198.06789	0.8
199.03925	1.1
199.07591	1.0
209.05901	0.4
211.03944	3.9
211.07555	1.0
212.04779	4.4
213.05539	5.5
215.07121	1.3
220.10335	0.3
224.04745	2.3
225.05540	13.5
226.06223	1.3
227.03455	1.4
227.07004	0.7
228.04221	1.5
228.07858	0.4
229.05051	1.0
229.08632	0.7
230.05870	0.5
239.03580	1.8
240.04251	4.3
241.05006	0.9
256.03735	0.4
261.09113	0.4
274.10059	1.5
275.10657	0.5
290.09628	0.5
300.07831	0.5
301.08600	0.4
302.09552	0.6
303.10324	0.5
305.11340	0.4
315.10300	0.8
317.08148	1.6
318.09018	1.9
333.11389	3.7
333.21039	0.4
369.15134	0.9
379.13431	0.5
381.14874	0.9
397.14508	0.7
407.12930	1.1
425.13995	23.1
426.14297	1.1
435.12433	0.7
453.13461	100.0
454.13846	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	485.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15118	0.5
57.31809	0.4
58.02835	1.0
58.44105	0.5
58.44500	0.5
59.01238	6.6
61.98676	0.7
64.37498	0.5
70.53029	0.6
72.00765	0.5
74.02332	1.6
74.68017	0.5
78.91707	0.7
82.02840	2.1
84.04398	2.4
86.02332	12.5
88.03899	0.7
88.20071	0.6
91.72739	1.2
96.95857	0.8
102.98433	2.1
107.89359	0.7
109.07549	0.8
118.97945	2.3
120.00256	1.0
120.01118	16.8
120.01956	1.3
127.04995	2.5
127.08651	13.8
128.03407	100.0
129.03766	0.8
153.06572	6.5
159.32564	0.6
160.36681	0.5
163.11194	2.9
171.07655	38.3
173.03448	0.6
179.04530	0.9
191.14340	0.7
197.05626	0.7
213.03304	1.4
215.06708	5.0
226.08559	0.6
231.04449	9.5
235.13397	5.8
249.05505	53.3
250.05750	1.1
314.68314	0.6
348.06531	0.6
352.65250	0.6
356.15457	1.8
384.23831	0.6
397.55338	0.7
467.18341	1.3
485.19379	3.3
499.30457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58799	0.7
52.68786	0.7
57.03315	34.8
59.01237	17.6
61.09301	0.7
61.98682	1.3
64.64332	0.6
66.57021	0.7
71.01237	3.9
73.02807	2.1
79.05381	1.8
81.03310	2.2
83.01270	0.8
83.04887	1.5
85.02795	2.0
95.04879	6.0
96.95858	9.7
99.04374	36.1
101.02296	10.0
109.06443	1.4
113.02325	1.3
119.08533	1.2
121.06462	1.4
123.04361	1.8
123.45403	0.7
125.02316	22.1
125.03241	1.1
135.08040	1.8
136.40794	0.7
140.24997	0.8
143.03424	1.3
149.09525	1.2
151.05064	0.7
151.11179	3.1
159.08060	2.1
161.04483	6.2
161.09613	31.0
164.08337	7.1
178.59389	0.8
179.10684	100.0
180.11058	2.2
285.53738	0.8
286.03894	1.3
300.42322	1.1
365.66898	0.9
383.17255	2.4
485.05930	1.0
485.20197	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	485.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22431	1.6
59.01241	9.3
73.21602	1.5
78.95760	38.1
78.96200	2.7
79.95598	2.3
87.87968	1.5
89.15078	1.5
89.15660	1.7
96.88261	1.6
96.95868	15.0
110.42394	2.0
110.50098	1.6
117.33180	1.7
122.97475	2.1
124.99963	11.4
130.60696	1.6
141.19214	1.9
152.99489	7.7
181.02602	15.6
181.80670	2.1
199.03708	8.1
214.62619	1.7
259.24265	9.6
267.15909	2.1
303.23297	100.0
304.23810	2.0
321.13181	1.8
348.83374	2.3
485.27246	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44980	0.5
59.01246	8.2
59.97358	0.5
61.98693	16.1
71.01237	5.2
73.02794	1.0
74.23327	0.6
77.00364	0.6
78.28311	0.6
85.02827	0.9
89.02309	5.0
96.95865	6.4
101.02297	4.6
101.33678	0.6
105.14435	0.7
106.75569	0.6
107.79630	0.6
113.02307	2.5
119.03316	0.6
122.79075	0.7
161.04497	1.6
164.40259	0.8
205.19487	1.1
235.08266	0.9
236.21642	0.8
245.00285	0.7
247.17038	0.8
249.18593	100.0
250.18939	3.0
253.07211	0.6
253.09291	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	485.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58313	0.2
55.01751	0.2
59.01243	7.0
61.81704	0.2
61.98697	1.3
62.78084	0.2
69.03271	0.2
71.01241	3.9
73.02802	1.0
77.96289	0.2
83.01228	0.5
83.04871	0.4
85.02799	1.1
87.00739	0.7
89.02293	4.1
95.01247	0.5
96.77568	0.2
96.95843	0.2
97.06464	0.2
98.86270	0.2
99.00743	0.3
101.02309	4.7
109.06389	0.2
111.04305	0.2
113.02309	2.0
117.01706	0.2
119.03349	1.1
128.41336	0.2
130.56844	0.2
133.04932	0.6
143.03415	0.4
157.04961	0.3
161.04427	1.7
162.99689	0.2
177.16356	0.3
179.05473	0.3
205.19591	1.0
231.17529	0.5
235.08211	1.2
247.16975	0.4
249.18591	100.0
250.18945	3.5
253.09291	14.7
254.09610	0.4
276.24240	0.2
387.86896	0.2
418.79541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27592	0.1
50.53942	0.1
54.38984	0.1
61.98671	0.1
62.94836	0.1
62.96271	8.3
78.95764	4.0
88.51984	0.1
93.28416	0.1
98.13519	0.1
122.17714	0.1
123.26952	0.1
138.05106	0.1
163.30127	0.1
169.20027	0.1
182.23016	0.1
189.12836	0.2
192.77336	0.1
213.17801	0.1
218.95651	0.1
224.06212	0.1
264.09229	0.2
280.09433	0.2
280.12375	3.3
280.15442	0.2
312.11472	0.6
349.21652	0.3
364.24133	0.2
405.28036	0.4
413.18832	0.5
421.31140	2.6
422.31696	0.2
427.20499	0.4
428.21194	0.5
429.22125	0.4
453.21951	0.3
454.31708	0.1
455.23459	0.6
469.25146	12.4
470.25763	1.0
485.28293	100.0
486.28665	6.1
502.25229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68633	0.1
61.97363	1.7
61.98693	100.0
61.99838	1.4
69.52873	0.1
70.85456	0.1
242.06784	0.2
246.87669	0.2
418.10016	0.2
423.16232	0.7
511.32150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01239	0.2
64.79040	0.1
67.63288	0.2
69.69999	0.1
78.95773	0.2
79.95593	1.8
84.15372	0.1
85.56138	0.1
96.93523	1.3
96.95871	100.0
96.98587	1.2
97.95810	0.2
99.04369	0.2
101.02293	0.3
112.93604	0.2
114.93169	0.6
120.04435	0.7
124.03900	0.5
130.08611	0.3
132.04451	0.5
136.05197	0.5
138.05519	0.3
147.77199	0.2
151.07504	0.2
156.06577	0.5
163.07530	0.3
168.06595	0.4
168.75081	0.1
176.03458	0.2
180.07967	0.2
181.08617	1.1
188.55635	0.1
200.10725	0.4
201.10449	0.2
203.12534	0.1
228.09041	0.2
243.11385	1.4
244.11760	0.5
269.12961	0.4
270.13181	0.3
301.32877	0.2
309.04245	0.2
313.12015	0.3
343.14243	0.3
357.11063	0.5
362.15573	0.2
389.13776	1.0
398.17017	0.4
399.17764	0.3
424.18835	0.2
425.18729	0.3
426.16635	0.2
427.17230	0.3
486.18805	0.6
487.18875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
57.12629	0.4
57.35807	0.4
57.95220	1.1
59.01242	13.7
59.02039	0.5
61.98698	0.6
71.01230	2.0
72.03036	0.5
73.02792	1.2
80.96407	0.6
85.02789	1.9
89.02300	2.1
96.95869	3.0
101.02299	1.5
103.03866	0.7
107.04893	1.1
112.93574	3.2
119.03366	0.8
121.02819	1.0
128.03442	0.7
131.23073	0.5
133.02815	3.9
134.03616	12.2
135.04393	100.0
136.04749	1.4
137.02319	3.9
146.02312	0.7
159.04402	1.8
161.08968	0.6
177.01836	1.1
177.05460	1.5
177.99487	0.7
178.02626	11.2
178.08881	0.7
179.03404	66.3
180.03845	0.9
221.04536	1.8
264.62216	0.6
323.07724	7.0
327.09671	1.0
341.08682	4.7
345.05411	0.5
361.08521	1.7
443.05759	1.7
443.15475	4.7
478.62476	0.7
487.14594	63.7
488.14972	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	487.146
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
54.34269	0.4
57.03318	0.4
57.95218	1.1
57.95462	0.5
58.00447	0.4
59.01241	11.1
61.98690	1.3
67.16332	0.5
69.39275	0.8
71.01244	2.2
72.65829	0.4
73.02785	0.6
75.10018	0.6
85.02808	2.0
86.21196	0.5
86.74012	0.5
89.02304	2.0
92.27681	0.5
96.95840	2.4
97.02834	0.6
99.04349	0.6
101.02295	1.3
103.03888	0.8
104.83054	0.5
105.47672	0.5
107.04875	1.4
110.47524	0.5
119.03353	0.7
121.02802	0.7
128.03412	1.0
133.02844	3.5
134.03619	11.2
135.00468	1.1
135.04398	100.0
136.04736	2.0
137.02345	2.9
139.03883	1.1
145.02774	0.7
149.05994	0.7
159.04443	1.8
177.01881	1.0
177.05542	1.5
178.02628	8.5
179.03412	69.0
180.03761	1.3
221.04475	2.7
237.31517	0.5
249.03952	0.5
276.19135	0.5
312.82016	0.6
323.07693	4.5
341.08804	2.9
443.15613	3.8
443.27182	0.5
487.14597	67.4
488.15042	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50602	0.7
57.03316	45.0
57.04460	1.0
58.99913	1.3
59.00191	1.5
59.01242	100.0
59.02428	1.6
60.38494	0.5
69.85221	0.7
71.01240	30.0
72.68230	0.6
72.99157	1.0
73.02804	32.7
74.15136	0.7
81.03320	2.6
81.54188	0.6
82.45269	0.7
83.01229	7.0
85.02800	6.3
85.90534	0.7
87.00743	2.3
89.02296	29.8
89.32949	0.6
90.96032	0.8
95.01250	2.5
97.02843	1.0
97.06508	0.9
99.00739	1.5
99.01421	0.8
99.04375	79.2
99.06973	1.3
100.04727	0.8
101.02303	47.7
109.06464	0.8
113.02304	19.1
113.05973	2.7
114.02652	0.8
119.02556	0.6
119.03373	12.1
119.04171	1.1
123.04361	7.2
125.02312	47.7
131.03423	3.3
135.08081	2.4
136.29588	0.8
137.09576	4.1
141.05476	2.3
143.03381	6.5
149.04446	7.3
153.05464	1.1
155.03470	1.1
161.04454	17.1
163.07553	7.0
165.09177	2.0
179.05528	12.3
179.06944	0.9
181.08617	18.7
181.10100	1.2
203.05609	1.9
205.08733	1.4
221.06590	6.0
223.09837	1.4
325.13107	2.3
343.13974	9.4
385.15100	12.9
425.18210	1.1
443.19220	6.2
469.13269	1.5
474.48138	0.8
487.18088	11.3
487.30475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02166	1.8
57.03318	96.2
57.04575	1.3
58.00447	1.0
59.00051	1.2
59.01244	81.8
59.02567	1.1
71.01243	26.8
73.02807	38.5
73.04626	0.7
76.63443	0.7
77.34415	0.7
79.05412	2.0
81.03308	3.7
83.01244	9.0
85.02811	4.0
87.00746	0.9
89.02299	20.1
91.73348	0.9
92.50085	0.9
95.01252	1.7
95.04890	1.2
97.02783	1.2
97.06461	1.7
99.01802	1.3
99.04379	100.0
99.07237	1.0
100.04711	0.9
101.02305	60.3
109.06463	1.6
113.02318	18.8
113.05940	5.9
119.03372	10.6
123.04391	22.2
125.02319	41.4
131.03378	3.6
141.05460	5.4
143.03391	7.3
149.04463	6.6
153.05417	3.8
154.08070	0.9
155.03372	1.5
161.04469	12.9
163.11237	1.4
179.05602	6.0
183.06544	1.2
221.06679	2.3
261.09912	1.1
267.98117	1.1
273.44333	0.8
291.44449	0.8
487.21799	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	487.3059
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.99717	0.4
135.94675	0.5
240.12276	0.5
240.37454	0.5
323.84668	0.5
431.23926	0.6
443.89444	0.6
451.32840	1.7
487.30612	100.0
488.30927	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	488.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91449	0.2
53.70935	0.1
59.01249	0.3
59.01699	0.2
61.19045	0.1
61.98722	0.1
64.56194	0.2
71.01240	0.2
74.02316	0.4
78.95747	0.4
82.02828	0.2
84.04393	0.6
85.02802	0.4
89.02291	0.2
92.69718	0.2
96.96826	0.3
101.02283	0.2
101.07057	0.2
102.02853	0.5
102.05466	37.5
102.08415	0.3
103.05795	0.5
107.02332	0.2
109.03957	0.5
116.91014	0.2
125.03461	0.2
127.05022	1.2
127.99730	0.4
128.03407	29.2
129.03761	0.5
145.04907	0.3
145.05223	0.2
145.06071	8.6
145.99904	1.1
146.04475	100.0
146.09625	0.8
147.04829	1.1
200.35287	0.2
209.32816	0.2
341.10715	0.4
342.11261	0.3
366.19785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98833	0.2
67.37347	0.2
71.25269	0.2
73.55695	0.3
84.04417	0.4
85.02798	0.4
88.35213	0.3
96.51986	0.3
96.96832	0.3
101.02300	0.6
102.02551	0.5
102.05467	37.9
102.08124	0.6
103.05794	0.5
127.05006	0.8
128.03406	28.2
128.07140	0.4
128.59610	0.3
129.03741	0.4
145.01276	0.6
145.06059	3.4
145.99295	0.9
146.04474	100.0
146.09006	1.3
147.04883	1.3
153.72696	0.3
323.51038	0.3
341.10934	0.5
463.14523	0.4
508.79556	0.3
512.77966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08280	0.1
59.01231	0.1
61.97533	1.3
61.98694	100.0
62.00032	1.7
69.23077	0.1
83.34373	0.1
85.37316	0.1
90.81511	0.1
92.64258	0.1
115.34025	0.1
170.61218	0.1
172.91599	0.1
235.71703	0.1
425.17328	0.1
440.79654	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	488.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97323	2.0
61.98693	100.0
61.99904	1.6
71.29845	1.4
93.26991	1.4
97.35308	1.5
100.83179	1.3
159.68677	1.4
161.18468	1.5
168.68362	1.5
279.82819	1.7
393.77173	1.7
425.17624	8.1
427.14438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83112	0.6
59.01238	13.2
76.57149	0.7
78.95776	1.4
90.91580	0.7
99.92490	0.9
121.02836	3.2
121.17574	0.8
136.01579	3.7
152.99509	2.7
184.52888	0.8
190.62149	0.8
197.06050	2.1
198.06715	1.0
204.38542	0.8
225.05502	6.3
226.06367	8.1
258.05380	1.9
261.37439	0.8
314.92520	0.9
331.09875	2.4
347.08362	0.9
396.67838	0.8
428.78311	0.9
438.14783	8.6
453.17099	100.0
454.17490	5.6
483.57681	1.0
493.37921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69977	0.7
57.02228	0.8
57.03318	49.7
57.04509	0.7
59.00113	1.5
59.01244	100.0
59.02473	1.6
64.11125	0.7
71.00871	1.5
71.01243	20.0
71.01637	1.1
72.91486	0.8
72.99160	1.0
73.02803	6.3
81.03307	1.5
83.01206	2.5
85.02815	6.6
87.00735	6.9
89.02297	19.2
95.01244	1.0
95.57183	0.7
97.75768	0.7
99.00737	2.5
99.04378	72.2
100.04696	0.9
101.02303	28.5
113.02297	10.3
115.15563	0.7
119.03355	8.4
120.49647	0.7
124.19129	0.9
125.02316	30.4
125.03251	1.5
129.01816	0.9
143.03358	2.9
149.04482	0.9
159.02892	1.8
161.04463	9.8
161.21408	0.7
170.90552	0.8
179.05531	1.0
191.21217	0.8
204.10056	0.9
213.09117	1.7
219.10223	1.2
237.11296	4.7
245.86458	0.8
257.08026	1.2
271.24625	0.8
288.53738	0.9
309.13458	3.5
327.14517	30.5
328.15033	1.5
369.15579	13.8
381.73163	0.9
409.18506	2.7
432.33249	0.9
445.20935	1.8
471.18552	2.8
489.19946	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	42.9
59.00116	1.3
59.01241	90.4
59.02468	1.3
60.48932	1.1
64.44324	1.0
69.03326	1.0
71.01239	44.2
71.01633	2.3
72.99149	1.3
73.02804	27.9
78.95765	2.3
79.95581	2.5
81.03296	1.8
83.01244	6.7
85.02804	10.3
87.00721	3.7
89.02299	49.0
89.02843	2.7
95.01225	1.8
96.95869	82.8
96.96853	3.7
96.98448	1.6
97.02795	1.9
97.06435	1.6
99.04375	29.9
101.02299	54.1
112.93561	1.3
113.02296	23.5
113.05904	2.2
119.03365	21.0
123.04381	4.3
125.02312	24.4
125.05971	2.3
129.87834	1.2
131.03363	3.6
138.06720	2.4
139.07538	2.6
142.40916	1.2
143.03432	7.2
149.04430	3.3
149.09572	2.0
150.80322	1.2
151.07567	6.8
152.08276	2.0
153.09088	7.1
161.04454	21.1
165.09050	2.1
171.54843	1.7
179.05534	12.4
183.10205	3.0
189.86769	1.2
199.64484	1.2
221.06609	1.4
250.41164	1.5
274.83069	1.4
302.98514	1.2
327.14526	26.8
345.15549	100.0
346.16028	2.7
387.16660	20.7
427.19702	3.8
489.19736	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02158	1.4
57.03316	82.9
57.04572	0.9
59.00021	1.6
59.01242	89.1
61.98714	0.8
67.75330	0.8
69.03299	1.5
71.01239	27.9
71.01640	1.4
72.01585	0.8
72.99132	0.9
73.02807	34.2
79.05389	1.3
81.03309	4.6
83.01245	11.9
83.12214	0.9
85.02812	5.8
87.00731	3.6
88.36930	0.8
89.02296	20.8
95.01279	1.8
95.04873	1.4
95.11739	0.9
96.95866	5.3
97.06441	2.6
99.01762	1.6
99.04376	100.0
100.04713	1.1
101.02303	58.7
108.21063	0.9
113.02305	17.2
113.05955	3.3
119.03355	9.9
119.78684	0.8
122.44363	0.9
123.04397	15.8
125.02319	46.4
128.03503	1.3
131.03374	3.4
137.09576	7.7
141.05421	3.2
141.92345	0.8
143.03333	7.0
149.04469	3.2
153.05473	2.9
161.04446	10.8
165.09140	6.4
179.05553	4.2
182.89685	0.9
183.10187	3.2
221.06686	1.5
313.07251	1.6
345.15735	2.0
387.16550	1.6
435.37085	1.1
445.20584	1.2
488.30713	2.7
489.19537	12.7
489.30286	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71188	1.1
50.74249	1.3
57.02270	1.7
57.03317	100.0
57.04479	1.5
59.01243	79.1
59.02473	1.4
64.16538	1.3
66.51526	1.2
71.01241	22.9
72.85183	1.3
73.02807	28.8
74.44030	1.3
81.03317	3.1
83.01237	8.0
83.40385	1.3
85.02807	4.7
89.02303	21.6
97.06440	1.4
99.02049	1.5
99.04375	98.9
101.02302	58.3
101.41685	1.6
113.02317	13.2
113.05964	3.4
119.03374	7.9
123.04382	14.9
125.02307	40.4
131.03368	2.5
133.50569	1.6
141.05479	4.1
143.03394	8.1
149.04448	6.6
153.05428	3.0
161.04463	15.4
175.48268	1.4
179.05499	4.6
221.06607	3.8
240.18721	1.5
369.24170	1.4
489.23404	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	490.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19962	0.4
52.95378	0.5
70.64194	0.5
76.25797	0.5
79.95585	2.1
95.96938	0.5
96.95869	100.0
96.98373	1.4
102.05430	0.9
128.03384	1.7
183.99226	2.0
214.00253	0.6
226.00327	4.2
244.01357	0.5
265.25314	0.6
295.21518	0.6
317.09549	0.8
349.08569	1.1
361.08444	0.9
386.16449	1.5
392.20728	2.7
412.14691	1.0
414.19028	0.8
426.96286	0.5
430.15585	3.9
442.80182	0.5
472.16428	0.8
490.17633	10.9
491.17825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03289	1.0
57.15167	0.5
59.01204	2.2
60.26719	0.4
61.23525	0.6
65.28593	0.4
66.35509	1.2
66.35838	0.9
67.01749	0.5
68.99654	0.6
71.01196	2.1
73.02773	0.7
81.03315	4.7
83.01239	6.2
85.02771	1.8
91.01700	0.5
91.98318	0.6
93.03275	1.5
95.01202	1.8
95.04879	3.9
96.95853	1.0
97.02811	3.4
99.04326	1.9
107.04841	2.0
108.02048	0.5
109.02789	2.1
109.06442	1.0
111.04341	1.2
113.02263	1.6
119.04866	1.2
121.02812	2.3
121.06429	0.9
121.26533	0.5
122.03572	0.9
123.04381	14.7
125.02316	8.0
128.03369	0.9
130.88460	0.5
133.06447	1.0
133.88943	0.5
135.04387	2.7
136.05093	0.7
137.02330	3.5
137.05150	0.5
137.05974	7.3
139.03874	6.4
141.05397	1.4
146.08055	0.7
147.04408	1.3
149.02303	1.1
149.05952	0.9
151.03891	2.7
151.07452	1.0
152.00998	0.6
153.05392	1.2
155.03441	0.9
161.05936	1.2
163.03954	3.2
163.07526	0.6
164.04709	1.5
165.01810	3.1
165.05469	4.6
165.72311	0.5
166.02563	0.9
167.03398	28.0
177.01836	0.7
177.05423	1.6
179.03403	4.9
179.07031	0.7
180.04085	0.5
181.04988	3.3
189.05463	1.3
191.03395	1.0
193.04967	4.2
197.04497	3.1
205.01308	0.6
205.05008	1.0
207.02701	0.5
207.06528	1.0
208.03726	0.6
209.04512	39.5
221.04523	9.9
223.06058	1.3
233.04498	1.6
235.06087	2.0
239.05586	13.8
248.03287	0.9
249.03941	0.6
251.05605	100.0
252.05919	1.8
263.05576	5.0
265.07144	1.2
269.06683	1.1
281.06680	65.0
282.07034	0.8
293.06598	3.2
311.07742	17.2
323.07782	1.6
335.07809	0.7
353.08817	5.5
371.09842	14.3
383.09769	3.8
401.10809	2.2
473.13309	1.1
491.14084	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	491.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00616	0.3
54.00833	0.3
56.06080	0.2
67.18780	0.3
70.55566	0.3
87.12292	0.3
93.03328	0.4
107.04859	0.4
108.02026	0.6
109.02799	0.8
120.88444	0.6
120.89206	0.5
121.02819	1.9
123.00720	0.3
124.73257	0.7
136.01541	3.4
137.02306	1.1
156.05766	0.4
160.83353	0.3
169.06496	1.1
171.08183	0.3
171.42836	0.3
182.07310	1.1
183.04469	0.4
183.08092	0.5
184.05176	0.3
185.06000	0.3
197.05992	1.9
198.06772	1.8
199.07574	1.1
208.05330	0.5
209.06032	0.5
210.06750	0.5
211.04030	0.3
211.07446	0.4
211.54356	0.3
212.04698	0.6
213.05400	0.5
214.06291	0.6
223.04015	0.3
224.04750	0.5
225.05495	2.0
226.04123	0.6
226.06316	10.8
227.07080	11.7
228.07642	0.6
239.07124	0.9
240.04279	0.5
249.05403	0.4
258.05276	1.6
273.13025	0.3
275.10831	0.4
291.10236	0.4
301.08575	0.8
303.10345	0.5
313.08499	1.2
315.09903	0.4
317.11859	0.6
319.09613	0.5
329.08029	1.6
331.09958	0.4
341.07916	4.0
342.08698	0.5
347.09164	0.6
357.07492	6.2
358.07635	0.4
369.07458	9.7
369.14584	0.4
370.08212	3.1
379.13089	0.3
381.14993	0.9
385.07077	1.7
409.14374	0.6
419.12698	0.9
425.13986	1.3
430.12106	0.4
447.11975	0.4
448.13034	0.8
452.29471	0.3
453.13504	1.1
458.11490	1.4
459.12100	0.5
475.11310	0.5
476.12439	39.8
477.12921	2.3
491.14786	100.0
492.15112	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61513	0.5
57.02156	1.2
57.03316	83.3
57.04353	1.3
57.04594	1.1
58.00461	0.9
59.00012	1.9
59.01242	99.2
60.01571	0.5
61.98692	0.7
62.24063	0.6
66.91943	0.5
70.99650	0.6
71.01240	25.7
72.99173	1.5
73.02802	20.1
75.00730	0.7
79.05411	0.6
81.03337	1.6
83.01237	6.6
83.01681	0.5
84.94992	0.5
85.02799	6.3
87.00735	1.9
89.02296	26.5
95.01233	1.9
95.04871	0.5
96.95875	1.5
97.06466	0.7
99.00732	0.9
99.01799	1.0
99.04375	100.0
99.07304	1.0
100.04719	1.0
100.99596	0.6
101.02302	49.6
103.61001	0.7
113.02312	14.6
113.05924	1.2
119.03364	11.1
120.04457	0.9
123.04379	6.0
125.02312	39.9
128.03474	0.7
131.03403	2.5
137.09641	1.0
141.05449	1.2
143.03401	6.0
143.04436	0.9
149.04462	3.1
149.09604	4.3
153.05484	0.7
155.03371	0.6
161.04453	7.5
168.06616	0.6
179.05540	7.4
203.05644	0.9
221.06628	1.3
329.15976	1.9
347.17154	8.0
379.04279	0.7
389.18167	9.1
429.21176	1.3
447.22534	1.0
491.21393	25.9
492.21310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46037	0.8
59.01242	1.2
60.46015	0.6
67.12914	0.6
72.77837	0.5
89.02265	0.6
89.13759	0.6
91.03868	2.1
93.03316	1.0
102.82121	0.7
108.02014	0.8
117.02549	1.3
117.03326	15.6
118.04145	0.7
119.04880	4.2
121.02818	2.3
129.03366	2.4
130.04123	5.5
133.02869	0.9
134.02637	0.5
134.03613	1.4
136.45641	0.6
145.02835	26.6
145.06442	2.1
147.04399	1.6
157.06349	0.7
158.84583	1.7
163.03897	2.5
174.03122	3.5
175.03926	3.2
185.06064	1.0
202.02676	3.6
215.03439	1.7
225.22195	3.3
226.96895	0.7
266.51529	0.7
271.22818	2.8
295.22861	7.0
327.26907	3.6
331.26590	1.3
355.26468	3.0
394.67590	0.8
399.25436	100.0
400.25745	4.1
417.26505	1.2
464.74677	0.7
486.53894	0.8
491.30194	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	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40849	0.5
53.42812	0.5
56.46024	1.0
58.17221	0.5
58.42251	0.5
59.01211	1.7
66.03613	0.5
68.84640	0.5
89.02313	0.6
91.03852	3.0
93.03278	1.5
110.42253	0.7
117.03329	21.2
118.04114	1.1
119.04106	0.8
119.04888	10.3
121.02838	3.5
123.04337	1.6
125.87199	5.8
126.87978	3.5
127.86927	4.1
128.87698	3.2
129.03328	2.8
130.04120	5.3
133.02794	1.1
134.03589	1.8
143.04837	0.7
145.02838	47.1
145.06448	2.4
146.03453	1.0
147.04433	0.8
155.88210	0.6
157.86157	1.6
157.87967	0.8
158.03532	0.8
158.07228	1.2
159.85928	1.4
162.03166	0.7
163.03920	10.6
174.03101	4.1
175.03870	3.3
178.93498	0.8
194.73862	0.6
202.02652	3.6
215.03532	1.3
219.02963	0.8
221.50926	0.6
225.22206	5.7
236.90207	0.5
253.21646	0.9
267.23392	0.6
271.22800	6.1
277.21710	1.4
295.22772	15.3
300.34686	0.7
301.25577	0.9
327.26941	4.2
331.26517	1.1
343.26788	0.6
355.26459	3.0
371.26239	0.6
381.10587	4.7
382.10944	7.4
383.10345	8.3
399.25430	100.0
400.25729	3.9
417.26544	1.9
454.13300	1.4
455.13852	3.8
456.13113	4.2
491.30219	30.6
492.30695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42599	0.3
56.46048	0.8
56.89640	0.3
59.01250	0.8
70.81716	0.3
73.48058	0.3
82.99035	0.4
89.02283	0.5
91.03889	1.7
91.72768	0.7
93.03339	0.8
110.42416	0.4
115.18063	0.4
117.03330	13.8
118.04126	1.1
119.04889	3.7
119.05480	0.3
121.02843	2.9
123.04391	0.7
125.39578	0.4
129.03307	2.4
130.04126	5.6
130.05038	0.4
132.05708	0.5
133.02861	0.8
134.03661	1.0
137.02382	0.4
143.04968	0.7
144.98042	0.4
145.02838	30.9
145.06438	1.9
147.03333	0.4
147.04417	1.4
152.28548	0.4
158.03693	0.9
158.07286	1.0
162.03247	0.6
163.03893	2.3
171.04332	0.6
174.03145	3.9
175.03914	2.6
175.15569	0.4
185.06084	0.5
202.02647	2.8
215.03429	1.9
222.08560	0.5
225.22179	2.7
271.22818	2.4
273.61057	0.4
295.22769	8.6
301.25436	0.6
327.26947	3.2
329.24924	0.8
331.26443	1.8
343.26050	0.5
355.26389	3.2
373.27380	0.5
399.25430	100.0
400.25797	3.2
417.26495	1.2
491.30173	15.9
492.30157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98301	1.6
52.79164	1.2
56.24024	1.6
59.01236	2.4
59.20906	1.3
60.28342	1.7
60.46957	1.4
81.87336	1.6
85.57417	1.4
91.03885	2.4
108.99202	1.6
117.03331	23.0
118.04077	3.2
119.04915	8.9
121.02792	3.3
125.87192	2.7
127.86884	1.6
129.03334	4.1
130.04134	5.9
138.25970	1.5
145.02829	52.3
163.03885	10.1
174.03131	5.3
175.03894	2.7
194.68922	1.9
202.02669	3.6
225.22260	6.9
226.87434	2.0
266.03705	1.9
271.22809	6.7
295.22723	14.3
327.26926	3.1
355.26407	3.0
373.27719	2.4
399.25443	100.0
400.25931	2.8
491.30167	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	492.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38987	1.0
59.01247	1.3
61.98689	1.5
62.10225	0.9
68.35120	0.9
80.64963	1.0
86.02325	2.1
90.96264	1.7
90.98449	100.0
91.72966	2.4
96.95870	1.8
178.01704	33.1
234.09119	1.3
251.23793	1.5
281.23050	2.5
295.22662	1.8
312.18365	1.3
313.23798	10.0
325.22058	2.0
342.04538	1.6
343.23267	8.7
361.24280	4.1
404.67471	1.7
405.23215	13.6
430.26151	1.8
492.26468	19.2
518.60211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49498	0.2
65.78104	0.1
72.97380	0.9
77.88198	0.1
86.02331	3.7
90.96065	1.4
90.98448	100.0
91.98801	0.3
116.01611	0.7
125.37139	0.2
125.48802	0.2
134.02614	0.3
160.00618	0.4
177.95175	0.4
178.01707	26.3
179.02016	0.2
192.29318	0.2
272.58694	0.2
278.76944	0.2
309.24341	1.7
313.23868	5.3
314.24136	0.3
325.23889	0.2
327.25394	4.7
341.21564	0.3
343.23157	11.7
344.23428	0.4
361.24200	4.3
387.22052	0.8
405.23190	10.6
406.23688	0.2
430.26340	0.8
448.27567	1.0
474.25275	0.9
492.26416	14.9
493.26572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13124	1.0
57.98573	1.0
58.67832	0.9
58.71459	1.0
59.00099	1.4
59.01242	100.0
59.02500	1.6
60.03821	1.0
66.97771	0.9
68.23200	1.0
68.79453	1.1
87.50330	1.2
105.18778	1.2
120.95846	1.1
125.90039	1.1
126.90377	84.9
143.38481	1.2
200.77034	1.2
259.47940	1.1
333.13632	1.6
422.55359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3257
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.28915	1.4
57.03313	2.5
59.13103	1.4
69.33876	1.5
71.12117	1.4
82.37894	1.6
83.01239	38.7
88.14194	1.5
101.02280	2.0
111.28587	2.0
130.79520	1.6
141.57011	1.6
141.90724	1.5
147.15724	1.5
157.04961	18.8
175.06046	4.1
196.80598	2.3
231.37366	1.8
241.11348	1.7
241.21703	100.0
399.27563	44.2
435.25095	2.4
444.33472	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	495.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53055	3.4
56.10878	3.6
59.01234	17.9
59.03286	3.3
65.00182	9.1
71.01224	12.4
72.99176	7.6
75.00758	4.8
76.83539	4.1
83.01237	9.9
85.02811	15.5
87.00707	5.0
88.98669	5.8
93.03336	6.6
95.01249	13.4
99.00738	15.7
107.01248	15.2
107.16839	3.8
111.00715	10.1
113.02303	30.2
113.44456	4.6
117.01801	5.1
117.03324	12.3
119.04895	7.8
121.02769	10.2
123.00775	4.7
125.02303	33.1
135.00827	4.3
135.04333	4.9
137.02304	13.4
139.00284	27.0
140.01035	18.7
141.01810	24.7
149.02350	15.3
151.00238	51.9
153.01839	19.2
161.02315	6.1
162.32292	5.5
163.00313	7.5
165.01865	27.1
166.99742	13.8
169.01303	13.1
175.02386	11.1
177.01889	9.2
178.99756	25.4
181.01411	22.9
182.02023	6.8
183.02916	11.5
187.03847	7.9
190.43721	4.1
191.03479	8.1
193.01358	26.2
193.03328	7.7
199.02359	7.9
209.00894	15.1
213.05544	7.3
215.03510	4.6
219.02980	4.8
229.05009	6.9
231.02953	11.5
233.04422	5.5
243.02980	5.7
245.04602	7.0
255.02960	13.4
257.04584	11.8
268.03781	12.7
269.04572	55.8
270.05029	7.0
273.04086	15.0
275.05606	5.6
283.02512	12.7
284.03256	17.7
285.04071	100.0
285.07275	3.9
301.03558	49.5
302.04321	10.5
319.04623	37.1
445.07813	12.6
495.07556	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	497.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	0.9
85.19776	0.7
91.73391	1.5
93.03333	1.0
107.04932	2.6
108.02041	2.2
109.02863	0.9
109.65007	0.8
113.18757	0.8
120.23210	0.8
121.02828	15.7
121.04279	0.8
129.95549	0.8
133.16466	0.9
136.01521	6.7
171.98314	2.4
174.01688	1.7
182.07358	1.1
183.08200	1.4
197.06038	1.7
210.06857	1.1
211.07726	3.0
225.05528	4.3
226.06319	17.3
227.07204	3.8
242.05809	1.3
258.05411	4.2
315.10342	2.0
332.10684	1.2
333.11359	11.2
439.15521	100.0
440.15836	5.4
461.13742	44.5
462.13864	2.1
497.11014	1.5
497.17224	1.8
509.13406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06264	0.1
50.39974	0.1
53.53495	0.1
59.01245	0.7
60.30987	0.1
61.97427	1.9
61.98693	100.0
62.00110	1.3
71.01231	0.2
83.68301	0.1
87.00749	0.3
96.95880	0.2
112.84003	0.1
115.00259	0.6
121.02813	1.6
122.03114	0.7
123.03361	0.2
124.03539	0.1
156.59212	0.1
159.49278	0.1
175.02405	1.6
176.02780	0.4
251.78154	0.1
272.10587	0.3
273.11176	1.1
274.11627	1.4
275.11826	1.1
275.39926	0.1
276.12265	0.4
282.14621	0.1
284.03336	0.1
285.03946	0.1
291.57730	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	498.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82173	0.2
55.43343	0.2
59.00968	0.5
59.01242	7.2
59.01515	0.6
60.43655	0.2
63.73568	0.2
67.05352	0.3
69.03339	0.3
69.47946	0.3
71.01250	1.0
78.95762	18.6
83.04882	1.0
91.72728	0.3
107.08508	0.4
113.09635	0.3
121.10120	0.4
122.00053	0.4
133.10086	0.4
133.24416	0.3
135.08052	0.3
135.11693	0.5
140.01077	6.3
152.99454	2.5
163.07474	0.3
171.00578	0.7
177.16426	0.5
196.03735	3.3
203.18018	3.8
214.04808	9.6
223.16959	0.9
229.19656	0.6
255.21172	0.6
257.22745	19.3
258.23096	0.5
271.20721	0.7
283.20615	0.6
301.21744	100.0
302.22110	5.0
439.15268	0.3
440.15771	0.4
466.59351	0.3
498.26300	14.8
499.26785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58644	0.2
57.03307	0.2
59.01243	8.9
60.05469	0.2
62.96272	0.7
67.05415	0.2
69.03313	0.3
71.01244	0.7
78.93984	0.9
78.95760	57.7
78.97791	0.7
81.03329	0.2
82.11108	0.2
83.04876	0.9
85.10551	0.2
93.06894	0.2
95.33284	0.5
95.33836	0.3
96.96864	0.4
100.14176	0.2
104.97350	0.6
117.06979	0.3
119.08566	0.3
121.10092	0.6
122.00010	2.8
122.98426	0.4
127.07583	0.2
134.98380	0.5
135.11600	0.2
140.01065	17.3
149.13290	0.5
152.99480	4.5
161.13280	0.3
163.07573	0.4
166.02676	0.7
175.14766	0.3
177.09114	0.7
196.03737	30.1
203.16122	0.4
203.18002	4.2
214.04808	8.2
215.18080	0.4
223.16989	1.0
229.19640	0.5
255.21507	0.3
257.22745	21.2
258.23138	0.8
267.04868	0.3
271.20700	0.7
283.20575	0.4
301.08517	0.9
301.21741	100.0
302.22073	3.7
306.98941	0.2
331.52255	0.6
388.19199	0.2
466.97781	0.3
498.26294	43.3
499.26709	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	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14935	0.6
53.37345	0.7
55.01750	1.5
55.42025	0.6
57.03035	1.6
57.03316	32.0
57.04503	0.7
59.00969	0.9
59.01242	11.8
60.38426	0.7
64.81773	0.7
64.83007	0.7
68.09843	0.7
70.34412	0.6
71.01236	7.5
73.02819	4.2
82.83591	0.7
83.01228	2.9
85.02807	6.7
94.61062	0.7
95.01239	1.3
96.95871	8.5
97.01291	0.6
99.00739	2.1
99.04383	9.9
101.02299	18.6
113.02307	3.1
125.02322	4.9
149.09615	2.2
163.07524	2.6
168.25510	1.1
175.07736	0.9
193.08629	30.1
263.88461	0.9
337.12955	15.4
338.49814	0.9
355.13998	100.0
356.14267	2.6
397.15070	35.8
398.15421	1.7
437.18253	8.0
499.02774	1.3
499.18283	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	500.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14562	0.4
57.61795	0.6
61.97510	1.6
61.98694	100.0
62.00068	1.6
74.55083	0.4
75.00729	0.8
80.94551	0.4
97.21992	0.5
160.33771	0.5
167.88658	0.5
168.44315	0.5
191.22520	0.5
437.13705	2.6
440.16013	1.6
462.13947	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	500.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79604	1.4
57.97425	26.9
57.97680	2.3
61.98703	3.5
63.01589	1.4
67.01112	1.5
69.70483	1.6
72.99166	15.6
96.95895	6.3
98.00553	11.0
106.04131	5.3
107.04924	6.0
109.02864	5.0
112.93588	38.0
112.94308	2.2
113.01676	3.5
121.02805	10.8
122.03648	5.1
123.00113	4.7
124.00872	25.6
124.01633	2.0
125.01658	13.5
128.03433	2.1
133.02852	4.4
140.00388	2.0
141.01144	43.4
143.04607	1.7
149.02394	2.8
150.03107	100.0
152.00986	1.9
165.01831	4.2
167.99889	15.3
168.01122	1.9
169.00668	20.1
181.06497	2.6
182.02121	62.3
185.00227	3.5
187.01746	39.9
187.03310	2.1
197.06067	2.1
199.07611	3.8
209.05930	8.5
224.04828	4.2
225.05574	13.6
227.07079	58.9
229.08693	4.8
253.05005	19.1
255.06619	77.0
261.05991	2.5
271.06116	97.8
272.06879	49.5
272.09537	3.1
273.07666	12.0
397.08545	11.8
413.08118	7.0
419.09460	5.6
423.06396	4.7
441.07614	57.4
456.16891	2.6
467.55188	1.9
501.06509	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73996	1.3
59.01237	5.5
61.98669	1.4
72.68098	1.8
74.01591	1.5
78.95753	17.0
82.04853	1.5
94.16370	1.2
113.24831	1.4
121.02754	1.5
132.33078	1.6
140.01088	2.4
151.06268	4.4
152.07072	6.9
152.99478	4.2
153.91385	1.7
171.00523	3.7
180.21469	1.5
214.04813	6.0
303.23300	100.0
304.23615	2.0
349.27502	2.7
467.16125	2.0
500.27753	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2787
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
51.94801	0.4
59.01241	5.5
61.98687	0.6
71.01232	0.8
78.95295	0.8
78.95757	15.2
78.96198	0.9
81.75617	0.4
83.04871	0.6
103.27223	0.5
134.20143	0.4
140.01067	4.7
146.53447	0.4
152.99519	1.1
158.48471	0.5
177.16455	0.6
196.03728	2.9
205.19547	1.7
207.78230	0.5
214.04794	6.0
259.24335	6.4
279.67917	0.6
303.23294	100.0
304.23743	2.8
409.90280	0.5
500.27856	12.3
528.27667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76027	0.4
59.01242	6.8
60.23354	0.3
61.98684	0.6
62.96289	0.3
65.42533	0.3
71.01221	0.5
78.93828	0.7
78.95758	45.3
78.97499	0.6
83.04887	0.7
95.86028	0.7
95.86572	0.5
96.96838	0.7
104.97323	0.4
109.06447	0.3
122.00006	1.4
122.98398	0.6
124.12799	0.3
134.98323	0.3
140.01062	11.4
152.99480	4.0
155.55270	0.3
166.02657	0.3
171.00562	0.7
177.09169	0.6
177.16444	0.4
183.92349	0.3
196.03738	20.4
205.19508	1.7
214.04826	5.4
231.21149	0.4
259.24301	6.9
285.22275	1.1
303.23300	100.0
304.23618	3.0
329.22046	0.9
412.78876	0.4
439.22467	0.4
452.24915	0.4
500.27844	39.6
501.28098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97424	1.2
59.01227	0.2
61.98702	0.2
72.99174	0.6
74.91299	0.1
78.91735	0.8
79.95587	2.5
80.96375	2.0
96.95867	1.7
97.17291	0.1
98.00562	0.5
99.04395	0.2
101.02298	0.2
107.04903	0.2
108.04434	0.2
112.90105	1.0
112.93593	100.0
112.96693	1.4
113.93530	0.3
118.97941	0.2
120.04427	3.1
121.02814	0.5
122.00575	0.2
122.03588	0.2
123.00060	0.2
124.00903	1.0
125.01654	0.2
125.02476	0.2
133.02814	0.2
135.04321	0.1
138.05515	0.5
138.99561	0.2
141.01180	1.5
141.22372	0.1
142.01503	0.3
147.03178	0.3
150.00073	1.9
150.03119	3.3
150.05533	0.7
151.00797	0.2
151.03517	0.5
152.01675	0.3
164.01598	0.2
165.01921	0.2
166.05101	0.2
167.99893	0.6
168.06578	1.3
169.00650	0.7
169.64005	0.2
170.00925	0.1
177.99580	1.9
182.02127	2.2
183.02507	0.4
186.00955	0.2
187.01772	1.2
187.41365	0.2
188.02054	0.2
196.00688	0.2
206.04523	1.0
209.06131	0.2
225.05540	0.6
226.05801	0.2
227.07094	1.4
228.07524	0.6
238.01808	1.9
250.01793	0.5
251.08051	0.2
253.05080	0.8
254.05400	0.3
255.06610	2.3
256.07004	0.8
271.06070	2.4
272.06659	2.4
273.07294	1.0
274.08044	0.2
283.05435	0.5
297.09076	0.3
301.06461	0.4
303.08206	0.2
311.04977	0.2
313.06839	0.2
331.07663	1.6
332.08313	0.4
355.09460	0.3
359.07080	1.5
387.07031	0.2
387.11990	0.7
397.08725	0.3
398.09024	0.2
401.08093	0.6
403.09790	0.2
419.09238	7.4
420.09921	0.2
421.10806	0.9
441.07541	1.3
442.07828	1.0
483.05438	1.3
501.06461	11.7
502.06473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0646
Annotation	Bazzanin K
Peak:m/z	Relative Intensity
51.11761	0.2
56.50777	0.2
57.03346	0.2
57.44749	0.1
59.01231	0.2
60.88795	0.2
61.98692	0.2
62.80775	0.2
63.03088	0.2
70.04038	0.2
79.95586	2.8
80.90805	0.2
80.96376	1.4
96.95869	0.5
108.90040	0.2
109.13158	0.2
112.93591	100.0
112.96659	1.5
113.93510	0.4
118.98003	0.2
120.04420	2.7
128.03429	0.3
132.04382	0.2
138.05504	0.4
148.03937	0.3
150.00040	1.1
150.05484	0.6
151.00879	0.3
151.65260	0.2
152.01599	0.2
168.06532	1.0
177.99626	1.0
206.04510	1.5
223.09079	0.2
238.01811	0.7
262.68045	0.2
280.03946	0.2
280.45792	0.2
297.08765	0.2
308.03497	0.3
323.05762	0.5
327.09488	0.3
331.07599	0.6
338.07956	0.5
359.07092	0.9
387.07321	0.4
387.11813	1.2
401.08133	0.6
401.60724	0.2
419.09232	5.1
421.10587	0.3
483.05753	1.6
501.06497	9.5
501.13333	0.5
502.06924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14821	0.5
78.95762	100.0
78.97620	1.2
96.95866	1.4
96.96821	30.3
102.93482	0.7
105.66628	0.6
128.03406	1.6
207.96539	0.6
217.10158	0.8
229.42094	0.7
277.12308	0.8
281.32477	1.5
286.29495	0.7
349.87698	0.7
357.08929	50.7
358.09265	1.1
399.10046	5.5
439.13379	2.0
488.28247	0.8
501.13162	14.9
501.20206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02079	0.5
57.03316	39.0
57.04424	1.1
57.85528	0.4
58.99922	0.9
59.01243	100.0
59.02403	1.9
71.01238	21.3
72.82256	0.4
73.02808	5.6
80.66995	0.6
81.03321	2.0
83.01231	3.0
85.02796	6.7
87.00723	1.1
89.02300	17.6
89.02843	1.2
90.14486	0.5
91.73349	0.9
95.01220	1.3
99.00726	1.4
99.04375	70.8
100.04710	0.7
100.99403	0.6
101.02306	27.8
113.02305	11.7
119.03374	6.2
125.02312	41.7
125.05926	0.6
133.10091	1.1
143.03383	3.6
143.45477	0.6
149.04436	0.6
151.11049	0.6
159.02895	0.9
161.04431	10.5
177.09108	2.9
179.05470	2.0
195.10228	4.2
260.87830	0.6
269.04578	1.2
339.14545	3.6
347.54910	0.6
357.15558	22.5
358.15802	1.0
384.09976	0.6
399.16617	21.8
400.16769	0.9
439.19775	2.5
445.07336	1.1
457.20813	4.9
501.19843	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49313	1.1
57.03317	40.9
57.04541	1.6
59.00109	1.8
59.01242	100.0
59.02488	1.7
60.05791	1.1
71.01237	16.3
73.02799	3.6
73.61932	1.2
73.73816	1.5
83.01261	2.4
83.76221	1.6
85.02805	6.0
89.02296	15.1
94.52462	1.3
95.79598	1.3
96.95870	4.2
99.00774	1.4
99.01947	1.3
99.04376	81.0
101.02303	20.2
112.93591	1.5
113.02325	6.6
114.93176	5.0
117.55546	1.2
118.97979	2.3
119.03366	5.9
125.01442	2.8
125.02318	43.6
125.03239	2.2
128.03395	10.8
143.03406	4.8
160.03876	1.7
161.04451	7.8
171.07695	2.6
177.09116	3.4
189.12724	1.9
195.10199	2.0
204.02980	2.4
249.05521	4.8
288.34491	1.4
322.04211	1.6
339.14523	4.7
357.08563	1.8
357.15540	19.0
399.16547	19.1
457.20908	6.8
501.19662	12.0
524.16516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45422	0.2
61.77098	0.3
61.97234	0.9
61.98693	100.0
61.99957	1.9
66.85973	0.3
69.45653	0.2
70.21233	0.2
124.45274	0.2
139.38120	0.2
155.94171	0.2
389.54343	0.3
520.18207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46667	1.3
50.46877	0.5
50.65869	0.3
57.03321	0.3
59.01241	0.5
61.98685	0.7
70.28436	0.2
84.61092	0.3
87.00665	0.3
91.01779	0.4
96.95878	1.1
99.04375	0.4
101.02313	0.4
105.03318	0.3
108.02032	0.3
109.00359	0.3
109.02808	4.0
112.93633	0.6
114.93184	1.2
117.03336	1.0
119.98273	0.5
121.02819	1.6
123.04397	0.8
125.02333	0.3
132.70465	0.3
133.02809	0.6
135.68071	0.3
145.02834	13.0
146.03616	79.1
146.08035	0.9
147.03993	1.4
158.03618	1.5
159.04439	2.4
160.05185	7.7
161.02316	0.6
161.05974	17.4
173.05984	1.2
175.03860	0.5
175.07553	0.4
190.21130	0.3
211.07570	0.4
221.06041	0.6
238.06294	0.4
239.07182	2.5
249.05458	1.7
250.06310	2.4
251.07164	1.1
265.04977	0.5
265.08728	0.5
266.05930	2.4
267.06638	13.1
268.07202	0.3
280.07535	0.5
281.08185	3.3
282.08981	13.1
283.09506	0.6
296.96817	0.8
297.11325	100.0
298.11697	3.1
341.10312	16.7
342.10464	0.7
395.65915	0.3
458.23990	0.4
460.17862	0.3
503.15146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46666	0.9
53.42594	0.2
59.01240	0.4
71.01235	0.4
73.02837	0.4
74.64812	0.3
79.61234	0.2
92.13196	0.2
93.03339	0.2
96.95876	0.4
101.02319	0.5
108.02043	0.6
109.02819	2.3
113.02323	0.2
114.93140	0.6
117.03275	1.0
119.98209	0.4
121.02834	1.3
123.04383	0.6
125.02308	0.2
133.02814	0.7
136.05180	0.4
137.05939	0.2
145.02831	14.1
145.98491	0.6
146.03618	77.2
146.08052	0.9
147.04012	0.8
150.39438	0.2
151.49854	0.2
158.03606	0.9
159.04384	1.4
160.01595	0.7
160.05191	8.4
160.10487	0.2
161.02333	0.5
161.05974	17.8
173.05992	0.6
175.03879	0.3
175.07539	0.4
186.84680	0.2
196.60194	0.2
205.04822	0.3
209.06023	0.3
210.06801	0.4
211.07607	0.3
221.06087	0.5
222.06816	0.8
230.87973	0.2
231.57057	0.2
237.05302	0.3
238.06259	1.5
239.07111	1.9
249.05586	1.3
250.06387	1.4
251.07170	0.5
253.08734	0.5
261.49805	0.2
265.05060	0.9
265.08591	0.2
266.05859	3.3
267.06631	9.2
280.07385	0.4
281.08212	3.1
282.08994	10.0
282.12213	0.5
283.09689	0.5
297.11322	100.0
298.11578	2.1
341.10327	16.7
408.60883	0.4
458.36737	0.2
503.15652	2.5
520.27405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02166	1.3
57.03313	67.1
58.03659	0.7
58.43390	0.6
59.00032	1.9
59.01239	100.0
59.02316	1.2
59.02575	1.1
62.91158	0.6
67.96104	0.6
71.01234	20.7
73.02793	4.6
81.03305	2.1
83.01247	2.5
83.59604	0.6
85.02805	8.3
87.00733	0.7
89.02295	15.2
95.01228	1.5
96.95889	1.2
99.00721	1.6
99.01781	1.4
99.04371	91.2
101.02297	33.0
113.02303	10.9
119.03355	6.1
125.02308	39.3
131.03418	1.6
143.03401	3.6
143.87248	0.8
159.02908	1.4
161.04448	9.4
179.05513	0.8
179.10678	3.0
217.05045	1.1
267.06534	0.8
280.42377	0.8
282.15393	0.7
287.12912	0.7
340.09204	1.0
341.10190	2.6
341.16019	1.4
359.12622	1.7
359.17105	32.9
401.18140	15.6
441.21179	1.8
459.22299	2.2
503.21487	21.3
504.21439	1.2
524.08459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60161	1.5
57.03316	73.3
57.04482	1.4
59.00094	1.6
59.01242	100.0
59.02482	2.2
59.91288	1.0
60.10898	1.1
61.14663	1.2
63.50841	1.0
65.00180	1.2
71.01239	23.0
73.02813	7.2
75.00690	1.1
76.30114	1.4
81.03322	1.5
83.01235	2.9
85.02812	8.7
87.00714	1.3
89.02286	13.9
96.95891	2.7
99.00755	2.4
99.04375	87.8
101.02300	36.0
113.02319	11.1
119.03365	3.9
125.02310	40.2
128.03401	2.5
129.76465	1.5
143.03389	5.0
144.21664	1.3
159.02858	1.2
161.04446	11.6
161.09610	3.1
161.54735	1.5
179.05573	2.1
179.10677	11.0
217.04980	2.8
265.05103	3.0
266.05841	4.1
267.06561	9.1
281.08209	4.2
282.08969	6.1
294.05383	2.1
297.11383	7.0
309.07605	2.5
325.07217	5.3
340.09558	5.5
341.10303	18.8
341.15955	2.5
359.17160	31.7
394.74249	1.7
401.18246	15.6
441.21677	2.2
443.12387	1.5
453.98605	1.5
503.15091	10.4
503.21759	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02155	1.4
57.03317	86.2
59.00022	2.0
59.01243	98.3
59.02326	1.4
59.02581	1.0
69.03317	2.1
70.99599	0.9
71.01240	39.6
72.99154	1.5
73.02805	20.0
81.03310	2.3
83.01241	9.4
85.02309	0.8
85.02805	15.1
87.00740	2.8
89.01751	1.9
89.02296	30.1
95.01231	1.6
97.02786	1.6
97.06435	2.9
97.31370	0.7
99.00729	4.5
99.04380	33.8
100.99534	1.3
101.02304	70.2
105.02542	0.9
113.02310	23.3
113.05922	1.7
115.00227	2.1
119.03374	12.6
119.08526	2.7
123.04390	6.0
125.02306	9.6
130.58981	0.8
131.03371	2.7
131.08528	1.1
141.05443	1.2
143.03413	4.1
149.04408	2.6
159.02922	2.2
161.04462	16.0
166.87970	1.3
175.02385	2.8
179.05493	5.7
179.10715	4.5
267.06534	1.0
315.18167	20.6
325.07062	1.0
341.15976	1.3
359.17148	100.0
360.17316	1.9
401.18192	51.5
430.49118	1.0
441.21292	14.0
503.14227	1.7
503.21411	34.2
504.21823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67475	1.1
54.63853	1.1
57.03306	1.0
58.00443	3.9
59.01241	62.9
59.02583	1.3
64.15373	1.1
65.52940	1.2
69.11122	1.0
70.32683	1.1
71.00873	2.5
71.01237	32.1
73.02796	1.3
77.62228	1.2
85.02808	5.5
87.00719	2.3
89.02297	40.1
91.72741	1.6
95.01228	3.0
96.21296	1.3
101.02306	20.2
104.65654	1.1
113.02321	11.5
119.03362	17.8
125.07556	1.4
127.07500	3.6
131.03314	2.6
143.03421	1.8
149.04422	2.2
150.96983	1.4
161.04445	2.0
179.05504	3.6
187.04329	1.4
195.13861	5.0
200.93054	1.6
242.33031	1.3
253.14388	2.6
323.22299	100.0
324.22684	2.6
414.19138	1.9
434.25861	1.5
482.48593	1.6
503.28638	47.5
504.29099	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	505.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
61.98676	0.2
67.63655	0.2
71.01233	0.2
78.51754	0.2
78.95763	1.6
79.95597	1.7
96.93165	1.3
96.95872	100.0
96.96755	3.6
96.98221	1.3
97.95777	0.2
98.95444	0.5
112.93597	0.3
115.00211	0.2
121.02807	0.3
122.03577	0.3
123.04408	1.2
128.37178	0.2
150.48175	0.2
175.02327	0.3
245.08080	1.1
245.75420	0.2
283.03876	0.4
315.01813	0.2
343.04895	0.4
344.81598	0.2
407.13419	0.6
467.52191	0.2
508.29327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84652	0.6
53.61710	0.7
55.29000	0.8
58.18594	0.7
59.01245	1.6
75.65324	0.8
99.18221	0.9
120.99319	1.5
121.02817	100.0
122.03235	0.9
146.64409	0.9
180.05762	1.7
181.06496	3.1
197.06050	3.6
207.04480	1.3
225.05632	3.0
303.26913	0.9
313.07123	4.7
384.71643	1.0
417.09799	11.7
423.15994	4.7
436.34497	1.1
505.11310	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	505.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64383	0.2
57.03306	0.9
59.01247	1.5
60.90310	0.2
61.98665	0.3
71.01235	0.3
78.65447	0.2
78.95753	0.5
79.95588	2.3
83.98704	0.2
85.62434	0.2
89.32639	0.2
96.93406	1.6
96.95869	100.0
96.98667	0.9
99.04395	1.5
101.02321	0.6
111.39450	0.2
114.93279	0.8
119.04859	0.4
125.02316	0.8
126.82538	0.3
127.07971	0.2
128.03484	0.3
147.70560	0.2
161.04436	0.3
163.03870	0.3
179.03136	1.1
224.97052	0.3
258.94669	0.2
263.11407	0.4
305.12558	0.3
341.79532	0.2
343.07150	0.6
407.15604	0.9
505.08115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11077	0.4
56.54083	0.4
57.03316	1.3
59.00974	0.7
59.01244	9.5
63.01962	0.5
71.01238	13.9
72.99155	1.6
73.02808	1.0
83.01229	2.2
85.02809	1.6
87.00731	23.9
96.95868	3.7
99.00735	1.0
99.04379	0.9
101.02293	0.9
110.02293	0.7
111.00752	2.6
112.98665	0.8
113.02305	1.8
115.00237	47.4
127.00201	1.0
127.04984	0.5
128.03416	1.5
131.44620	0.5
139.00247	7.2
139.51830	0.5
157.01320	12.4
175.02388	100.0
175.08374	1.2
176.02702	0.8
226.07434	2.8
241.09827	16.6
243.11330	2.2
252.08826	0.7
255.11363	1.0
267.11389	10.0
269.09274	0.9
271.10837	3.0
284.61603	0.5
297.12491	1.3
299.10376	2.6
301.11755	0.8
325.11975	0.8
327.09967	1.3
327.13507	2.1
327.76904	0.6
329.11465	4.2
343.12860	0.7
355.13190	2.8
371.12347	1.2
381.14630	0.8
387.12024	4.1
443.14523	3.5
445.12585	3.4
469.12704	0.7
481.46329	0.7
487.13718	1.1
505.14191	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	505.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57154	0.6
57.03304	1.4
58.10118	0.6
59.00973	0.7
59.01242	8.9
60.32573	0.6
60.60937	0.6
61.98701	0.8
66.50438	0.6
71.01244	12.3
72.99158	1.3
73.02802	1.3
75.99316	0.6
76.33246	0.6
80.07928	0.7
80.08368	0.7
83.01229	2.3
85.02798	1.2
85.19419	0.6
87.00735	20.5
96.95874	3.1
99.04368	1.4
111.00764	3.3
113.02304	1.7
115.00239	47.2
128.03360	1.3
139.00226	5.9
157.01331	12.3
164.07164	0.7
174.05525	0.8
175.02394	100.0
186.04251	0.8
226.07491	2.7
241.09811	18.0
243.11256	1.5
252.09099	1.3
267.11392	9.7
271.10931	2.9
297.12415	0.9
299.10370	2.5
301.11627	0.9
327.09964	1.9
327.13672	1.6
329.11423	5.2
343.13055	1.3
345.10907	0.8
355.12991	1.9
371.12488	1.1
383.12726	0.9
387.12024	4.9
425.13800	0.9
443.14667	3.2
445.12408	4.6
487.13147	1.1
505.14584	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	505.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85324	0.2
59.58523	0.2
74.47556	0.2
80.91553	0.8
92.58743	0.2
93.03319	1.0
95.52225	0.2
108.02038	0.8
119.04903	0.4
121.02814	3.3
123.04370	0.6
126.71648	0.2
142.67377	0.2
159.11337	0.3
164.40074	0.2
169.06607	0.3
181.06540	1.2
182.07323	0.7
183.08147	0.6
194.07286	1.5
195.08067	3.1
196.05269	0.7
197.06021	1.2
198.06767	1.4
207.08125	1.5
209.06036	2.8
210.06801	3.6
211.07573	0.9
212.08380	1.8
220.02948	0.2
223.07718	0.5
224.08397	1.4
242.05769	0.4
244.07419	0.8
256.07397	0.4
261.04343	0.2
283.11307	0.5
287.11026	0.2
297.09082	0.4
298.09818	0.3
299.10785	6.3
300.11407	0.3
315.10300	0.3
316.11029	0.4
317.08365	0.3
317.11804	2.7
340.05798	0.3
377.15527	0.4
405.14987	7.5
415.11832	0.7
423.16058	100.0
424.16422	6.2
443.11273	0.3
444.12289	2.4
445.14169	3.4
463.14246	0.8
476.11142	0.9
505.08395	0.2
505.15051	4.9
506.08099	0.4
506.15396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43835	0.3
51.31824	0.4
53.57923	0.4
57.03284	0.4
58.49540	0.5
59.01238	1.4
70.99557	0.5
71.01232	5.3
72.86697	0.8
72.87044	0.6
73.02801	1.8
78.48643	0.4
82.67426	0.5
83.01215	0.5
84.59545	0.5
85.02814	3.2
93.03307	0.6
95.01230	0.9
96.95844	0.9
101.02290	2.5
108.02023	2.2
109.02818	5.2
113.02290	2.7
116.37841	0.5
118.97983	1.0
119.04931	0.7
121.02824	1.6
123.04397	1.6
135.04408	1.4
145.06410	1.1
147.04385	5.4
148.05212	3.4
156.00891	0.7
159.04416	1.4
160.05147	1.9
161.04469	2.7
161.05977	11.7
162.06754	1.6
175.07591	1.5
207.06473	1.2
238.67267	0.5
241.08662	3.4
243.10188	0.7
244.85873	0.5
247.43239	0.5
255.10278	1.9
266.09491	3.7
269.08200	11.4
283.09723	1.7
284.10550	43.1
285.10843	1.1
299.12891	100.0
300.13251	2.3
310.62878	0.6
321.51123	0.6
335.80447	0.5
387.48096	0.6
461.19128	0.6
505.27359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43794	2.2
53.44257	2.3
55.95797	2.6
57.03314	48.3
57.25673	2.1
57.41327	2.2
59.01242	84.4
61.98697	3.4
62.02846	2.1
62.08314	2.0
67.98179	2.2
71.01235	33.7
72.30733	3.0
73.02811	25.2
80.35699	2.7
81.03280	5.3
82.95278	12.0
83.01234	6.9
85.02814	8.8
87.00742	5.7
89.02296	39.7
96.95865	23.1
99.04379	38.1
101.02308	54.3
107.94481	2.6
113.02318	25.2
113.05936	5.5
115.00245	11.6
119.03378	20.0
123.04398	15.2
125.02320	20.1
125.31850	2.8
128.03429	9.2
131.03358	5.3
135.44189	3.1
136.05180	5.9
141.05399	4.1
143.03386	4.0
146.05977	4.2
149.04463	8.0
151.07532	100.0
161.04453	26.3
175.02435	16.4
179.05522	42.5
181.08685	6.3
192.06622	6.0
202.16145	2.9
221.06657	6.8
263.07852	4.7
277.12228	7.4
323.10016	14.5
347.08875	4.1
349.08206	4.1
361.15082	7.2
371.12524	10.6
487.18539	3.5
505.19119	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53506	2.7
54.61354	2.4
55.35963	2.6
56.25838	2.4
57.03030	6.1
57.03316	100.0
59.00974	4.9
59.01243	70.7
61.98681	15.1
63.18921	2.7
69.44791	2.7
71.01244	24.0
73.02800	29.4
81.03294	4.5
83.01248	10.1
85.02811	6.8
85.20518	2.7
89.02304	19.1
89.94466	2.5
91.72665	3.2
96.95904	3.6
97.06423	5.2
99.04378	94.8
99.05001	6.2
101.02303	62.0
113.02316	13.6
113.05930	5.8
117.16971	2.9
118.97977	11.4
119.03388	10.3
123.04390	24.9
125.02313	35.6
126.09069	3.2
140.57310	3.0
142.56972	3.6
143.03432	9.7
149.04446	8.9
152.07050	3.6
161.04446	22.5
179.05536	7.7
221.06676	3.8
263.42621	3.7
292.91422	3.8
487.21906	36.9
505.22421	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	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.01899	0.7
54.92472	0.8
55.93438	0.7
59.01229	4.2
63.23235	0.8
67.35561	1.0
74.46706	0.8
74.69513	0.8
78.95761	26.8
79.59595	0.8
82.16779	0.8
82.63375	0.9
96.95870	0.9
96.96823	2.4
121.23095	0.8
121.43783	0.8
130.51096	0.9
150.97923	1.0
152.99478	48.4
171.00574	1.1
225.98755	0.9
227.03154	4.9
245.04211	1.4
277.21735	100.0
278.21829	1.4
363.10284	1.2
423.15955	4.4
505.25778	68.6
506.26196	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39553	0.2
59.01243	0.3
61.98702	0.2
67.15898	0.2
79.95586	1.7
91.14250	0.2
91.72652	0.4
96.93290	1.2
96.95870	100.0
101.02290	0.2
102.05484	0.2
109.49963	0.2
120.06097	0.2
128.03397	0.7
152.06990	0.4
173.29129	0.2
183.99153	0.4
198.97954	0.3
203.81541	0.2
206.74016	0.2
254.87982	0.2
314.07254	0.2
360.09421	0.3
384.14810	0.3
402.16061	0.9
408.20331	1.0
428.13986	1.4
446.14969	7.1
464.16077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71724	0.2
71.98505	0.3
73.53380	0.2
79.95586	2.2
80.23096	0.3
80.46583	0.2
82.95245	0.3
96.93291	1.5
96.95870	100.0
98.02325	0.3
102.05492	0.5
128.03395	0.7
161.59320	0.3
164.76144	0.3
183.99245	0.6
408.20267	0.8
428.13971	0.7
446.15039	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	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54137	1.2
56.23656	1.0
57.20554	1.1
59.01242	34.7
71.00868	2.0
71.01241	26.7
72.00760	14.3
72.99175	1.2
78.95760	1.1
85.02801	4.3
87.00764	1.2
88.98586	1.1
89.02296	48.3
96.95865	1.9
101.02296	15.6
113.02312	12.9
119.03363	15.8
131.03342	1.5
143.03391	2.2
147.04405	47.1
149.04359	1.3
158.92419	1.1
161.04469	4.3
164.07066	98.0
179.05518	24.8
188.78325	1.1
239.36589	1.1
336.16599	1.1
341.10895	100.0
342.11066	1.6
434.95520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.8
59.00969	0.4
59.01242	5.1
60.04706	0.3
61.98693	43.3
61.99979	0.9
63.02249	1.5
65.00180	0.6
69.20113	0.3
71.01238	4.5
72.99150	1.1
73.02779	0.4
74.10204	0.3
75.00743	2.6
76.84898	0.4
81.51883	0.4
83.01234	0.4
84.01981	0.4
85.02806	11.7
87.00723	1.7
87.98151	0.3
89.02287	1.0
94.33286	0.3
95.01226	2.2
99.00742	3.3
101.02290	0.4
103.00219	2.0
107.01229	1.1
113.02309	24.2
115.00186	0.9
117.01779	1.2
117.03330	3.5
126.45078	0.4
129.01799	0.7
149.02312	1.4
151.00252	1.5
157.01283	0.5
159.04376	1.5
161.02327	0.9
169.01288	0.3
175.02397	10.4
181.06409	0.6
183.04436	0.7
201.05550	1.0
225.05525	1.1
227.03436	0.6
229.23302	1.2
268.04044	0.5
269.04568	100.0
269.88959	0.4
270.04895	2.9
296.16269	0.5
445.07773	12.6
508.27701	1.1
509.43246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73089	0.3
55.01778	0.4
57.03290	0.4
59.01241	4.5
61.98693	43.2
61.99942	0.9
63.02248	1.3
65.00175	0.7
71.01237	4.4
72.99162	1.2
74.10075	0.4
75.00735	2.3
76.17893	0.3
83.01208	0.4
85.02804	9.7
87.00722	1.9
89.02300	1.5
91.73392	0.6
93.93878	0.3
95.01231	2.0
99.00735	3.5
103.00230	2.0
107.01243	1.6
113.02307	24.0
115.00204	0.7
117.01789	1.5
117.03300	2.9
129.01794	1.1
149.02324	1.5
151.00272	1.4
159.04404	1.2
160.96184	0.4
161.02310	0.6
169.06430	0.4
175.02386	9.5
181.06538	0.6
183.04439	0.5
197.05977	0.6
201.05392	0.5
225.05472	1.8
227.03586	0.7
229.23384	1.2
266.73489	0.5
269.04572	100.0
270.04941	1.7
324.58176	0.4
387.06796	0.4
445.07751	12.3
446.07889	0.6
508.27576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96391	1.1
51.26278	1.5
56.36900	1.3
61.98687	1.9
63.88546	1.3
69.73372	1.3
84.96164	1.4
86.13404	1.5
96.95882	3.5
104.64850	1.3
108.04389	2.9
120.01118	15.2
120.04417	37.2
125.02220	1.6
128.03378	1.6
132.04460	2.3
136.03897	2.7
138.05475	4.1
147.03177	8.1
148.03915	5.7
150.05515	8.5
150.83310	1.7
163.02603	3.5
164.07045	4.3
168.06526	12.4
173.98241	1.7
206.04520	28.4
235.08702	1.7
251.08191	2.7
263.08456	2.2
265.06241	4.1
266.07062	3.3
267.07529	2.1
267.11368	2.4
279.07764	4.3
281.09247	3.9
297.08630	3.2
297.36682	2.0
311.10400	5.2
313.11905	12.9
327.09927	8.9
343.13037	6.1
355.09305	5.2
359.12234	1.9
369.10944	7.2
387.12012	100.0
421.10669	3.5
508.14136	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	508.341
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.01746	1.9
55.02008	1.0
57.03311	2.0
58.96764	1.2
62.19970	1.0
72.95409	1.2
83.01244	34.9
85.02811	1.4
91.72869	1.4
101.02311	1.6
154.79892	1.4
157.04953	16.8
175.06029	3.2
255.23296	100.0
275.99930	1.4
413.29102	49.5
414.29224	2.1
449.26889	2.3
458.35193	2.8
504.48584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64529	4.9
59.01235	19.1
60.12152	5.1
62.69073	5.1
71.01221	8.2
72.99181	7.3
77.87021	4.9
85.02788	8.9
87.13898	6.1
95.01229	9.3
102.13846	6.2
102.66341	5.8
108.02071	9.4
109.02819	15.7
113.02320	17.6
118.55029	7.0
124.01540	6.8
125.02284	17.1
133.02834	18.6
137.02348	21.3
143.38641	6.3
149.02263	10.2
149.85207	6.9
151.00252	25.3
152.01070	9.6
153.01862	16.2
163.00229	9.3
165.01724	14.9
169.01338	10.5
175.03928	10.5
176.15482	6.4
177.01869	25.9
181.01427	11.7
193.01411	9.2
209.00891	8.6
217.05005	7.3
219.02943	15.6
225.00345	13.6
227.03551	8.4
265.30331	7.8
271.02579	13.4
273.04068	7.4
285.04050	100.0
299.01993	10.1
301.03568	25.6
306.32764	6.7
317.03040	19.1
317.47510	7.9
335.04062	9.8
431.69525	7.4
454.05396	7.8
461.07178	33.9
474.57315	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.255
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
59.01244	38.7
65.02065	2.3
70.43054	2.5
70.77537	2.5
71.01241	23.6
73.02799	6.2
74.87451	2.6
83.01270	4.3
84.15863	2.9
85.02800	11.0
89.02311	23.0
91.73230	3.3
96.95831	4.3
101.02304	22.6
111.04379	8.5
113.02295	9.1
119.03373	6.5
197.53294	3.1
226.97627	3.9
270.71289	3.3
271.17337	4.2
272.26276	3.2
287.20178	53.7
305.21082	5.1
331.19067	17.1
349.20270	16.0
467.26501	22.7
511.25507	100.0
531.10785	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15757	0.1
56.21610	0.1
58.02857	0.1
58.99963	0.7
59.01242	46.3
59.02361	0.8
60.01577	0.2
70.99493	0.1
76.40572	0.1
81.03313	3.5
82.06502	0.2
83.04878	12.0
90.39492	0.2
107.06026	0.3
108.04435	0.5
114.79299	0.1
125.07069	1.7
126.05457	0.3
143.08130	0.9
144.79343	0.2
207.14995	1.7
208.13417	0.2
224.17657	2.9
225.16046	9.3
242.18686	0.8
250.15631	0.2
268.16501	0.2
290.22256	0.3
307.23987	0.2
309.21793	0.4
324.26517	1.0
333.22974	2.7
351.24039	0.7
367.27173	1.4
385.28235	0.2
390.60538	0.1
397.72858	0.1
433.31870	5.9
434.32104	0.3
451.32925	100.0
452.33243	4.5
472.81149	0.1
478.34332	0.2
511.34985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	6.4
61.98693	2.2
64.36571	1.3
66.34734	1.3
78.95290	3.0
78.95757	50.7
79.98897	1.4
80.02530	2.7
81.03360	1.7
95.04884	2.5
109.06454	3.2
121.02847	1.9
121.06416	1.6
121.99928	1.9
125.32864	1.7
133.28743	1.6
140.01074	16.0
149.09579	3.2
152.99446	5.0
163.11179	30.6
165.12708	12.6
176.35674	1.6
189.12770	10.4
196.03711	31.6
199.76750	1.6
200.81940	1.7
203.14217	2.6
214.04759	11.7
217.15935	32.2
243.17529	4.2
271.20694	27.8
297.18399	2.5
315.19684	100.0
316.20096	4.9
434.81937	1.8
452.15262	6.8
474.13181	2.2
512.11743	2.8
512.24188	73.9
513.24402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1553
Annotation	Toddasiatin
Peak:m/z	Relative Intensity
62.23688	1.6
65.07736	1.6
69.26566	1.5
69.98371	1.7
71.23573	1.5
71.63592	1.4
74.37521	1.5
75.53781	1.4
86.12769	2.1
93.03319	2.5
106.04106	4.8
107.04880	25.6
116.13738	2.0
121.02814	50.3
122.03626	2.4
133.02811	5.4
150.03102	2.2
182.02135	2.6
185.92340	1.9
197.05907	2.0
209.06018	5.4
210.06760	5.0
211.07561	15.4
213.09213	5.4
223.07646	2.4
225.05505	6.7
227.07143	2.6
228.07964	4.5
253.05077	8.3
254.05824	3.9
305.11832	5.7
315.10428	4.6
317.11838	7.6
318.12659	3.1
350.11676	6.5
407.16333	10.5
423.16122	5.0
425.17654	26.0
433.14276	2.5
439.15784	5.4
451.15491	8.8
469.16586	100.0
470.16977	4.3
513.15521	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	513.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45922	0.7
55.79268	0.7
57.02095	1.5
57.03315	100.0
59.01241	67.6
59.02399	1.1
67.39407	0.9
71.01238	23.7
72.53753	0.8
73.02804	36.0
79.05390	2.3
81.03316	3.8
83.01234	9.2
84.60035	0.9
85.02801	5.3
87.00712	1.1
89.02292	16.4
91.73074	1.7
95.01265	1.3
95.04874	1.1
97.02815	1.4
97.06445	2.7
99.01587	1.2
99.04374	96.3
99.06913	1.4
101.02298	60.3
109.06452	1.6
113.02313	19.7
113.05969	4.8
119.03377	8.5
123.04382	24.2
125.02312	37.6
131.03380	3.5
141.05461	5.4
143.03380	9.4
149.04427	8.5
153.05453	3.8
155.03378	1.7
161.04443	16.4
171.06541	1.0
179.05527	4.8
189.07664	1.2
189.40767	1.2
203.05568	2.0
221.06630	4.1
262.09229	1.1
388.20456	1.1
509.87122	1.1
513.23431	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39740	0.4
57.02291	1.1
57.03318	100.0
57.04481	1.7
58.00461	0.6
59.00158	1.1
59.01244	73.8
59.02457	1.3
69.03313	1.6
71.01239	28.5
72.99165	1.4
73.02805	39.3
73.04492	0.5
75.00723	1.1
75.04074	0.5
79.05386	2.8
81.03318	5.0
83.01237	11.1
83.04871	0.5
85.02810	6.0
87.00730	1.0
89.02300	18.0
95.01227	1.5
95.04884	1.5
97.02809	0.9
97.06420	2.7
99.04376	96.2
99.06988	1.2
101.02303	63.0
101.11446	0.4
107.78621	0.5
108.02059	0.5
109.06448	1.9
111.00682	0.6
113.02308	18.2
113.05968	5.0
116.75684	0.4
119.03359	7.3
123.04395	28.8
125.02316	39.5
125.05999	0.8
131.03381	3.9
141.05460	4.6
143.03397	6.7
147.02820	0.6
149.04434	5.0
153.05434	4.3
155.03365	1.0
161.04465	12.9
171.06525	0.7
179.05524	4.0
183.06480	0.7
201.07625	1.2
203.05492	0.9
216.09204	0.5
221.06541	1.6
231.16721	0.5
252.83899	0.6
440.53387	0.6
513.23438	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	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55646	1.0
57.03318	100.0
57.04408	1.9
59.01242	88.0
62.83121	1.1
68.46347	1.1
69.03318	1.5
71.01240	32.8
72.99144	1.2
73.02394	3.1
73.02802	50.8
79.05409	3.3
81.03320	5.2
83.01243	12.2
84.52840	1.3
85.02813	5.9
87.74495	1.3
89.02307	20.4
91.72641	2.3
95.01244	2.5
97.02837	1.2
97.06467	3.6
99.02122	1.6
99.04376	96.2
101.02305	73.0
108.02063	1.4
109.06484	2.5
110.58826	1.2
110.67220	1.2
113.02307	25.8
113.05947	4.9
119.03363	11.3
123.04395	32.3
125.02310	46.5
129.86975	1.5
131.03398	3.6
141.05464	4.5
143.03387	10.1
149.04443	5.9
153.05450	6.7
161.04457	28.6
164.06943	1.4
179.05560	7.0
185.66837	1.3
203.05562	1.9
221.06618	2.6
263.07709	4.9
288.89093	1.7
298.30331	1.5
323.10049	3.0
339.00317	1.7
491.07141	1.5
513.23297	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	513.2705
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
50.48792	1.6
53.30973	1.5
57.02882	3.6
57.03322	38.9
59.01243	61.8
66.07960	1.5
66.72819	1.8
71.01241	24.7
72.99199	1.7
73.02803	24.8
75.57710	1.6
75.98245	1.9
80.21244	1.9
83.01254	5.4
85.02821	7.5
89.02308	23.6
99.04378	40.2
101.02298	39.2
108.35378	1.9
112.36850	1.7
113.02330	12.5
119.03374	8.0
123.04416	10.6
125.02306	15.8
128.03438	5.2
143.03395	4.5
149.04471	2.1
149.33839	2.2
154.89029	2.1
161.04485	5.2
167.79308	3.0
171.07640	3.6
179.05505	2.8
220.32722	2.0
221.06718	2.5
289.21823	20.5
297.15652	2.6
333.20685	10.0
469.28400	9.0
495.26352	3.6
513.27179	100.0
514.27399	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12356	0.4
59.00965	0.6
59.01245	5.7
61.98674	0.9
71.01243	2.8
73.02782	1.1
73.59336	0.5
74.20695	0.4
78.95769	4.0
85.02803	0.8
89.02293	4.2
96.95783	0.4
99.04315	0.6
101.02309	3.4
113.02296	1.6
119.03349	0.9
143.03355	0.5
152.99475	8.7
161.04404	1.5
235.08279	1.1
253.09277	13.4
253.11719	1.0
277.21744	100.0
278.22037	3.2
350.62878	0.5
411.49899	0.6
431.22079	1.6
453.17029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.2
59.01244	5.7
59.93290	0.2
68.66523	0.2
69.09749	0.1
71.00877	0.2
71.01241	3.7
72.64896	0.2
72.99165	0.2
73.02813	1.0
78.95763	0.8
79.14241	0.2
83.01238	0.5
85.02807	0.9
87.00736	0.5
89.02297	4.1
92.50423	0.2
95.01233	0.3
95.33203	0.2
101.02303	4.5
101.28033	0.2
113.02306	1.9
115.03850	0.2
119.03364	1.1
131.03404	0.4
132.98051	0.3
133.04926	0.5
143.03355	0.4
152.99471	1.5
157.04861	0.3
161.04439	1.8
179.05469	0.5
194.00099	0.2
233.22691	0.3
235.08281	1.0
253.09279	14.9
259.20737	0.4
275.20175	0.2
277.21732	100.0
278.22144	2.1
290.61331	0.2
398.39432	0.3
416.83731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20029	3.3
58.22055	2.4
59.01241	3.8
61.98682	10.7
73.11453	2.7
112.55643	2.9
120.83862	3.4
125.87196	38.4
126.87971	24.1
127.86897	67.3
128.67633	3.0
128.87677	53.5
155.88264	3.9
157.86200	12.5
157.87970	7.0
159.85892	21.0
166.22380	2.9
170.88797	4.1
319.36606	3.3
403.09122	45.3
404.09360	6.4
405.08743	100.0
476.11929	17.7
477.12866	5.1
478.11652	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	515.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38447	0.8
58.38701	0.3
63.44626	0.3
65.03813	0.7
69.18314	0.3
71.09338	0.3
71.68717	0.3
72.29945	0.2
79.01782	0.3
83.04856	0.3
93.03307	4.3
95.04884	0.5
98.46315	0.3
100.44231	0.3
106.04100	18.5
107.01830	0.3
107.04885	26.4
107.07627	0.4
108.02036	1.7
109.02820	0.5
111.04408	0.4
121.02813	4.1
138.03099	0.6
146.39430	0.3
156.55272	0.3
171.08041	1.2
213.09152	39.9
214.09518	1.2
257.08179	100.0
258.08469	2.1
360.13223	0.3
390.42007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86847	1.1
54.96807	1.2
57.02127	1.5
57.03316	100.0
57.04376	1.9
59.01242	63.5
59.79205	0.9
71.01237	23.0
72.99154	1.4
73.02803	34.8
79.05391	1.8
81.03320	3.9
83.01247	9.4
83.18370	1.3
85.02814	4.5
89.02296	15.4
95.01263	1.7
97.06461	3.3
97.40749	1.2
99.04374	93.2
101.02300	63.0
101.63133	1.2
106.88286	1.2
113.02304	18.1
113.05952	4.6
119.03402	7.8
123.04384	24.2
125.02319	36.2
131.03412	3.6
134.71091	1.4
141.05481	5.2
143.03398	5.5
149.04448	5.4
149.54985	1.4
153.05473	4.7
161.04448	11.6
179.05586	4.6
194.82436	1.3
345.56003	1.6
366.33545	1.9
424.28427	1.5
515.25110	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83353	1.8
57.03316	96.2
59.01241	76.7
61.98682	2.9
66.03881	2.2
71.01237	30.7
73.02807	29.9
79.05399	3.0
81.03321	3.6
83.01255	11.8
85.02799	3.4
87.00761	2.8
89.02296	21.1
95.01214	3.1
96.95884	3.5
97.06425	3.9
97.72491	2.4
99.04376	100.0
99.41798	2.6
101.02306	56.2
113.02300	18.0
116.05997	2.1
119.03377	7.7
123.04368	17.0
125.02313	39.7
141.05447	4.1
143.03392	6.7
145.98489	2.6
149.04486	4.8
153.05557	3.2
161.04439	13.4
179.05554	4.1
187.89388	2.5
221.06740	3.2
352.27319	2.5
438.61334	3.4
505.87723	3.2
515.24792	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	515.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01210	1.6
61.98700	9.9
63.94740	2.2
63.96100	100.0
64.96893	3.9
79.46141	1.6
80.41198	1.6
81.55264	1.4
83.31078	1.4
93.80051	1.5
96.84355	1.7
130.93990	1.5
151.55162	1.9
176.34750	1.5
177.03096	1.6
177.09459	87.1
251.13213	1.5
379.02417	2.4
515.32037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30103	1.9
53.42340	1.6
58.72639	2.0
59.01269	2.2
59.51714	1.6
61.08382	2.2
61.98694	6.1
62.31022	1.6
63.73307	1.6
78.30659	1.8
84.22384	1.9
108.58414	2.0
151.07541	6.2
163.11186	95.7
174.46411	2.2
175.11261	2.3
216.44464	2.0
226.75798	2.1
264.71112	2.5
270.97333	2.1
282.16171	2.6
283.17081	3.1
339.23312	100.0
348.11313	2.3
351.23239	4.7
396.64441	2.5
419.35345	7.4
425.10471	2.7
515.35388	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	518.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47044	0.4
57.61780	0.4
61.97262	0.7
61.98693	100.0
61.99960	1.8
75.98753	0.4
81.83822	0.3
84.12366	0.3
119.94626	0.3
163.53746	0.3
190.76387	0.4
215.86687	0.4
255.65057	0.4
277.33057	0.4
278.13763	0.4
455.15170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04445	0.3
57.03318	2.3
58.99963	1.5
59.01242	100.0
59.02345	1.5
59.59983	0.4
60.01580	0.5
67.61555	0.4
71.01247	0.6
73.02806	0.9
75.70425	0.4
83.01241	12.0
83.04874	0.4
85.02837	0.6
90.40730	0.4
90.70212	0.4
91.03849	2.2
99.00736	0.4
101.02296	3.2
101.02831	0.4
109.04888	0.4
119.03385	0.7
151.58316	1.3
157.04951	8.5
175.06038	13.7
193.07094	3.6
202.10803	0.6
231.04228	1.3
241.21704	58.8
242.22061	1.6
269.94217	0.5
399.27548	7.2
417.28619	45.2
418.28851	1.8
425.70633	0.5
444.33295	2.0
459.29648	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	519.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79789	0.2
54.48182	0.2
55.56522	0.2
55.71324	0.2
61.98674	0.2
63.82404	0.2
64.53726	0.2
66.75825	0.2
71.04874	0.5
79.95573	1.5
80.57695	0.2
81.42691	0.2
91.05583	0.2
96.93582	1.1
96.95869	100.0
96.98510	1.3
105.72693	0.2
114.93272	0.3
128.03436	0.3
130.03197	0.3
146.08118	2.3
146.37773	0.2
150.47162	0.3
157.83131	0.2
161.24443	0.2
205.71272	0.2
217.11832	0.6
228.00085	0.3
277.12305	4.4
277.15091	0.4
375.09048	0.5
459.23584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25688	0.8
80.91562	1.5
91.73294	1.2
107.04932	2.8
121.02831	6.9
122.03690	1.0
136.01540	1.9
151.19180	1.0
153.45636	0.9
162.31059	1.0
180.05740	1.2
184.05363	1.4
185.06079	1.0
195.04532	1.3
197.06070	2.6
209.06079	2.4
211.07639	1.6
213.09244	1.2
224.04776	12.8
225.05658	3.7
240.04323	6.4
241.04941	1.1
329.08228	1.4
330.09122	2.0
331.09711	2.1
437.13956	100.0
438.14517	2.5
451.15137	1.2
459.12390	3.3
461.13599	1.7
519.13300	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	519.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11460	0.7
59.01252	1.4
59.65542	0.8
62.66632	0.8
80.91560	1.5
83.12253	0.7
93.09544	0.8
108.86134	0.9
121.02837	1.8
157.74512	1.0
193.06583	1.0
194.21071	1.1
196.05193	1.6
197.05882	0.9
198.06877	3.0
206.07414	1.9
209.06110	2.2
210.06810	5.6
299.10925	1.4
403.13208	4.6
405.15002	3.7
421.14444	5.2
422.15536	2.5
427.21704	1.1
437.17612	100.0
438.17856	5.8
459.15836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56451	21.9
59.01252	27.9
75.72520	23.0
75.91850	20.2
127.70982	24.1
127.79037	20.9
170.15611	23.5
183.01204	44.5
225.30724	28.8
234.54686	26.4
245.34685	28.0
255.23344	100.0
339.19962	78.9
344.04129	25.9
359.62326	27.9
375.45691	26.2
386.72479	26.7
428.08655	27.8
445.72916	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	521.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95762	1.7
79.95570	0.9
80.41005	0.7
81.95142	0.8
96.95869	92.2
96.98228	1.5
97.95805	2.4
98.95452	39.5
98.96280	5.9
99.04377	0.9
99.92436	17.2
100.93238	2.4
111.93927	0.7
115.91914	6.9
116.92721	100.0
116.95899	1.5
125.92776	2.2
129.12196	0.8
132.90453	3.1
146.08141	1.9
156.95883	3.0
158.93781	1.2
168.88103	0.8
183.14351	0.7
183.94547	1.0
184.95398	2.5
199.97737	3.1
200.94881	0.9
210.95775	1.7
212.97864	0.8
238.24907	0.7
277.12250	1.8
279.12372	1.1
311.01688	3.9
326.04208	1.3
341.02756	1.8
357.09131	1.2
392.11218	0.9
437.04764	3.4
485.06909	2.8
503.08344	0.9
521.08978	13.8
521.16083	1.2
538.48730	0.9
548.72589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74332	0.8
54.79422	1.0
59.01241	1.9
61.30175	0.9
73.05837	1.0
78.95767	6.3
84.77209	1.0
96.95894	3.9
96.96836	10.3
115.48308	1.0
117.19273	1.1
119.04943	3.0
121.02850	2.0
130.21249	1.2
130.24971	1.2
145.02875	4.0
193.06635	1.1
195.08167	1.3
196.05261	1.6
197.06093	1.5
198.06764	2.0
209.06108	3.1
210.06778	6.6
211.07668	2.6
212.08464	5.6
224.08258	6.8
227.07384	1.5
244.07458	1.7
299.10800	3.1
302.10080	1.2
317.11975	3.8
340.63586	1.4
405.15396	2.0
423.16061	100.0
424.16415	7.8
429.23032	6.7
439.15085	1.8
461.11649	7.8
521.28052	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	521.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88243	0.9
59.01230	1.5
71.97176	0.8
74.12733	1.0
80.91535	15.4
81.38937	1.0
81.82693	0.9
83.78407	1.0
88.10589	0.9
92.92653	1.4
93.03324	1.9
94.09165	0.8
95.27328	0.9
96.95885	1.0
108.16113	0.9
121.02831	6.6
136.01558	3.2
182.07414	1.3
198.06778	1.7
199.07637	1.2
210.06749	1.3
211.07588	2.4
225.05525	2.2
226.06322	8.7
250.74301	1.1
280.15244	1.3
333.11465	2.3
417.14633	2.5
433.14188	2.1
439.15512	18.6
461.13742	100.0
462.13690	7.0
479.13370	7.8
521.14893	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1664
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
57.03329	4.4
59.01242	3.8
72.63232	2.0
75.38889	2.9
94.23125	2.1
96.95890	2.7
97.99976	9.8
99.00739	100.0
108.02026	74.5
108.02761	3.2
109.02858	5.7
122.03609	6.6
123.00755	3.8
123.04388	40.8
124.01581	4.0
128.03444	3.3
131.51620	2.6
135.04446	3.8
137.06079	3.7
149.05980	3.7
150.03175	4.7
151.03885	20.2
161.65939	3.0
162.03134	4.1
163.00182	2.9
163.03958	6.1
164.04677	4.8
165.05452	2.9
175.03983	8.7
179.10732	4.5
191.07159	2.9
216.99983	2.7
219.24281	3.0
227.06902	2.7
235.06102	52.0
283.02499	4.8
284.03293	15.3
285.04166	13.2
285.07144	2.8
286.04138	3.2
300.10019	27.6
307.02310	7.0
315.12369	28.5
359.11374	78.6
429.54785	3.1
431.44858	3.8
483.05368	22.6
485.05582	3.3
486.34772	3.0
521.16602	52.2
521.23761	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	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31159	3.6
57.03316	92.8
59.00966	8.6
59.01241	100.0
68.99689	4.1
71.01234	38.9
73.02797	33.6
75.00735	14.4
83.01252	14.9
85.02792	11.9
89.02287	26.3
91.73360	6.2
96.00759	4.1
96.95880	14.4
99.00723	4.7
99.04369	90.9
100.04718	4.9
101.02297	71.8
113.02298	23.4
113.29149	4.3
118.97932	4.9
119.03362	13.7
123.04382	18.5
125.02304	32.9
128.03400	10.0
131.03398	4.5
141.05505	4.4
143.03412	7.8
158.48581	4.7
158.66019	4.9
161.04431	67.0
167.10713	13.7
179.05548	11.7
179.10750	6.5
221.96361	4.8
263.07803	14.3
277.12479	7.7
323.10001	26.5
323.13336	5.5
329.16058	12.3
445.72745	5.5
521.22522	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	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02116	2.4
57.03319	89.3
59.01243	80.1
71.01243	33.2
73.02808	33.1
74.43981	2.2
81.03312	2.5
83.01247	9.3
85.02814	5.9
87.00719	4.0
89.02296	20.3
91.24081	2.2
93.77229	2.1
95.14441	2.2
96.95825	4.6
99.04379	100.0
101.02303	54.0
113.02299	12.8
113.05952	3.1
119.03368	8.6
120.01059	3.0
120.72649	2.3
121.29816	2.4
123.04391	11.2
125.02306	40.6
131.03282	2.4
137.09636	4.0
141.05479	2.7
143.03404	7.6
147.63560	2.3
149.04474	4.9
161.04428	17.1
165.09126	4.9
179.05548	6.7
183.10234	3.1
243.64844	2.5
244.82341	2.6
273.61237	2.5
285.04080	7.4
335.33829	2.9
387.16574	3.3
434.11166	4.7
445.20145	2.9
483.05453	6.9
486.21759	3.0
521.22333	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	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10574	0.6
57.02116	1.8
57.03316	100.0
57.04390	1.7
58.00460	0.8
58.99994	1.1
59.01241	80.2
59.02369	1.6
62.47329	0.7
71.01237	28.2
72.99145	1.6
73.02803	33.3
73.03203	1.9
75.00723	1.3
76.32984	0.8
79.05383	1.8
81.03322	3.1
83.01241	10.7
85.02803	6.0
87.00732	3.7
89.02297	25.6
95.01235	1.5
96.95861	14.1
97.06477	2.0
99.01693	1.5
99.04375	90.2
100.04710	1.3
101.02303	58.9
109.02821	2.5
113.02305	15.9
113.05945	4.2
115.00246	3.3
119.03369	9.7
120.04401	1.8
123.04379	15.4
125.02313	39.9
125.38967	0.8
126.90377	1.8
130.69168	0.8
131.03377	3.0
133.01305	6.5
133.82306	0.9
137.09593	4.5
141.05466	4.0
143.03378	7.4
146.03654	1.2
149.04425	4.5
153.05466	2.7
155.03369	0.9
159.04390	1.2
161.04460	14.8
165.09154	5.3
168.06479	0.9
179.05551	5.5
183.06500	1.4
183.10223	2.9
203.05476	1.5
221.06657	1.6
251.06720	1.1
267.06607	5.6
281.08093	1.5
282.09052	4.7
297.11325	14.6
317.16034	1.7
345.15601	2.4
370.46857	0.9
387.16617	3.3
431.14468	1.7
445.21024	2.6
472.71503	1.0
489.19803	6.1
521.14685	0.9
521.22400	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	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61543	3.4
59.01238	8.6
62.06101	4.3
69.18957	3.5
70.57666	4.3
71.35323	3.6
76.98195	4.5
77.68077	4.4
102.72775	3.9
105.03335	5.7
133.02815	44.1
134.03635	16.2
135.04405	9.1
147.70692	4.7
160.01588	15.5
161.02336	13.0
175.03915	45.1
177.01782	5.2
178.02582	6.0
193.05034	7.1
250.05594	4.2
271.22925	8.4
341.40524	4.2
345.53436	4.3
361.28287	4.9
415.24942	6.0
429.26385	19.2
447.27585	34.2
521.31250	100.0
522.31372	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	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92604	0.2
53.11653	0.2
54.62378	0.2
55.19815	0.2
59.01234	1.1
61.68941	0.5
65.19321	0.3
86.46043	0.3
88.08836	0.3
89.02280	0.7
90.74223	0.3
91.03858	3.1
94.90982	0.2
101.61319	0.3
105.03346	0.6
115.27780	0.2
117.03343	2.2
119.04868	1.6
121.02804	1.2
122.03532	0.5
124.01539	0.7
131.04872	0.3
132.02051	7.0
132.05679	1.4
133.02834	6.3
134.03612	4.8
136.01559	1.0
137.02351	1.4
143.04912	0.5
145.02834	5.4
146.03642	0.4
147.04401	2.5
148.05148	0.3
149.02274	0.4
149.05980	0.7
153.05394	0.3
158.03635	0.4
159.04437	2.0
160.01561	24.2
160.05173	4.2
161.02264	1.2
161.05959	1.0
162.03104	1.9
163.03931	0.4
166.11823	0.2
173.02347	1.1
173.06032	0.3
174.03171	0.3
175.03918	18.7
176.04283	0.3
177.01814	1.0
177.05475	0.8
178.83199	0.3
183.04449	0.3
187.03957	0.6
187.07552	0.3
188.04633	0.4
189.01845	1.7
190.02629	3.3
192.04204	0.7
193.04979	3.8
199.50476	0.3
203.03430	6.6
204.04227	1.1
205.04991	2.4
217.01385	2.3
217.04953	0.3
222.01700	1.0
223.20613	0.4
225.22186	4.8
226.22833	0.3
231.02998	2.7
232.03725	3.5
245.08141	0.5
250.01250	0.4
259.09735	0.5
271.22806	4.1
273.11380	0.5
277.21863	0.4
287.12946	0.8
295.22781	11.0
301.14511	1.0
315.15851	0.8
316.24036	0.3
328.24039	0.3
329.14087	0.4
329.17581	0.8
340.09183	0.2
342.25491	1.8
343.19016	0.5
344.27112	0.7
345.24438	0.6
346.25143	0.9
357.17053	0.3
357.27753	0.5
359.29791	0.3
361.27487	0.3
370.25122	2.1
371.18698	0.6
385.19873	0.5
385.27908	0.6
386.24686	9.6
387.25287	0.5
398.24860	0.3
403.28561	0.5
414.24176	18.4
415.24512	0.7
429.26483	100.0
430.26862	3.3
447.27365	1.2
506.28897	0.3
521.31232	22.4
522.31677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.5
61.98690	1.1
71.55442	0.7
83.95631	0.8
86.01750	0.7
91.03869	3.0
117.03336	1.5
119.04896	1.4
121.02790	1.7
127.86870	1.0
132.02043	6.9
133.02824	5.3
134.03615	4.6
136.01506	1.3
145.02843	6.3
146.03571	1.0
147.04401	2.6
153.05544	0.9
159.04446	2.8
160.01563	23.0
160.05173	4.9
161.02267	1.2
161.06042	1.2
162.03058	1.8
175.03914	18.9
189.01915	2.2
190.02661	3.1
193.04984	4.9
202.30414	0.8
203.03456	4.7
204.04144	1.9
205.04988	3.2
217.01384	2.3
225.22183	4.0
231.02957	1.4
232.03798	4.0
269.40945	0.8
271.22845	4.2
295.22766	10.7
331.15396	0.9
341.76300	0.9
342.25546	2.3
344.27155	1.0
346.25104	2.1
357.20630	1.0
357.28149	1.2
360.49741	0.9
370.25125	2.2
386.24673	10.7
414.24133	20.0
415.24478	1.1
429.26483	100.0
430.26813	5.2
521.31238	21.4
522.31635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.7
70.46518	3.4
91.03824	5.0
91.72852	4.9
94.63089	4.3
100.05479	4.2
109.52367	3.5
129.54283	4.1
132.02046	11.5
133.02803	6.6
134.03563	15.6
145.02824	5.8
151.44626	4.9
157.53857	4.5
160.01550	41.1
166.38321	4.4
175.03923	33.8
177.00449	4.4
185.41701	4.1
193.05014	11.9
197.03883	5.7
203.03455	6.8
225.22226	6.9
271.22903	12.0
295.22858	19.0
386.24530	10.7
414.24142	17.6
417.66772	6.9
429.26474	100.0
430.26309	5.4
435.31937	5.3
494.25662	5.2
521.31305	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.4
61.68960	0.5
65.19350	0.7
70.16456	0.6
71.01270	0.6
89.02324	1.0
91.03870	4.2
91.72881	1.1
100.98022	0.7
105.03359	1.3
105.41726	0.7
109.02869	0.7
117.03351	2.5
117.98190	0.9
117.98907	0.8
119.04948	2.2
119.11852	0.6
123.61714	0.8
124.01572	0.9
132.02045	10.9
132.05733	0.7
133.02832	9.4
134.03616	9.2
136.01561	1.0
137.02316	1.5
143.04956	0.7
145.02826	5.7
147.04437	3.0
149.05981	1.9
153.05438	0.9
158.03709	0.7
159.04492	1.8
160.01558	37.3
160.05240	2.9
161.02367	2.0
161.05960	1.6
162.03131	2.1
174.49185	0.7
175.03914	38.4
177.01944	1.8
177.05531	1.0
189.01855	2.3
190.02637	2.1
190.60223	0.6
192.04269	0.9
193.04985	12.1
203.03426	7.3
204.04274	1.1
205.04970	3.6
217.01360	1.7
222.01678	0.8
225.22177	8.9
231.03052	2.7
232.03668	3.0
245.08008	0.7
271.22827	8.9
277.21768	1.3
295.22787	18.3
301.14490	1.3
329.13953	0.7
329.17563	1.0
342.25781	1.2
344.27203	0.9
357.27975	1.2
370.25089	1.9
385.27887	1.0
386.24637	11.4
403.28482	0.9
414.24100	19.9
429.26483	100.0
430.26877	4.8
447.27609	3.4
521.31238	42.4
522.31482	2.0
530.09985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3614
Annotation	ubiquinone 25
Peak:m/z	Relative Intensity
59.01236	3.6
65.55966	0.8
68.36743	0.9
73.13656	0.9
73.24146	0.9
79.92381	0.8
80.38973	1.1
86.59853	1.0
91.72716	1.1
146.59158	0.9
188.14980	1.0
205.19585	1.7
233.15547	1.4
249.18591	100.0
250.19040	2.0
346.98233	1.5
418.41565	1.2
521.36163	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	522.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12823	0.5
59.01242	39.2
60.01224	0.6
60.40393	0.9
63.85508	0.6
70.99686	0.7
71.01238	27.8
72.00762	6.7
72.99165	0.9
73.02813	1.2
74.02325	1.3
78.95776	0.8
83.01254	1.1
85.02818	3.9
87.00732	1.4
89.02296	47.6
92.78992	0.7
93.03311	6.9
93.83701	0.7
95.01252	1.6
96.95891	1.5
96.96819	1.5
99.00713	0.7
101.02305	15.7
101.02961	1.2
106.05842	0.7
113.02306	13.0
113.03086	0.8
119.03387	16.1
119.04880	17.5
131.03389	2.0
143.03371	3.1
149.04472	2.0
153.71606	0.8
161.04478	5.3
163.03903	23.9
172.98892	0.9
179.03940	1.4
179.05524	24.3
180.00250	1.0
180.06575	78.7
181.06987	0.9
199.71951	0.7
255.57690	0.7
341.10898	100.0
342.11237	3.6
495.87479	0.8
533.58844	0.8
536.93799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25714	1.3
59.19316	1.1
59.70982	1.4
61.98703	3.3
65.22523	1.5
69.31024	1.6
79.30527	1.6
90.94508	1.7
96.95871	1.6
103.93180	1.8
106.06484	45.3
108.08036	1.8
111.38124	1.9
122.05979	10.5
124.07584	2.8
132.04424	1.6
134.05998	36.2
144.18684	1.6
150.05486	21.7
152.07062	37.1
160.03935	2.6
172.03995	1.9
189.29535	1.7
190.04982	4.8
210.07906	2.4
224.09497	2.5
225.06734	1.8
225.10281	2.2
235.08737	3.2
237.10291	2.3
238.07384	3.5
239.11906	6.4
241.10010	2.6
249.10352	2.7
251.08261	5.9
251.11876	4.5
253.06213	2.7
253.09792	6.8
263.08234	2.0
265.06183	5.8
265.09946	2.3
266.07010	12.6
266.10687	2.9
267.07834	2.5
267.11334	1.6
277.09857	7.3
278.06964	3.4
279.07828	4.2
279.11423	2.8
280.08551	6.2
281.09329	59.7
282.12286	1.7
283.10852	20.4
293.09335	26.2
294.10043	3.3
295.10959	9.6
313.12009	7.2
321.08914	1.8
400.16513	3.9
402.18195	11.3
428.16229	14.9
446.17270	46.5
460.18915	2.2
472.15277	3.6
478.20016	4.3
490.16205	100.0
491.16284	3.8
504.17816	9.9
522.18835	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	523.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.1
62.61813	0.5
68.95164	0.5
74.98667	0.6
78.95763	4.1
79.19792	0.6
79.95591	3.2
91.73343	1.0
93.03316	1.3
96.93350	1.5
96.95871	100.0
96.96771	7.5
107.04886	5.3
118.49328	0.5
119.04887	1.0
121.02817	4.7
196.08934	0.6
211.07498	1.3
251.04810	0.7
282.63177	0.6
285.04425	0.7
327.08099	0.8
329.50681	2.1
356.07855	1.3
357.08017	0.6
361.07748	0.8
408.14688	0.7
435.12708	0.6
447.15726	1.8
463.12384	70.6
464.12521	2.9
467.50790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36861	2.1
56.03815	2.1
58.02829	5.3
59.01249	3.1
62.02287	2.2
63.88842	2.3
70.26060	2.5
72.00761	2.2
72.57184	2.2
74.02321	13.8
78.95766	3.8
82.02831	3.8
83.01250	2.6
87.05502	5.8
91.72755	7.1
91.73336	4.7
94.46593	2.4
96.04434	6.2
96.95851	7.1
97.03941	4.1
98.02351	5.7
99.05505	6.8
99.40910	2.5
100.00269	5.7
106.16918	2.5
108.04420	9.0
108.76582	2.6
112.03919	9.8
112.07551	6.6
113.03420	3.4
122.06031	3.3
124.03925	5.7
125.03400	13.6
126.04258	2.6
126.05463	3.5
137.07085	9.7
138.05475	3.8
139.05042	7.6
140.03421	2.5
143.04520	4.1
147.05579	4.0
151.05090	2.6
152.03398	5.7
155.08144	10.7
160.00607	27.3
163.04938	4.5
165.06578	17.0
178.01314	4.3
181.06174	5.3
209.05608	7.8
217.00310	7.0
225.05136	35.3
227.06618	3.6
253.04645	87.7
259.04013	13.7
271.05713	19.6
287.03458	19.7
305.04498	100.0
463.48294	3.0
487.17120	3.1
523.21295	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	523.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51153	1.1
58.02847	1.6
58.99467	1.6
59.01268	4.0
60.42202	1.4
62.45087	1.2
64.46029	1.2
70.02861	1.3
74.02321	11.1
80.04922	2.0
82.02872	4.4
83.01261	3.5
83.02431	1.3
86.98975	2.3
87.05537	6.1
93.81692	1.5
96.00814	1.7
96.04433	8.2
97.03960	6.0
98.02380	4.8
99.05525	6.3
100.00301	4.4
108.04442	6.6
110.02367	2.2
112.03943	5.5
112.07584	5.5
113.03467	3.7
116.01707	1.9
117.80852	1.3
122.06033	3.9
124.03975	5.2
125.03488	11.1
125.04705	2.0
127.05058	3.7
137.07069	8.7
138.05527	4.3
139.05052	6.0
140.07080	3.7
143.04565	5.2
147.05544	3.5
150.01918	2.1
152.03481	6.0
155.08170	7.9
156.03122	1.7
160.00642	27.0
163.05154	3.3
165.06613	16.2
178.01436	2.4
179.04613	2.9
181.06152	10.9
183.07742	2.7
191.04620	4.9
196.02466	3.4
209.05621	9.8
225.05145	33.7
225.07257	2.2
227.06799	2.9
253.01978	2.2
253.04666	69.8
259.04031	11.8
271.05710	12.2
287.03455	17.5
305.04489	100.0
381.16406	1.6
523.21149	19.8
534.35089	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	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23083	28.2
56.91281	29.0
59.01230	100.0
61.98693	34.8
69.10577	33.2
79.48117	27.0
96.95849	43.0
98.59813	30.8
129.99141	31.6
144.76408	31.8
217.00278	48.2
251.20209	86.9
299.16196	76.3
364.89288	41.3
463.94745	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
58.16457	0.4
59.01238	1.9
61.98692	1.6
63.02247	0.7
65.00189	0.7
71.01228	2.0
72.99168	0.3
73.02764	0.3
75.00724	0.6
83.01221	0.3
84.00949	0.2
85.02805	2.7
87.00716	0.6
89.02285	0.5
89.33187	0.5
89.33696	0.3
95.01247	0.5
99.00739	1.1
105.03316	0.3
107.01266	1.3
109.02802	0.7
113.02313	2.0
115.00227	0.3
116.46548	0.2
117.01794	0.3
121.02812	0.5
126.07694	0.2
133.02817	4.9
143.97192	0.3
149.02304	1.6
151.00252	3.3
171.04321	0.3
175.02502	0.5
175.03912	2.0
177.01868	0.4
179.52138	0.2
185.06039	0.3
197.06070	0.3
199.03929	2.2
201.01825	0.5
206.20691	0.2
213.05650	0.6
215.03418	0.4
217.04985	0.9
241.05046	0.8
243.02939	0.7
257.04486	0.5
267.02985	0.4
284.03229	0.6
285.04056	100.0
285.49545	0.3
286.04453	2.1
297.04013	0.4
327.05099	1.2
357.06067	0.8
369.06012	0.4
381.06201	0.5
461.07303	32.4
462.07721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66949	1.0
57.03320	7.1
57.97984	0.3
59.01242	19.4
59.02517	0.4
62.57824	0.3
66.56683	0.4
68.34899	0.3
70.99735	0.6
71.01240	41.4
71.04879	8.0
71.46573	0.4
72.00756	0.5
73.02802	4.1
75.80580	0.4
78.43879	0.4
80.39137	0.4
83.01240	2.5
85.02808	2.8
87.00761	0.9
88.03889	4.8
89.02299	6.8
95.01292	0.6
96.88093	0.4
96.95899	0.5
99.00739	0.5
99.04376	4.6
100.08772	0.4
101.02306	11.5
110.88825	0.5
113.02300	5.5
114.05463	0.6
116.03402	1.5
116.07054	1.1
119.03391	2.3
120.22231	0.4
121.02747	0.3
125.02316	1.0
126.09140	0.6
128.07016	3.0
129.05443	0.7
143.03427	0.6
146.08115	76.5
161.04451	2.0
174.11282	1.1
177.93954	0.5
182.47885	0.4
188.09195	0.5
200.09212	2.1
218.10278	1.6
220.26192	0.5
246.25879	0.4
263.11371	1.3
290.12473	4.4
294.24881	0.4
308.13544	10.8
330.68582	0.5
362.14606	4.5
380.15643	100.0
381.16003	2.8
422.16742	36.6
423.17169	1.4
462.19809	6.1
524.19885	42.9
525.20197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87904	1.1
61.98425	1.1
61.98709	3.6
63.93350	0.8
64.87776	0.9
78.69440	0.8
80.04899	1.0
80.11330	0.8
88.22598	0.8
94.06492	1.2
96.74915	0.9
96.95889	1.8
101.32338	0.9
101.93803	0.9
104.04935	2.1
106.06487	12.6
106.07085	1.2
107.03696	1.2
107.57458	0.8
114.23917	1.0
122.05978	29.0
122.06783	2.0
124.07572	2.0
130.02861	1.1
131.03720	1.6
132.04416	12.9
134.02252	1.4
134.05989	83.2
135.06380	1.5
135.19986	0.9
136.07558	8.9
147.03207	1.9
150.05504	5.7
152.07062	70.2
153.07574	1.2
158.02419	4.7
160.03957	8.0
162.05528	2.7
163.02589	1.3
165.07973	2.1
174.05504	2.9
176.03497	5.6
176.07158	1.5
190.05011	14.2
191.08154	1.1
195.08148	3.6
196.11446	1.2
197.06905	1.9
200.07146	1.0
211.12387	2.3
212.10866	1.2
213.09340	1.3
215.11920	3.7
223.08696	7.0
224.07558	1.8
224.09576	6.9
226.07669	1.1
227.08301	1.4
236.09508	1.5
237.10432	3.1
238.11104	1.4
239.08238	1.8
239.11874	32.6
240.10425	5.3
241.09880	4.1
249.10406	2.0
251.08377	1.6
251.11952	3.6
252.09262	1.1
253.06181	8.1
253.09854	2.9
255.07808	2.9
255.11481	3.4
265.09918	4.7
266.07162	2.4
267.07919	7.2
267.11316	8.0
268.08600	5.9
277.09827	1.9
279.07880	2.8
279.11209	1.5
280.08539	4.8
281.09354	13.3
282.09991	1.4
283.10880	79.4
284.11325	2.7
293.09451	4.3
294.10242	1.4
295.10883	17.0
296.11572	2.5
305.09415	1.8
309.08957	2.4
312.11227	3.8
319.13336	10.3
321.08768	1.6
323.10403	4.7
324.11279	1.9
327.09921	1.2
341.11581	3.7
355.13049	2.7
358.19632	1.1
386.18939	1.8
388.16992	1.3
402.18652	2.5
418.17810	12.4
418.23004	1.8
428.16425	2.0
430.17737	31.0
430.23462	1.9
431.18475	1.5
448.18863	36.4
449.19061	1.1
456.16022	3.2
462.16602	25.2
463.17285	1.2
474.16702	69.2
475.17233	3.0
480.21613	1.6
492.17804	100.0
493.17682	5.7
494.19565	4.0
506.19260	12.7
524.20313	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	524.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	3.5
71.56586	1.4
89.02621	1.4
91.73305	1.9
94.02851	1.9
94.06431	1.9
96.95847	2.5
99.70982	1.4
102.03391	1.5
103.62050	1.8
104.04906	2.8
106.06496	11.8
107.03602	1.7
115.71915	1.4
120.04403	2.2
121.05186	2.0
122.05992	31.7
124.07560	4.0
129.10153	1.8
132.04434	16.5
133.11070	1.8
134.05997	100.0
136.07550	10.2
147.03062	2.6
150.05513	5.2
152.07062	88.7
158.02362	5.6
160.02689	1.9
160.03934	10.3
162.05548	3.7
165.07742	2.1
172.03909	3.5
174.05531	3.4
175.02620	2.1
176.03432	15.6
176.07114	2.7
185.07112	1.9
190.05013	40.1
191.05801	1.9
191.08179	1.7
192.06351	1.6
197.06877	2.3
202.04959	2.1
211.12357	3.1
215.11855	2.9
223.08836	3.7
224.09384	7.6
236.09560	1.7
237.10353	3.4
238.10988	2.4
239.08266	2.3
239.11891	26.9
240.10358	4.7
241.09828	3.4
249.10153	2.1
251.11942	4.8
253.06198	8.3
253.09952	1.7
255.07677	3.2
255.11560	3.8
265.06229	2.1
265.09799	5.4
266.07120	4.8
266.11072	1.9
267.07782	6.4
267.11215	7.9
268.08459	7.4
271.10938	2.6
279.07950	2.9
280.08582	3.6
281.09323	12.1
282.09961	2.0
283.10892	93.8
284.11203	3.7
293.09213	5.3
295.10898	23.3
305.09393	3.0
309.08832	3.4
311.10181	2.8
312.11285	4.8
313.11743	2.2
315.13449	2.2
323.10306	4.2
326.37936	2.2
338.12714	5.0
341.11328	7.6
345.77423	2.1
355.13004	6.1
386.18588	3.6
402.18298	4.5
418.17560	7.8
430.17764	43.1
431.17996	2.5
448.18787	35.6
449.19177	2.4
456.15237	3.6
462.16144	14.8
474.16736	66.4
474.23502	3.6
475.16779	2.2
480.15311	2.0
480.21228	9.9
492.17807	77.9
493.17795	3.9
494.19330	13.7
501.61780	2.0
506.19312	52.2
524.20380	53.2
524.33929	2.9
525.20190	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	524.2079
Annotation	CHEMBL563292
Peak:m/z	Relative Intensity
51.89505	0.2
53.49631	0.2
55.21614	0.2
57.45441	0.2
59.01234	0.2
60.43974	0.2
61.98681	0.5
65.99697	0.3
83.30345	0.2
83.53910	0.2
90.03342	0.3
92.04892	0.2
93.03321	0.9
104.04888	0.2
106.02883	0.3
106.04112	0.8
107.04887	2.6
108.02029	0.4
108.94745	0.2
109.02826	0.3
114.42877	0.2
118.02857	1.6
119.04878	0.4
120.04395	0.7
121.02818	8.3
122.02319	0.3
122.03591	0.4
123.00748	0.4
125.02308	0.5
130.02812	0.2
132.04417	1.4
134.02335	0.5
135.04408	0.3
136.01556	0.3
137.02304	0.4
138.97646	0.2
146.02364	3.0
146.03528	0.4
146.05981	0.2
147.03120	1.9
147.04315	0.5
148.03922	1.7
150.05507	0.3
157.36139	0.2
158.02368	0.5
159.03152	2.2
159.04352	0.3
160.03937	3.3
160.62268	0.2
161.04669	0.6
162.01880	1.3
162.05414	0.3
163.02612	1.1
164.03342	0.5
169.06471	0.3
172.03952	0.3
172.30304	0.2
173.04701	0.5
174.01920	0.3
174.05476	1.8
175.02635	1.9
176.03421	3.1
176.04790	0.3
176.07036	0.3
177.04213	0.8
178.04936	0.2
180.08186	0.2
185.06049	0.2
189.04221	0.4
190.05035	0.7
191.05769	0.3
192.02934	0.2
192.06610	0.3
193.07338	0.3
194.08098	0.3
199.07516	0.5
204.06638	1.0
206.08173	3.9
208.07635	0.2
209.06068	0.6
210.06909	0.3
210.09250	0.3
211.07690	0.4
212.08437	0.5
213.09154	1.1
221.06784	0.4
222.05533	0.2
223.06328	0.3
224.04735	1.0
224.06943	0.3
225.05635	1.3
226.06305	0.8
227.07082	1.5
228.07903	1.1
229.08688	0.5
235.06339	0.3
236.07213	0.4
238.08754	0.5
240.06609	0.4
241.07428	0.4
244.07301	0.3
248.07074	0.5
250.05045	0.3
251.05849	0.3
252.06642	0.4
253.07364	1.8
254.08304	0.5
264.06726	0.3
265.07501	0.8
266.08258	3.3
267.08984	0.6
268.09802	0.2
280.09775	0.4
281.10629	0.5
283.08673	0.2
297.06549	0.3
310.10785	0.4
311.11664	2.9
312.12421	0.3
319.13455	0.9
325.32220	0.2
331.13501	0.7
334.12036	0.3
343.10681	0.9
346.10590	0.3
349.10831	0.3
358.10858	0.3
360.12360	0.5
364.10007	0.2
372.12363	0.9
375.15030	0.3
386.14102	0.3
390.13562	0.6
400.15579	0.3
418.16626	1.8
437.13925	0.8
438.14731	2.7
439.15244	0.4
452.14996	2.0
455.15149	0.3
464.14584	0.9
466.16568	3.2
478.16544	0.8
479.17126	0.3
480.18262	0.3
495.16855	0.5
524.20801	100.0
525.21167	4.5
532.37500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39317	1.3
58.02828	4.5
61.98694	2.0
69.99552	1.8
70.11533	1.6
70.64510	1.6
74.02327	10.2
81.16067	1.8
86.02327	3.5
87.05489	4.0
88.35516	1.6
91.73372	4.2
99.05480	13.0
103.76752	1.7
109.03974	2.4
109.07611	1.8
109.08367	2.0
114.96600	1.6
127.05013	1.9
128.03401	32.3
128.04292	2.9
137.07089	2.0
141.06599	3.4
143.04500	48.2
145.06125	2.9
146.04469	3.0
160.00621	10.4
167.04538	3.3
177.03313	4.1
179.04469	10.4
185.05652	2.3
210.08820	10.0
218.52953	1.9
226.78600	2.4
254.07787	14.1
270.60895	2.3
272.08942	17.6
276.97800	2.2
288.06577	6.0
299.76407	2.0
306.07663	100.0
518.29523	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	525.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46465	0.6
59.01230	0.9
60.36879	0.6
63.45038	0.6
65.14475	0.7
72.73312	0.7
72.97389	3.7
73.02808	11.1
80.34022	0.6
81.44836	0.7
93.03312	1.9
96.95846	1.3
99.00739	2.2
99.92445	7.0
108.02017	5.1
116.92724	100.0
116.96046	1.5
117.01800	28.7
117.92741	2.9
118.97978	0.9
121.02821	37.0
122.03665	1.9
123.04385	40.5
125.00576	1.1
141.00012	1.1
153.00044	19.1
154.00822	11.8
167.01627	1.7
177.00038	3.6
178.00848	3.4
185.99852	2.5
200.09355	1.2
213.05447	0.7
225.05542	2.0
236.31451	0.8
240.04358	0.9
241.04988	2.9
242.05873	2.0
243.06619	11.0
245.08179	11.2
246.08513	0.9
274.02832	1.1
275.03842	6.5
276.04770	1.0
277.05389	24.7
291.06866	2.2
301.05426	28.6
407.13403	7.3
427.42514	0.8
427.86227	1.1
437.09167	9.3
439.10712	24.3
463.10693	7.0
481.11752	1.4
507.09750	1.7
514.62915	1.1
525.10889	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	525.1403
Annotation	Itoside H
Peak:m/z	Relative Intensity
51.14525	2.8
52.33081	2.9
56.46101	2.9
57.03313	6.3
59.01239	27.1
59.01457	3.0
61.83391	3.2
71.01232	13.3
74.52383	3.1
78.95784	4.0
83.01249	5.5
85.02801	45.5
87.00729	13.6
93.03292	18.6
95.01269	6.8
99.00754	8.8
103.00243	8.4
107.04891	54.3
113.02308	56.6
115.00282	5.4
121.02820	57.0
128.03375	4.4
129.01747	3.9
138.12437	4.0
175.02390	70.3
177.26553	4.7
194.14742	4.5
198.06789	39.4
202.79950	4.1
211.07683	7.0
217.57736	5.0
230.05855	21.0
257.41861	4.2
272.09024	5.9
305.11880	100.0
305.15451	5.8
349.10812	78.8
358.09360	4.3
455.59869	4.6
507.13016	11.0
510.25629	4.7
525.14105	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32443	0.4
52.04074	1.5
52.04296	0.5
53.55542	0.5
55.61390	0.5
60.49763	0.6
62.16913	0.5
74.98932	0.6
78.57874	0.5
81.99083	0.6
85.21876	0.5
86.05142	0.7
86.05540	0.7
93.03308	2.8
94.48415	0.5
108.02027	4.2
109.02823	0.9
120.01130	0.9
121.02821	61.8
123.04381	17.5
125.00542	0.7
153.00052	33.9
154.00836	15.2
155.01598	0.8
185.99873	2.6
197.06021	0.7
213.05453	0.6
225.05557	1.6
233.47754	0.6
239.45409	0.6
241.05350	0.8
242.05852	2.0
243.06624	19.5
244.85312	0.6
248.61751	0.7
272.58740	0.7
276.04803	0.6
277.05399	62.4
278.05725	1.1
386.70624	0.7
391.24332	0.7
439.10706	100.0
440.10962	3.4
520.31659	0.6
526.14056	6.5
536.38446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1559
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
55.89714	0.6
55.93700	1.2
56.95031	0.6
60.86172	0.6
71.01212	0.7
73.09744	0.8
74.62596	0.8
78.22656	0.8
80.79831	0.7
92.02525	1.0
93.03314	30.3
93.47947	0.7
95.46854	0.7
96.95880	1.2
99.34004	0.9
108.02033	36.5
109.02818	1.0
121.02818	25.8
122.03605	7.3
123.00913	1.5
123.04388	100.0
124.04743	1.0
136.01550	3.0
137.02333	5.7
151.30290	0.7
176.38104	0.7
176.88791	0.8
181.06532	1.4
183.08047	0.9
185.06073	1.9
197.06003	3.2
198.06870	4.7
199.07486	3.7
209.06023	3.5
215.07143	1.5
225.05489	1.1
226.06209	0.9
227.07103	11.6
230.05803	2.5
241.05048	7.2
242.05852	0.9
269.04593	1.9
321.11377	15.3
365.10318	86.0
366.10645	1.9
407.11639	1.6
460.54654	1.5
467.05948	1.6
527.15607	62.5
528.15790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	97.8
59.11557	73.2
61.98690	100.0
78.87915	76.4
144.32002	83.3
235.34383	86.4
364.38928	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
66.13167	0.3
71.49910	0.3
72.99156	1.7
73.02782	0.3
75.00730	100.0
75.02401	1.7
82.21216	0.3
82.21751	0.3
83.04896	0.6
84.73105	0.4
90.30093	0.3
152.07126	0.4
169.37563	0.3
172.71088	0.4
199.07611	0.9
205.46463	0.4
210.78740	0.3
229.50615	0.3
306.86417	0.4
310.14023	0.3
365.10193	0.7
449.31171	0.6
451.32809	1.0
467.32425	4.9
496.73297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95156	0.2
51.98064	0.2
58.38447	0.6
58.38715	0.3
60.66805	0.2
61.53145	0.2
62.11140	0.2
62.66010	0.2
65.03831	0.7
71.09327	0.3
78.15915	0.2
81.03316	0.4
83.04885	0.4
91.01743	0.2
92.02554	0.4
93.03322	4.2
95.04883	0.4
98.94093	0.2
106.04108	14.6
107.01739	0.3
107.04893	24.4
108.02038	1.7
109.02831	0.5
113.86220	0.2
119.04872	0.4
121.02824	3.6
121.04132	0.2
138.03098	0.4
166.00499	0.2
171.08069	1.4
211.07587	0.4
213.09163	36.6
214.09460	0.7
227.07127	3.3
236.79135	0.2
254.32854	0.2
257.08194	100.0
257.18900	0.9
258.08496	2.1
271.06137	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27337	3.3
57.03065	7.5
57.03317	82.2
59.01245	89.1
71.01234	42.2
73.02808	35.8
75.46006	4.2
83.01237	9.1
83.04877	4.4
85.02789	8.8
89.02289	31.6
91.73447	5.0
96.95896	6.6
98.39505	4.7
99.04372	100.0
101.02303	64.6
113.02312	23.2
119.03387	14.9
123.04409	21.3
125.02313	43.8
142.76544	5.4
143.03391	8.3
149.04459	5.3
161.04439	44.5
165.09100	6.5
179.05522	15.8
205.12161	8.8
263.07715	15.8
323.09808	22.7
385.18484	13.8
529.23145	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	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31046	0.3
57.02080	1.2
57.03316	84.3
57.04395	1.5
58.00468	0.9
58.99949	1.1
59.01242	95.1
59.02377	1.8
64.07083	0.4
69.03309	1.0
70.99551	0.4
71.01240	31.7
71.02760	0.6
72.99181	1.4
73.02806	35.2
75.00735	0.6
78.98427	0.5
79.05396	1.4
80.96378	3.2
81.03327	3.9
83.01240	10.7
84.58273	0.5
85.02805	6.4
85.06488	0.7
87.00739	2.0
89.02299	21.9
94.97933	0.5
95.01224	2.8
95.04917	0.6
97.02821	1.5
97.06448	2.5
99.00735	0.9
99.01563	1.1
99.04376	100.0
99.06882	1.1
100.99460	0.7
101.02302	59.2
101.04889	0.9
107.04885	4.5
108.02065	0.8
109.06448	1.2
111.04324	0.7
113.02311	16.3
113.05935	3.2
119.03374	8.2
123.04382	11.9
123.08024	0.9
125.02313	49.7
125.05912	0.7
126.02604	0.7
131.03391	2.7
135.08060	1.2
137.05960	1.8
137.09598	0.6
141.05516	2.5
143.03372	7.4
147.08072	1.2
147.64920	0.4
149.04543	2.8
149.05946	4.4
153.05452	2.0
155.03378	1.5
161.03149	1.0
161.04427	9.1
163.11177	6.6
167.07043	0.8
179.05548	3.6
187.11240	3.4
199.96921	0.5
201.07610	0.9
203.05548	1.1
205.12282	38.4
221.06717	0.7
223.13333	2.3
224.09370	0.5
225.00691	2.1
300.82935	0.5
317.10944	0.6
337.95605	0.5
427.19800	1.3
467.87625	0.5
485.23965	1.3
529.23065	18.2
530.23541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83383	0.9
57.02217	2.3
57.03316	95.7
57.04523	1.4
58.00451	1.1
59.00095	2.0
59.01241	92.3
59.02486	1.4
71.00874	1.6
71.01241	28.8
72.99193	0.9
73.02803	26.2
79.05392	1.7
81.03310	5.1
83.01239	11.4
85.02806	9.1
87.00227	1.4
87.00735	3.1
89.02296	26.6
97.02792	1.3
97.06455	1.4
99.01875	2.3
99.04374	100.0
99.07156	1.5
100.99719	1.3
101.02300	64.6
111.04443	1.4
113.02296	14.0
113.05935	2.5
117.80369	1.0
119.03388	10.8
123.04408	8.2
123.08092	1.3
125.02310	48.3
125.03226	2.4
127.20535	1.2
128.03421	2.3
130.33112	1.1
131.03375	3.4
137.05902	2.7
137.09631	1.1
141.05486	2.1
143.03366	6.4
149.04443	3.6
153.09035	1.6
158.12196	1.2
161.04462	16.5
163.11172	4.0
165.09114	19.0
167.06990	1.8
175.07616	2.5
177.12555	1.4
179.05492	7.9
187.11140	5.4
190.09850	1.2
205.12267	30.7
221.06693	1.3
223.13356	15.6
257.65488	1.2
263.07690	1.9
323.09735	1.8
327.45673	1.2
367.17606	3.0
385.18628	16.2
427.19675	6.9
467.22879	2.2
485.23822	2.0
529.22949	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	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.3
57.03318	67.5
59.01243	77.1
59.02394	1.3
61.98693	3.2
71.01241	24.0
73.02800	13.2
75.00719	6.8
79.27853	0.9
81.03313	1.8
83.01239	4.8
85.02811	8.5
87.00741	2.6
89.02298	15.2
95.01270	1.9
96.42347	1.2
96.95863	1.6
97.02859	1.6
99.00775	1.7
99.04377	100.0
99.06880	1.6
101.02303	37.6
113.02308	17.0
113.05959	2.0
119.03374	5.3
123.04375	1.9
123.08052	1.6
125.02319	43.1
125.05890	2.1
128.03384	1.2
136.05193	2.1
138.06744	7.8
139.07542	2.9
143.03387	5.8
151.07533	7.8
152.07173	1.8
152.08330	13.2
153.09109	46.6
156.42334	1.1
161.04428	11.4
163.11209	1.9
165.09169	1.3
179.05544	2.8
205.12289	19.4
216.77557	1.1
223.13397	9.3
315.14468	2.2
323.09769	1.7
367.17603	33.5
385.18698	27.7
385.22354	0.8
427.19675	14.1
467.23087	3.4
485.23947	4.0
515.31012	1.3
529.22986	25.6
554.04645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18575	2.5
57.03317	88.8
59.01244	96.9
71.01245	32.5
73.02808	50.4
81.03303	5.7
83.01240	11.6
85.02816	7.9
85.09212	2.7
89.02309	27.6
96.95885	5.8
99.04379	100.0
101.02308	86.2
113.02322	26.7
113.05980	3.6
119.03400	12.6
123.04386	37.5
125.02325	43.9
128.03406	8.5
131.03375	8.1
135.97385	3.6
141.05449	4.4
143.03397	13.4
149.04439	9.4
150.43408	3.4
153.05449	8.4
161.04459	48.0
166.52124	3.4
179.05573	17.3
193.47887	3.4
221.06519	4.4
240.91354	3.7
263.07785	10.1
293.04626	3.8
323.09827	23.5
370.99545	3.9
529.23242	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	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04587	1.7
53.53422	1.5
54.25463	1.7
56.30368	1.9
57.02177	2.3
57.03316	100.0
59.01242	87.5
59.01471	1.3
59.01550	1.7
59.07884	1.6
61.62791	1.9
69.03265	2.2
71.01246	38.0
73.02803	42.9
76.16426	1.8
79.05384	2.6
81.03299	6.4
83.01244	13.4
83.35970	1.7
83.65508	2.0
85.02812	6.9
85.69700	2.2
89.02292	30.2
96.95853	3.0
97.02747	1.7
97.06458	3.5
99.03723	4.6
99.04375	93.0
101.02303	70.9
101.02963	4.4
109.64233	1.9
113.02306	24.8
113.05953	4.8
116.87666	2.0
119.03371	16.3
123.04388	31.0
125.02313	37.5
131.03383	2.9
141.05495	4.8
141.98615	1.9
143.03384	10.7
149.04440	5.9
149.24420	2.3
151.88499	2.4
153.05507	5.4
161.04451	53.3
179.05527	22.0
186.59129	2.2
203.05534	2.6
205.13403	2.5
233.06746	5.9
244.56496	2.4
263.07724	12.8
323.09793	17.2
448.54996	2.4
529.35028	2.8
546.90009	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34494	2.7
57.03299	2.8
59.01226	3.0
65.79628	2.7
69.03309	3.8
70.96777	2.6
71.01234	6.8
71.04865	3.9
72.02010	12.7
73.02795	4.1
75.51733	2.7
76.97964	3.3
84.19640	3.4
87.04365	42.0
96.95873	8.5
99.04424	3.5
109.06393	3.8
138.29356	3.3
139.07545	20.7
153.09099	19.4
205.19647	7.2
237.08864	3.5
261.22238	20.0
269.22717	6.7
287.23798	20.6
305.24847	100.0
345.07224	3.3
349.23923	21.8
349.28232	3.1
529.30481	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	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17226	0.1
74.28513	0.1
78.93917	0.3
78.95760	16.0
78.97810	0.2
80.12316	0.2
83.93932	0.1
85.37964	0.4
85.38480	0.3
96.63259	0.1
96.96796	0.3
110.12498	0.2
122.98421	0.4
143.98502	0.2
144.21158	0.1
152.99474	2.4
168.04202	2.9
170.08633	0.2
202.06316	0.2
203.38533	0.2
205.73030	0.1
224.06892	8.0
242.07944	1.6
255.12802	1.0
255.23288	100.0
256.23633	1.6
411.78357	0.2
480.30975	55.9
481.31390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.4
57.03306	3.1
59.01229	3.0
64.79726	0.6
66.11972	0.6
66.95287	0.6
69.83710	0.6
73.02805	6.0
75.82426	0.7
78.95737	0.9
83.01242	70.5
83.04829	0.8
85.02814	0.8
85.74553	1.3
87.13599	0.7
89.02315	1.0
91.03878	1.6
93.33881	0.6
101.02301	2.9
104.91949	0.9
113.20937	0.8
124.59200	0.8
140.14145	0.7
149.96306	0.6
157.04961	8.5
170.39433	0.9
175.06036	4.3
220.11819	1.7
234.43121	0.7
261.61520	0.8
275.20020	0.8
277.21738	100.0
278.22089	2.1
317.24792	0.9
359.56924	0.8
404.90710	1.4
435.27545	70.3
436.27719	2.6
457.56970	0.7
471.25290	3.3
480.33334	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	530.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.0
59.01247	5.5
71.17142	2.9
75.37960	2.9
76.62177	3.1
79.29721	3.0
79.44629	3.0
83.01235	46.2
84.38982	2.9
100.90749	3.0
111.85305	2.8
117.40058	3.1
133.51837	3.0
157.04964	21.2
175.06065	6.4
198.87489	3.8
267.23724	3.6
277.21753	100.0
435.27515	63.5
480.33737	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64270	1.1
59.01250	1.4
60.03714	1.0
61.98684	1.7
81.03320	2.7
83.04883	12.7
87.88070	1.2
92.02544	2.5
93.03352	1.4
96.95909	1.5
97.26731	1.2
106.04128	6.5
107.04887	19.9
108.02020	2.0
116.67545	1.0
121.02814	16.2
125.05933	7.7
133.02815	7.6
135.43117	1.2
151.03893	3.4
157.73537	1.2
162.34500	1.3
183.08139	2.1
185.06049	1.6
187.44385	1.4
197.05949	2.0
198.06833	2.3
210.06841	6.3
211.07597	53.7
211.10637	2.0
225.09167	3.6
237.09129	1.8
242.05899	4.0
297.09238	3.3
298.10028	2.3
299.10620	2.7
300.11578	4.2
305.11884	8.6
315.10376	5.2
317.11789	15.2
318.12418	6.6
331.09918	3.5
332.10269	2.1
333.11209	4.2
343.09964	3.7
350.11774	5.0
369.87451	1.3
403.13278	1.4
405.14835	3.0
407.16510	12.8
423.16083	3.1
425.17648	34.8
426.18030	2.5
451.15616	12.8
469.16568	100.0
470.16794	4.5
477.13394	3.6
487.17728	29.6
488.17242	1.6
495.14850	2.3
513.15546	39.0
514.15619	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	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34946	0.7
57.02102	1.5
57.03317	86.7
57.04445	1.5
58.00121	0.7
58.03666	0.8
58.99957	1.2
59.01242	100.0
66.30803	0.7
69.03361	0.8
69.46398	0.7
71.01238	19.7
72.99198	1.0
73.02805	9.4
73.03128	0.7
77.05313	0.8
80.31392	0.7
81.03331	1.7
83.01233	3.8
85.02802	6.2
89.02296	19.9
95.01260	1.2
99.00829	0.8
99.01576	1.2
99.04376	87.9
99.06974	1.2
101.02303	39.5
103.60975	1.1
113.02320	8.9
119.03381	7.4
123.04390	2.0
125.02315	38.1
125.03223	1.9
126.02738	1.1
131.03426	1.4
143.03444	3.8
149.04440	1.3
154.16203	0.9
161.04443	6.1
169.41188	0.8
173.09558	0.9
179.05620	2.4
187.89336	0.7
189.12819	9.1
207.13885	1.9
246.64102	0.8
264.63953	0.8
302.56052	0.9
387.20267	16.7
429.21567	4.5
487.25635	1.2
507.42636	1.0
531.24445	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	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02118	1.4
57.03316	73.0
57.04354	1.3
59.00002	2.2
59.01242	100.0
67.47006	0.9
71.01240	24.4
73.02808	6.9
81.03297	2.1
82.85646	1.0
83.01215	2.7
85.02794	7.4
87.00732	1.5
89.02293	17.8
96.95906	2.8
97.02853	1.1
99.00733	2.7
99.01716	1.4
99.04376	87.4
100.04729	1.3
101.02303	37.5
109.94342	1.1
113.02308	13.6
119.03354	7.0
125.02311	32.6
128.03372	1.5
143.03384	5.1
159.09839	1.4
161.04454	10.6
163.11180	1.9
175.02452	1.6
283.06110	3.3
299.15125	1.4
317.16058	25.3
355.04944	1.7
359.17108	4.3
364.83698	1.7
387.20294	3.0
388.16818	1.3
399.19977	1.9
429.21671	2.5
531.17139	1.7
531.24561	21.0
531.32507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68989	1.0
55.01767	2.5
57.03312	2.7
59.01224	2.7
61.98706	1.2
66.19901	1.1
73.02790	2.7
83.01238	58.4
86.26856	1.1
86.27308	1.1
89.02319	1.3
91.03893	1.3
93.78349	1.0
101.02319	1.3
120.98193	1.0
152.99416	1.4
157.04953	5.6
159.54460	1.5
175.06026	3.9
189.08640	1.4
202.10780	1.3
279.23288	100.0
280.23514	1.2
287.64029	1.2
289.43497	1.2
354.50146	1.4
359.38843	1.3
401.39075	1.6
437.29135	64.7
473.26880	4.0
482.34842	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	532.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34770	0.3
55.01749	0.6
57.03314	3.0
59.00125	1.5
59.01242	100.0
59.02518	1.4
60.01597	0.3
65.34970	0.4
71.01259	0.4
73.02811	1.0
81.03294	0.4
83.01239	12.4
83.04871	0.6
85.02801	0.5
89.02331	0.5
91.03857	2.2
99.49019	0.3
101.02303	3.6
102.70107	0.4
119.03379	0.7
148.63390	0.8
157.03729	0.7
157.04950	9.2
164.06023	0.3
175.06029	14.5
193.07108	3.1
202.10811	0.8
215.70747	0.4
218.94629	1.2
249.23041	0.4
255.23291	59.2
256.23648	1.6
302.31445	0.5
388.50314	0.3
413.29105	7.0
431.30151	43.4
432.30441	1.5
458.34888	1.5
473.31174	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	532.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74760	0.8
52.36568	0.8
55.01742	1.5
57.03308	1.2
57.45946	0.8
59.00106	2.1
59.01243	100.0
59.02495	1.4
59.94702	1.0
61.98698	1.5
62.21057	0.9
62.76694	0.8
71.15454	0.9
73.02792	2.5
83.01241	10.9
91.03858	3.9
101.02294	3.4
119.03370	1.9
157.04956	1.6
175.06017	4.6
193.07152	6.1
218.94958	1.3
255.23296	49.1
413.29147	6.8
431.30157	45.0
432.30652	1.7
434.93851	1.2
458.34796	3.5
469.79236	1.1
473.31360	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	533.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44903	0.5
58.38451	0.9
63.75652	0.6
75.23424	0.5
81.03307	0.6
83.54987	0.6
89.83089	0.6
90.53720	0.6
91.73325	0.6
93.03303	4.1
95.04845	0.8
96.95844	1.3
98.77679	0.6
106.04101	13.2
107.04890	24.0
108.02013	2.3
121.02802	3.8
128.03377	1.0
134.74020	0.6
138.03105	1.0
171.08086	0.8
213.09160	37.3
214.09541	1.1
257.08191	100.0
258.08447	2.2
275.09238	2.1
301.19089	0.7
315.50439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85344	1.4
70.81791	1.6
78.95760	19.4
107.03786	1.6
109.53691	1.7
127.71054	2.0
140.01083	4.9
141.27437	1.7
196.03702	10.3
211.83611	1.8
255.23288	100.0
256.23724	4.6
270.93445	2.2
389.38461	2.2
450.57013	2.3
452.27945	48.9
453.28232	2.1
539.89240	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	535.0374
Annotation	UDP-L-arabinofuranose
Peak:m/z	Relative Intensity
54.31968	0.3
59.01247	0.8
62.96267	0.4
65.53524	0.3
68.03818	0.4
68.08086	0.3
75.45048	0.4
78.93755	1.2
78.95760	100.0
78.97529	1.5
96.96820	40.7
96.99249	0.7
111.01863	11.1
120.96856	0.8
138.97900	4.3
150.97910	5.1
158.92433	17.8
174.97937	1.5
176.93460	0.7
187.98317	0.4
192.99001	1.7
208.18071	0.5
211.00067	9.1
272.95758	5.7
280.02344	2.5
290.96707	2.6
305.01846	1.3
308.86163	1.4
323.02863	61.8
324.03400	0.7
384.98434	4.7
392.61719	0.4
402.99356	2.1
504.22073	0.5
535.03693	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	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02076	0.3
57.03315	18.5
57.04421	0.4
57.93470	0.1
58.03645	0.2
59.01242	0.9
62.76611	0.1
71.01237	1.5
72.00777	0.1
73.02792	0.4
81.03320	0.5
81.58960	0.1
83.01236	0.3
85.02802	1.1
85.64389	0.3
93.03313	2.0
95.01240	0.1
96.76823	0.1
97.02770	0.2
97.52956	0.1
99.04373	7.3
100.04755	0.2
101.02299	6.4
106.04108	1.8
107.04890	0.6
108.02029	19.5
108.04955	0.3
109.02871	1.1
113.02301	0.7
119.04913	0.3
121.02817	4.6
121.06435	0.2
122.03600	9.5
122.07060	0.2
123.00393	0.3
123.04385	44.7
123.07901	0.6
124.04716	0.5
125.02309	7.2
134.03673	0.1
135.04433	0.4
137.02316	0.5
143.03430	0.5
149.06001	0.3
161.04440	2.2
213.72194	0.2
227.07121	0.5
228.07950	1.0
229.08661	100.0
229.17526	1.0
230.08978	3.1
255.10240	0.4
271.09781	0.5
373.12936	4.1
374.13165	0.2
391.14020	11.8
392.14288	0.5
433.15063	2.7
473.18347	0.7
535.18103	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03081	0.3
57.03320	5.2
59.01230	0.6
67.15848	0.3
91.74289	0.4
96.95815	0.5
101.02299	1.4
107.04887	15.6
121.02823	6.5
122.03610	16.0
136.86964	0.4
137.02307	0.8
154.02585	1.4
220.08002	0.5
227.07146	0.5
228.99713	0.9
229.08670	100.0
230.09041	1.9
255.16953	0.4
373.12991	0.8
391.14001	7.8
433.15186	2.0
535.18256	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	535.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	20.4
64.02225	3.6
71.01234	11.7
80.54492	3.3
89.02296	4.0
101.02283	3.9
109.12333	3.9
113.02307	4.3
187.60056	4.2
295.22803	7.4
313.23834	33.7
345.25409	4.0
475.29230	34.1
535.31268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02196	0.2
57.03331	0.2
59.01243	8.5
60.01575	1.1
61.01670	1.0
61.97427	2.0
61.98693	100.0
62.00159	0.9
80.61673	0.2
83.01244	1.0
84.01588	0.2
125.87242	0.3
127.86914	0.3
157.04962	0.3
158.05319	0.3
164.25740	0.2
170.39246	0.2
175.06099	0.3
176.06430	0.3
177.06517	0.3
255.23325	1.9
256.23660	1.8
257.23972	1.5
258.24072	0.4
432.30582	0.5
433.30762	1.6
434.30917	1.8
437.70511	0.2
475.32507	0.3
476.31989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50162	1.0
54.91187	1.1
58.02843	6.6
59.89360	1.2
62.80239	1.2
71.01225	1.8
72.00763	1.6
72.04424	1.3
74.00565	9.4
74.02333	9.0
78.89609	1.4
78.95782	1.9
81.04440	1.4
82.02832	8.5
84.04389	2.7
85.03919	5.6
86.02332	11.6
86.98938	2.1
87.05509	3.1
92.51587	1.4
92.81691	1.4
96.04440	1.9
96.96783	3.4
97.03936	9.3
98.02343	1.5
99.01934	1.3
99.05496	10.0
100.00261	10.8
102.05463	3.0
107.06008	3.1
108.04418	2.9
109.03924	6.6
110.02303	1.4
111.03101	1.7
111.05496	5.8
111.06161	1.2
112.03893	2.7
113.03448	2.6
116.01598	1.4
123.05499	4.5
124.03950	2.0
125.03452	7.1
125.07088	2.0
126.04237	1.9
127.05027	12.1
128.03409	88.1
135.05528	7.9
137.07130	3.3
139.05029	3.3
140.01633	2.7
141.06560	5.0
143.04501	22.0
144.01123	6.4
145.06081	3.7
146.04463	6.4
151.05020	9.5
152.08221	2.1
153.06570	25.6
155.02791	2.3
155.08144	2.9
160.00647	18.6
164.08177	5.1
165.18614	1.4
166.09767	1.3
167.04602	1.6
167.08220	6.8
169.06091	2.9
170.03288	2.9
171.04065	2.7
175.01672	2.8
178.09735	1.5
179.04530	11.6
180.07748	6.4
181.06058	6.9
182.09296	1.8
185.03868	4.3
185.05630	4.6
192.07654	1.9
196.07187	1.7
197.05638	13.0
198.08809	2.1
208.07291	1.7
210.08763	7.3
222.08792	1.9
229.02769	1.7
231.04466	2.0
252.06186	2.7
254.07774	15.1
259.00470	1.4
266.08069	1.6
272.09143	2.5
279.11014	2.3
286.05237	2.1
288.06631	5.0
306.07709	2.9
320.03915	1.8
323.10168	2.4
341.11136	7.2
370.94974	1.4
373.08298	6.5
383.12149	3.9
395.12024	2.5
401.11569	2.8
407.06750	7.0
408.15271	2.0
433.10193	1.8
435.10406	6.1
452.14560	7.5
461.08456	3.2
470.15308	31.4
484.11395	4.0
502.12531	12.5
518.09991	9.0
536.11328	100.0
537.11658	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	536.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26710	0.1
54.03774	0.1
61.44400	0.1
64.96900	0.1
73.44447	0.1
78.26147	0.1
78.92161	0.1
79.95589	15.3
79.97451	0.2
80.96376	0.9
86.11581	0.1
106.97950	1.9
139.57649	0.1
145.15715	0.1
162.35782	0.1
171.78897	0.1
194.04855	100.0
194.11769	1.1
195.05164	1.8
307.14297	0.1
482.07681	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	536.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42265	0.9
55.93446	1.0
57.03316	57.0
57.04443	1.1
58.00455	1.1
58.03649	1.2
59.01242	59.6
59.02438	1.1
59.28708	1.0
59.34818	1.0
61.98693	100.0
61.99974	2.0
71.01237	23.9
72.99122	1.1
73.02806	30.9
74.70876	1.5
79.05392	2.3
81.03324	3.1
83.01234	8.0
84.87801	1.1
85.02806	4.9
87.00736	1.5
88.98687	1.2
89.02301	17.2
91.72672	2.7
93.03327	1.1
95.01221	1.5
95.04852	1.4
97.02795	1.7
97.06473	1.8
99.04375	77.2
101.02304	57.1
108.02044	6.9
109.02332	1.8
109.06459	1.5
113.02313	22.5
113.05987	2.7
119.03378	9.1
121.02817	3.9
122.03587	5.6
123.04400	33.0
124.04742	4.1
125.02312	46.9
131.03394	4.2
141.05405	3.8
143.03378	10.7
149.04427	10.4
153.05493	2.7
155.03484	1.6
161.04443	23.2
179.05534	4.9
203.05621	1.9
209.41705	1.5
221.06677	7.9
229.08662	43.1
230.09015	21.6
263.07880	1.6
293.28897	1.5
368.58322	1.4
375.64938	1.3
391.13928	6.6
392.14471	9.9
429.21207	6.9
434.15408	4.0
473.20334	52.7
505.64139	1.5
536.18719	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42520	1.8
57.03315	34.8
59.01239	35.7
59.04666	1.9
59.12157	1.8
61.98693	100.0
71.01237	13.1
73.02808	14.3
80.63605	2.4
83.01244	3.8
89.02311	11.3
91.73376	6.3
99.04375	55.2
101.02302	35.1
107.01186	2.1
108.66116	2.3
112.86736	2.3
113.02315	15.5
114.82035	2.5
119.03371	7.6
120.04366	2.5
123.04380	12.4
124.95969	2.3
125.02319	28.3
143.03459	5.9
149.04443	7.0
153.05429	2.8
161.04449	24.9
179.05519	6.6
203.05795	3.0
221.06635	4.4
263.07761	9.4
279.11380	3.8
285.04150	15.9
286.04221	3.2
323.09949	20.3
473.20273	39.4
484.01614	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	536.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.9
77.81081	1.1
80.04915	15.9
96.95876	1.7
104.04935	8.3
106.06480	15.7
107.03632	1.4
108.04420	5.7
108.08055	3.0
120.68105	1.2
121.05230	2.2
122.05992	27.4
130.06462	1.9
132.04436	4.4
134.05991	76.7
136.07570	23.2
145.05292	1.5
146.06046	7.4
146.07045	1.4
147.03162	1.2
148.03915	8.8
148.07556	4.4
150.05533	1.7
151.35425	1.3
152.07062	70.0
152.71570	1.4
157.27597	1.3
160.03941	5.4
160.07581	2.2
162.05515	1.4
163.03976	1.5
173.04829	2.0
174.05505	6.3
175.85130	1.2
180.06613	13.0
186.05508	3.0
188.07097	40.7
190.05042	1.8
210.07985	2.3
211.08701	10.1
213.56310	1.2
223.08684	1.9
224.09543	2.9
225.10263	14.6
226.11053	4.2
227.11877	10.0
229.08688	1.9
234.07933	2.2
235.08751	4.3
236.09560	1.8
237.10359	4.5
238.07507	4.3
239.08362	2.2
239.11841	2.4
245.12976	3.8
248.09441	2.0
249.10400	4.2
250.07530	2.8
250.11185	1.3
251.08200	6.8
251.12001	4.4
252.09045	3.7
253.09795	22.6
263.08365	3.6
264.09082	4.7
265.06989	1.6
265.09854	12.5
267.07776	1.3
267.08679	1.5
267.11423	10.8
267.14050	1.8
269.09259	1.8
276.09268	1.9
277.09854	12.8
278.07199	2.9
278.10379	2.1
279.08151	7.1
279.11383	6.9
280.08588	2.3
291.07867	4.1
292.08386	3.0
293.09344	20.7
294.10114	8.0
295.10889	86.5
296.11282	2.8
305.09308	9.8
307.07721	2.5
307.10907	25.8
311.10596	1.6
321.09033	1.8
323.10446	3.2
339.09805	2.7
358.01666	1.4
374.18756	1.8
398.19070	2.3
400.17172	1.5
414.18198	4.9
418.18100	2.9
430.17807	17.5
440.16089	2.0
442.17792	44.4
443.18082	2.1
458.17047	2.4
460.18842	77.6
461.19205	4.9
468.15881	2.8
474.16812	25.1
486.16742	58.5
487.17133	3.3
504.17838	100.0
505.18112	5.5
506.19394	4.0
518.19434	10.9
536.20447	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	536.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54586	0.7
57.63516	0.8
58.35714	1.0
59.01234	3.0
80.04916	17.5
82.64013	0.8
94.06498	1.7
97.27927	0.7
101.72991	0.8
104.04933	7.0
104.06792	0.8
106.06487	17.6
107.03648	1.5
108.04421	6.5
108.08045	3.0
116.04916	0.7
118.06512	1.2
120.04421	1.4
120.36240	0.8
121.05179	2.4
122.05986	26.2
124.07555	1.7
130.06511	3.6
132.04446	3.9
134.05995	78.8
136.07559	25.2
145.05205	1.3
146.05981	6.6
147.03198	1.3
148.03935	7.9
148.07555	3.6
150.05479	1.6
152.07063	64.1
155.23718	0.9
160.03937	4.8
160.07596	3.2
162.05495	1.9
166.08646	1.5
172.03941	1.1
173.04744	2.6
174.05522	7.6
180.06589	13.2
186.05539	3.1
187.06262	1.0
188.07098	45.1
190.05034	1.4
195.09349	1.0
197.07097	1.4
197.10770	1.7
209.10809	1.5
210.07928	3.4
211.08701	9.6
214.04895	1.0
215.11876	2.7
223.08775	3.1
223.12355	2.0
224.09451	1.7
225.06664	0.9
225.10272	15.2
226.10947	4.1
227.11874	12.7
233.10829	1.2
234.07985	1.7
235.08748	3.8
236.09602	1.4
237.10257	5.8
238.07449	5.5
239.08160	2.3
239.11882	3.3
245.12982	3.1
248.09541	2.3
249.10358	4.9
250.07512	3.6
250.96988	0.8
251.08241	7.3
251.11893	5.7
252.09016	5.9
253.09804	23.6
254.10490	1.2
261.79013	0.8
262.07574	2.3
263.08380	4.2
264.09033	4.0
265.07053	1.5
265.09799	11.4
266.10757	1.8
267.08359	1.5
267.11328	10.7
276.08957	1.4
277.06747	1.7
277.09772	12.0
278.06964	3.0
278.10629	1.9
279.07764	10.7
279.11398	4.7
280.08563	2.7
289.09802	1.1
291.07886	4.9
292.08578	6.2
293.09323	23.4
294.10114	6.5
295.10892	79.2
296.11249	2.8
304.04190	0.8
305.09332	8.0
306.10049	1.8
307.10870	27.3
308.07965	0.9
308.11429	1.2
313.12088	1.6
321.08954	4.5
321.12274	0.9
323.10437	5.2
333.08990	1.0
338.09201	1.4
339.09753	1.6
351.09857	1.7
358.15656	1.0
372.17325	1.0
374.18921	1.1
380.36218	1.0
386.14886	1.5
388.16809	1.0
398.18839	1.9
399.16043	1.2
400.16663	1.2
414.18600	5.7
418.17746	1.9
426.14459	0.9
430.17746	19.1
440.16208	1.6
442.17767	48.8
443.18021	1.7
458.17429	2.3
460.18839	76.6
461.19113	2.8
468.15659	3.1
474.16766	25.9
486.16730	69.0
487.16956	3.1
504.17816	100.0
505.17905	4.8
506.19092	4.4
518.19336	12.2
536.20422	18.5
537.21228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06136	0.2
57.03307	0.5
59.01239	1.8
71.01230	1.1
72.99164	0.4
75.00726	10.8
78.95757	31.8
78.97654	0.4
79.95584	5.3
80.96382	0.4
85.02802	0.7
87.00729	1.9
89.02295	1.0
96.94549	1.0
96.96816	100.0
96.99448	1.4
97.99905	0.2
99.00719	2.0
101.02312	0.5
105.01774	0.2
106.97946	0.7
108.01114	0.3
119.03400	0.3
119.53169	0.3
129.01801	5.8
151.00562	0.3
158.92400	1.7
159.02841	0.6
163.02455	0.3
176.93486	9.0
177.03986	0.8
193.03432	0.3
194.04849	29.7
194.94582	9.5
195.05035	41.0
214.93463	0.3
226.95056	0.3
341.10892	0.8
439.08606	11.7
440.08588	0.5
514.14532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52528	0.8
69.72709	0.8
70.05347	0.9
78.95760	12.5
91.77022	0.8
91.92579	0.7
96.96821	25.3
119.04883	0.9
182.14410	0.8
229.05142	0.8
242.66714	0.9
285.04395	1.5
299.02621	0.9
321.95868	0.9
343.01956	0.9
343.06332	1.6
359.05966	2.0
387.05655	5.6
389.07211	4.0
404.05945	1.5
449.10712	1.0
461.13562	3.9
476.08646	1.0
477.10245	100.0
478.10385	3.9
495.11383	2.0
509.09076	1.3
537.12158	9.8
539.10431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22808	0.5
58.38440	1.1
59.35776	0.5
78.96192	0.6
81.03316	0.7
91.72987	1.2
93.03298	2.7
105.98479	0.6
106.04102	13.7
107.04887	23.6
108.02010	1.4
121.02834	3.0
171.08099	1.2
213.09154	38.4
235.07417	0.8
257.08185	100.0
258.08585	1.3
258.75977	0.8
368.25607	0.7
379.41061	0.7
537.15332	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70123	0.1
57.03296	0.3
57.14469	0.2
57.22434	0.1
57.30856	0.1
58.00460	0.2
59.01240	8.7
59.02452	0.2
64.80859	0.2
66.81281	0.2
67.74524	0.2
69.03318	0.3
69.59932	0.2
71.01235	7.5
72.99152	0.7
73.02799	3.4
81.03368	0.2
83.01235	0.8
83.83601	0.2
84.60217	0.2
85.02284	0.3
85.02804	5.3
85.99944	0.4
87.00732	2.1
87.04366	0.6
89.02297	2.5
93.03314	4.2
94.94589	0.2
95.01224	0.3
96.95851	0.5
97.02815	0.4
99.00734	0.5
99.04362	0.7
101.02302	4.4
103.03875	1.1
103.08334	0.2
106.04107	2.8
107.04874	0.7
108.02028	21.9
109.02224	0.2
109.02828	2.4
113.02306	4.3
115.03868	1.1
119.03400	0.2
119.04891	0.5
120.01107	0.5
121.02818	28.9
121.06337	0.4
121.99528	0.2
122.03606	17.7
123.04384	50.0
123.08078	0.6
124.04742	0.3
125.02274	0.5
127.03854	0.3
131.03380	1.5
134.03584	0.6
135.04384	1.7
136.01529	0.3
137.02277	1.1
137.05952	0.7
143.03381	2.9
145.04884	0.5
147.04370	0.9
149.06001	0.6
150.03058	0.2
159.02902	0.4
159.04333	0.2
161.04445	2.7
162.03146	0.4
163.06062	0.7
165.05424	0.4
177.05507	2.1
205.07111	2.3
227.07045	0.5
228.07883	24.5
229.08658	100.0
229.18088	0.9
230.09012	1.7
243.10333	0.4
253.08649	0.5
269.12585	0.2
271.09756	2.6
283.09756	4.2
307.10187	0.4
373.08081	0.4
373.12930	7.5
378.91312	0.2
391.08887	0.4
391.14017	8.4
537.19806	43.4
538.20020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31827	0.8
54.19443	0.9
55.64628	0.9
59.01236	1.4
60.75081	1.0
79.85944	0.9
91.03860	2.0
96.69743	1.0
104.50025	1.1
107.19468	1.3
108.02048	2.6
116.48463	1.0
117.03347	1.8
119.04943	1.5
121.02849	1.4
132.02055	6.6
133.02835	6.9
134.03607	2.4
136.01483	1.3
137.02382	1.3
145.02840	4.7
147.04369	2.6
149.05968	1.5
159.04399	1.9
160.01563	21.7
160.05151	3.5
173.02336	1.6
175.03886	20.0
175.05275	1.7
189.01808	2.4
190.02673	3.3
193.05013	5.1
203.03462	4.4
204.04333	2.3
205.05083	2.3
217.01367	1.4
231.02982	2.9
232.03815	3.4
241.21794	2.8
253.38824	1.4
287.22324	5.3
300.14783	1.2
311.22293	9.8
346.62210	1.2
358.25247	1.9
360.26831	1.6
385.23923	2.6
386.24481	1.9
386.87320	1.2
401.19427	1.8
402.24158	4.9
430.23697	14.9
445.25995	100.0
446.26456	3.2
459.05658	1.2
463.27170	2.8
537.30676	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	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87638	1.2
54.70605	1.1
57.03315	1.2
59.01234	2.8
68.76517	1.1
77.67303	1.1
89.02329	1.7
91.03851	3.5
93.91338	1.3
108.02014	2.6
109.95962	1.2
117.03354	1.5
117.48806	1.2
119.04876	2.2
132.02048	9.4
133.02831	10.6
133.27364	1.4
134.03636	12.4
136.01483	1.9
137.02307	1.7
141.13333	1.2
145.02863	4.0
147.04425	3.6
149.05956	1.3
159.04408	2.2
160.01552	37.2
160.05193	3.0
162.03140	2.4
175.03917	39.0
178.02617	1.5
190.02628	4.3
193.05013	14.5
203.03496	7.1
205.04877	2.5
217.01375	1.6
224.31380	1.5
227.18170	1.3
232.03769	2.5
239.20453	2.1
241.21777	4.3
280.01334	1.4
287.22208	10.7
311.22330	18.3
358.25150	1.9
375.29260	1.8
386.24554	1.8
387.21588	1.6
402.24170	6.6
404.37198	1.5
414.24182	1.7
419.27844	2.3
430.23651	16.0
445.25986	100.0
446.26520	3.1
463.27188	6.3
537.30719	61.3
538.30426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82750	1.0
59.01241	4.5
60.61095	1.0
65.93305	1.1
80.04916	5.0
83.47382	0.9
86.02354	1.0
94.06481	2.2
96.95870	3.2
98.38776	1.0
106.06499	4.9
107.03658	1.3
108.04412	15.3
108.08057	5.2
118.06525	1.2
120.04412	25.9
121.05164	1.5
122.05978	16.1
132.04433	6.6
132.07991	1.4
134.05998	10.3
136.07553	12.5
138.05482	7.7
146.05989	3.7
148.07587	2.2
150.05486	15.3
152.07045	9.8
160.07600	3.7
162.05501	2.5
162.09137	21.3
168.06592	4.4
180.06560	29.6
188.07141	2.0
196.06459	1.3
206.08218	4.8
211.08725	4.5
212.31352	1.1
216.80473	1.2
223.08781	2.8
224.09526	1.8
225.10327	7.1
227.11899	3.5
237.10324	2.1
238.11163	2.5
239.08250	2.5
239.11880	4.7
241.09875	3.9
250.37848	1.5
252.08937	2.2
253.09897	9.5
253.13399	3.3
265.09879	4.9
266.10638	4.4
267.11383	7.5
269.12946	4.2
281.12973	9.7
283.10867	6.0
285.12521	5.4
295.10889	13.4
313.11954	10.7
325.11887	1.9
432.19437	1.9
436.18579	2.1
446.17340	4.3
448.18817	8.1
456.41757	1.5
458.17252	3.8
464.18301	32.8
465.18213	1.6
476.18280	100.0
477.18591	4.4
494.19363	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	538.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	4.3
59.00967	1.7
59.01244	20.4
61.03203	1.2
61.20580	1.0
67.06730	1.1
71.01238	39.5
72.49120	1.1
73.02811	4.0
73.83910	1.0
77.67091	1.0
83.01237	2.6
85.02801	2.3
85.06444	14.8
88.03888	6.5
88.64027	1.2
89.02298	8.2
96.95870	2.4
99.04395	2.1
101.02301	10.8
105.09573	1.3
110.21962	1.2
113.02314	5.9
113.05954	3.1
115.55862	1.3
119.03368	2.6
119.20966	1.2
120.01065	1.5
130.08632	1.8
142.08643	2.6
160.09685	61.1
161.04477	2.1
214.10924	1.8
256.72791	1.3
277.13153	1.5
304.13965	2.7
322.15042	9.1
371.62610	1.5
376.16284	3.9
394.17206	100.0
395.17734	1.6
414.55429	1.6
426.11801	1.4
436.18283	37.7
476.21323	4.9
538.21442	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	539.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94157	0.4
52.35120	0.5
58.87773	0.8
59.01242	3.1
67.75503	0.5
71.04803	0.5
72.99166	0.6
73.02790	0.5
76.84173	0.5
85.06430	2.0
87.93838	0.6
91.03860	0.8
93.03277	1.5
93.79044	0.7
96.81736	0.5
101.05927	2.1
117.03329	15.3
118.04120	1.0
119.04894	22.4
120.12450	0.5
121.02796	2.0
122.50618	0.7
122.51374	0.6
123.04388	1.0
123.92389	0.7
129.03308	2.4
130.04150	3.2
132.05663	1.3
133.02771	0.6
134.03584	1.7
145.02834	36.8
147.04349	0.6
158.03616	0.7
158.07262	1.5
163.03920	19.7
169.12231	1.0
169.36519	0.5
174.03111	3.0
174.99071	1.1
175.03864	1.1
183.13858	1.8
198.59210	0.6
199.13377	2.2
202.02628	2.0
215.03429	2.4
217.00223	2.9
271.17090	0.9
273.18671	1.3
275.16519	0.8
301.20230	1.6
303.19650	1.6
305.17618	1.1
319.21271	33.8
320.21640	1.0
343.21317	9.3
357.17151	1.3
374.98996	0.9
379.24829	3.2
403.24969	1.3
419.24310	0.9
421.26163	1.0
447.23904	100.0
448.24213	2.9
465.24954	6.2
472.09030	0.6
490.24554	0.6
539.28668	43.6
540.28882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	10.4
68.80791	2.6
69.93145	2.8
74.40909	2.5
91.71002	2.6
115.99181	3.3
117.03331	22.1
119.04884	28.9
119.33318	2.8
145.02826	48.6
163.03918	34.8
174.99228	5.1
179.73340	3.2
205.91048	3.3
217.00247	18.5
319.21219	41.9
343.21426	9.3
374.99173	13.2
447.23898	100.0
465.24994	5.4
519.66650	4.3
539.28662	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	540.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.6
61.98690	13.5
71.01220	1.6
77.30746	1.6
80.04905	3.0
94.02854	2.8
94.06489	1.8
96.95884	3.6
108.04411	51.0
110.05981	4.4
115.00256	3.0
120.04409	12.1
121.05261	1.8
122.02388	2.3
122.05093	4.2
122.05984	71.7
131.03642	4.8
132.04419	14.6
134.05983	12.0
136.03925	4.4
138.05486	70.6
144.04430	2.3
145.05016	1.8
148.03947	6.0
149.04689	7.9
150.05493	56.8
151.06267	1.8
152.07100	12.9
158.02356	6.7
160.03929	9.9
162.05511	7.1
166.05049	3.0
168.06558	47.8
172.03958	3.8
173.07359	1.9
174.05537	4.0
175.02480	8.6
176.03401	7.3
190.05034	37.6
192.06642	3.6
202.04932	2.3
213.10526	1.9
221.07248	3.8
222.08018	2.5
223.08673	4.5
223.20561	1.8
224.09534	7.3
227.08365	2.8
227.11870	2.3
235.08803	5.0
237.10201	10.1
238.07559	3.0
239.08217	4.3
239.11871	27.7
240.10379	3.7
241.09776	5.6
249.06651	4.4
250.07224	2.6
251.08295	5.0
251.11859	4.1
253.06259	12.4
253.09846	4.9
255.11403	3.5
263.08240	5.3
264.09067	3.4
265.06128	3.6
265.09866	25.9
266.06989	13.5
266.10507	2.7
267.07761	6.0
267.11533	3.2
268.08533	7.8
277.06012	2.1
277.09845	2.3
278.07147	4.1
279.07938	9.0
279.10757	1.8
280.08670	10.3
281.09317	39.9
283.10895	83.0
289.06216	2.0
291.07831	2.5
292.08514	6.2
293.09329	23.9
294.10001	2.8
295.10941	27.6
307.07349	3.4
309.08847	13.3
310.09396	4.0
313.11978	4.6
315.13477	3.9
316.06467	4.0
321.08847	5.8
323.10403	20.6
324.11160	12.3
325.11859	2.8
327.10303	3.5
333.36508	1.9
335.10446	2.1
339.10034	4.8
340.10559	2.7
342.12384	2.6
344.10400	2.3
353.11426	7.5
354.12238	37.2
355.13098	3.8
357.10687	2.5
371.12894	2.6
372.13400	3.0
373.15659	2.8
374.14999	2.5
388.16702	5.1
398.15057	2.4
400.12906	4.8
401.13812	3.9
416.16211	67.8
417.16376	3.0
428.15988	12.4
434.17261	6.0
446.17343	55.4
447.17313	3.5
460.15100	33.4
464.18845	10.3
468.63348	2.2
472.15128	6.8
478.16193	25.1
490.16217	85.2
491.16202	3.0
492.18030	16.1
496.21164	3.0
504.17657	4.9
508.17242	100.0
509.17447	2.8
510.18604	20.4
522.18842	51.2
522.26556	2.6
540.19928	91.4
541.20367	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	540.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56105	0.9
72.61240	1.0
80.04891	1.5
87.00736	43.4
88.00256	10.5
88.01068	2.2
88.03461	0.9
88.03876	5.6
88.98650	1.7
91.39575	1.3
94.02862	1.2
94.06509	1.7
96.95882	2.2
102.03325	1.8
104.04901	1.7
108.04409	13.6
120.04420	81.6
122.05984	18.1
131.03648	2.7
132.04427	14.3
134.06017	2.2
135.03172	1.3
136.03958	2.4
138.05493	21.8
144.04489	1.2
147.03137	1.7
150.05496	55.4
151.06323	1.6
152.07027	2.5
158.02379	3.5
160.03932	7.0
162.05498	3.4
164.25223	1.4
168.06558	27.5
174.05495	2.5
176.03435	6.6
176.07123	1.7
190.05016	17.7
206.08647	1.3
209.10794	1.2
211.12357	3.8
215.11891	3.8
223.08652	5.7
224.09396	7.6
225.08293	1.3
227.08107	2.2
235.08743	2.1
236.09720	1.5
237.10416	1.9
239.08290	2.7
239.11890	30.2
240.10318	4.2
241.09909	4.4
249.06900	2.0
251.08339	2.2
251.11884	3.0
253.06247	9.2
253.09911	4.4
254.06779	1.2
255.07787	4.2
255.11386	3.2
263.08218	1.5
265.06171	1.9
265.09814	6.0
266.06961	2.5
267.07788	6.9
267.11322	1.9
268.08557	8.1
279.07755	3.3
280.08539	2.6
281.09390	9.3
282.10175	2.7
283.10892	100.0
284.11365	2.4
291.07605	1.4
292.08441	2.3
293.09326	5.8
295.10861	15.9
296.08240	1.3
298.09576	2.2
309.08942	2.5
310.09558	2.0
311.10541	2.3
321.08813	3.6
327.09973	2.7
328.10614	3.5
339.09918	4.3
340.10675	3.4
341.11917	1.8
357.11185	2.7
371.12482	1.6
388.16562	1.6
400.13098	1.8
401.13895	1.7
416.16211	4.2
418.17978	2.1
434.17169	11.2
444.15756	1.5
446.17307	39.0
462.16864	1.5
464.18295	24.0
472.15286	3.4
478.16022	24.9
490.16235	86.5
491.16821	4.6
508.17273	91.3
509.17319	2.9
510.18655	4.5
522.18805	12.9
540.19965	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	540.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71835	1.2
54.51335	1.3
58.43596	1.2
68.80309	1.3
81.98028	1.3
95.03385	1.4
104.04918	2.0
104.95466	1.3
107.03596	1.4
108.04411	12.9
110.05947	1.4
120.04416	97.5
122.05988	17.7
131.03639	3.2
132.04439	16.8
134.05975	3.9
136.03976	1.4
136.42984	1.6
138.05476	24.3
150.05498	63.6
151.06361	3.4
152.07068	3.5
156.23196	1.5
158.02332	7.9
160.03929	10.0
162.05560	2.9
168.06564	32.8
168.07866	3.1
172.03870	1.8
174.05496	4.3
176.03456	11.4
176.07013	1.9
190.05019	41.0
191.05711	2.7
202.36394	1.6
211.12303	2.5
215.11885	4.3
223.08748	4.3
224.09465	6.6
227.12038	1.7
235.08807	2.2
236.09630	3.2
237.10332	2.1
239.11852	27.7
240.10243	6.4
241.09766	2.5
250.07430	1.8
251.08168	4.2
251.11835	4.7
253.06186	10.0
253.09807	6.2
255.07762	1.7
255.11462	2.5
265.06314	2.7
265.09845	8.3
266.07050	2.5
267.07788	5.9
267.11197	3.2
268.08524	7.2
277.06149	2.0
279.07669	2.5
280.08490	4.3
281.09335	13.5
282.09998	3.8
283.10886	100.0
284.11453	3.6
292.08447	2.3
293.09177	8.2
295.10852	19.8
309.08755	4.1
311.10400	3.3
312.11035	1.9
315.13748	3.7
321.08832	3.2
322.09409	1.8
327.09888	3.6
339.09799	5.4
340.10623	4.6
340.46851	1.7
353.11520	3.8
357.10907	4.2
371.12561	4.2
372.17355	1.9
416.16104	4.5
434.17276	7.6
444.15866	2.6
446.17224	28.8
460.14780	1.9
464.18240	18.2
472.15836	1.8
478.15128	10.8
490.16217	84.2
491.16586	3.5
496.21295	7.3
508.17245	62.5
509.17502	2.2
510.18701	15.1
522.18823	55.4
523.18768	2.5
540.11664	3.4
540.19904	64.2
541.19977	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	540.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
61.30315	1.5
61.98674	1.7
71.01210	1.6
106.06505	6.7
112.03922	3.9
114.98754	1.8
116.04918	9.3
122.05956	4.7
123.03140	4.6
124.03923	3.6
132.04420	7.0
134.06003	55.0
138.05484	19.0
152.07065	100.0
158.02362	4.5
160.03934	39.5
164.07071	6.9
165.07878	2.1
166.04974	2.8
166.08650	2.8
176.03416	3.5
182.04518	2.5
184.06102	4.3
190.05028	18.5
192.06593	90.6
193.06886	1.9
199.43266	1.9
204.61787	2.2
218.42775	2.0
255.11427	2.9
257.12961	3.3
272.09149	2.3
281.09396	3.2
325.11990	32.2
337.12100	6.8
339.13593	11.6
355.12946	7.3
357.14612	59.0
358.15009	3.0
371.12479	2.3
418.13797	2.2
426.35388	1.9
446.17249	8.7
464.18213	11.6
478.16028	2.2
490.16220	20.5
496.20984	3.4
504.18384	2.5
508.17307	15.7
522.18561	11.0
540.19562	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	540.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81930	0.4
53.62923	0.7
55.68575	0.5
59.01250	1.1
65.45473	0.4
66.45527	0.5
80.04909	0.8
81.80972	0.5
92.04900	0.8
104.04922	1.9
105.03319	0.6
106.06484	7.2
107.03651	0.6
110.02334	1.2
112.03880	2.8
116.04931	8.7
118.02869	0.7
120.08073	0.5
122.05989	6.9
123.03107	4.4
124.03913	3.5
124.07533	1.4
125.41185	0.4
131.03629	0.6
132.04422	10.4
133.43266	0.6
134.05994	50.3
136.07536	1.3
138.05489	15.9
139.47615	0.5
140.07048	0.9
148.03870	0.6
148.07573	1.2
150.05470	2.1
152.07060	100.0
152.83614	0.5
153.07343	0.9
158.02379	3.3
160.03934	42.5
162.05447	0.9
164.07079	6.5
165.07892	1.0
166.04999	1.2
166.08601	1.2
172.03912	0.5
176.03450	3.5
182.04504	1.2
183.05264	0.7
184.06065	2.8
190.05028	15.5
192.06587	79.2
193.06889	0.9
197.06863	1.3
203.16464	0.6
204.06612	1.2
211.12460	0.6
212.10765	2.0
223.08865	0.6
225.10367	0.7
227.11816	0.8
228.10181	0.8
232.28737	0.5
236.05692	0.9
237.10265	1.2
239.11876	1.4
251.11809	0.8
253.09836	0.8
255.11356	4.0
256.09763	1.3
257.12967	2.6
260.29108	0.6
265.09842	1.0
266.06921	1.1
267.11386	2.0
269.12842	0.5
272.09427	0.7
279.11340	0.8
281.09332	3.3
284.08243	0.7
293.09299	2.2
295.10825	1.5
297.12494	3.4
299.10300	1.8
307.10825	2.2
313.11716	0.8
323.10214	0.7
325.11942	54.5
326.12198	1.4
327.13312	1.1
329.15112	1.2
337.11923	5.9
339.13464	5.3
343.12881	0.5
355.13083	7.8
357.14590	54.5
358.14835	1.2
402.18320	0.6
418.14114	0.6
419.16238	1.1
420.19272	1.4
428.15839	0.9
434.17297	1.2
436.15009	0.8
446.17224	8.1
447.16132	1.4
452.22321	0.6
464.18274	10.3
472.15076	1.6
478.15909	2.3
490.09357	1.1
490.16199	14.1
490.26654	0.7
496.20612	1.4
504.17657	1.4
508.17221	7.1
510.18835	0.9
516.98572	0.6
522.18903	8.1
540.19666	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	540.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27624	0.5
59.01244	19.6
61.98673	1.2
75.48019	0.6
75.79269	0.6
78.95759	14.6
80.62453	0.6
81.60710	1.4
91.72621	1.2
96.96802	0.9
152.69446	0.7
152.99438	2.2
155.65057	0.7
164.19812	0.7
168.04193	2.3
224.06859	7.9
241.21703	100.0
242.08179	1.2
242.17601	0.7
242.22090	1.5
247.27063	0.7
283.90622	0.7
308.39160	0.7
310.58307	0.7
336.56461	0.7
411.17532	0.9
466.29391	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	541.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17991	5.9
51.26036	4.9
59.01239	8.4
61.98695	12.5
75.04079	6.7
75.21918	6.4
91.05386	9.6
112.01576	6.5
118.89851	22.3
120.04383	8.4
129.92992	7.0
134.63768	7.6
203.37186	7.1
219.92955	9.0
224.10893	19.4
268.09787	100.0
479.74643	9.5
512.82037	8.6
542.06018	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	100.0
57.04439	2.0
59.00175	1.2
59.01242	62.6
59.02430	1.2
59.30666	1.0
61.98690	4.5
71.00864	2.1
71.01239	27.2
73.02808	13.1
81.03314	3.3
83.01238	21.8
83.01701	1.9
85.02807	12.3
87.00738	2.7
89.02296	24.1
95.01235	2.9
96.95866	1.5
97.02805	2.8
99.00742	1.8
99.04375	91.2
99.07002	1.8
100.04691	1.1
101.02301	57.3
105.78255	1.1
113.02311	18.2
119.03377	9.0
119.04877	1.8
121.06469	15.0
123.04429	1.9
125.02313	52.9
125.05926	1.0
131.03319	1.6
133.06454	13.2
135.04448	1.2
135.07983	1.3
137.05960	9.7
143.03363	4.2
146.03648	2.3
147.86874	1.3
151.07504	6.5
159.04414	1.5
161.04466	3.5
161.05994	9.3
163.07530	3.6
173.06042	1.1
173.09627	1.4
175.07526	3.1
184.43855	1.1
189.05473	1.9
193.08577	2.0
199.07555	3.6
203.07112	2.3
205.08646	5.1
217.08641	19.4
235.09761	17.3
244.98914	1.1
250.64418	1.4
277.10870	1.4
379.14008	85.6
380.14453	2.9
397.15079	95.5
398.15375	1.6
421.55127	1.1
439.16138	54.6
440.16330	2.2
479.19205	11.8
541.18982	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	541.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28538	0.4
53.17494	0.4
61.97232	1.0
61.98693	100.0
62.00002	1.5
68.31372	0.5
71.01247	0.5
75.04389	0.5
96.95856	3.8
142.38486	0.5
153.77188	0.6
162.05508	2.4
167.79361	0.5
172.63390	0.6
209.86769	0.6
262.12057	0.5
265.91388	0.6
286.82928	0.6
379.86749	0.6
478.24908	2.2
531.35132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38424	1.2
72.82035	1.4
82.02849	1.9
83.92187	1.2
84.04425	2.5
86.02335	12.5
88.03919	1.8
94.24184	1.4
94.66380	1.2
102.77902	1.7
120.01121	14.8
121.02856	1.5
122.53324	1.5
127.05022	2.5
127.08641	14.2
128.03406	100.0
132.00841	1.5
132.77377	1.4
153.06575	7.1
171.07668	37.3
197.23662	1.5
215.06732	4.2
231.04335	9.9
249.05495	49.7
250.05713	1.6
291.19650	5.0
296.12521	1.7
347.31555	1.7
412.21576	2.8
541.25916	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	541.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80767	0.4
59.01238	1.0
60.99170	11.4
61.59345	0.5
61.98680	0.4
64.96342	0.4
83.04896	0.7
87.00735	3.3
88.00270	3.1
88.01059	0.8
88.03895	2.2
88.98660	100.0
89.00970	0.9
89.02297	14.2
91.42048	0.4
96.95882	1.7
104.04887	0.4
118.89442	0.5
120.04425	1.5
121.04768	0.7
138.05510	1.0
150.05513	1.4
206.42856	0.5
240.43077	0.5
248.52516	0.5
283.10910	1.6
284.11237	1.8
447.17679	1.3
449.31589	1.1
465.18338	1.0
479.16653	1.0
491.16470	2.6
509.17520	2.3
541.21930	0.7
541.82135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	4.9
59.01241	3.5
61.98676	4.4
62.70654	2.2
72.89130	2.3
74.02340	12.1
81.04415	2.1
86.02323	6.2
86.05997	2.3
87.05531	2.6
96.95895	11.0
99.05499	13.9
109.03948	2.6
121.02847	4.1
128.03407	42.4
135.05472	4.4
143.04507	54.7
146.04523	4.8
148.01207	2.6
153.06599	5.2
157.35870	3.3
159.56705	2.5
160.00624	18.0
166.09828	2.8
167.04495	5.1
169.54147	2.6
174.53833	2.7
177.03313	6.1
179.04504	13.7
206.79327	2.6
210.08791	8.8
242.16484	2.6
254.07724	15.3
271.31241	2.8
272.08917	28.3
288.00839	2.8
288.06625	11.0
293.68542	2.8
306.07672	100.0
307.08267	4.2
310.56998	2.8
310.71765	2.9
399.27472	2.7
448.06567	2.8
542.21924	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	542.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11308	0.2
51.71080	0.2
59.01232	0.3
59.17149	0.5
59.38850	0.2
61.30629	0.3
61.98676	0.3
78.94003	0.7
78.95761	43.7
78.97727	0.5
90.97192	0.2
96.96232	0.5
96.96819	5.5
150.97955	1.5
152.94734	1.0
152.99475	100.0
153.04874	0.8
171.00552	3.9
180.38237	0.3
301.21597	0.4
455.22086	16.1
456.22406	0.5
542.25153	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	543.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06420	0.1
59.87457	0.1
79.95592	2.0
85.02808	0.2
89.69408	0.1
91.72719	0.2
96.93400	1.5
96.95867	100.0
97.95804	0.2
102.12605	0.1
106.58350	0.1
110.03067	0.1
113.02294	0.5
114.93310	0.3
122.42747	0.1
175.02443	0.1
203.87366	0.1
269.04590	1.8
445.07733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42074	0.6
75.00726	0.7
77.67947	0.6
81.67496	0.7
91.72816	1.4
93.03304	2.7
114.80484	0.7
116.24195	0.7
119.04881	2.6
120.04216	0.6
121.02821	15.2
161.02284	0.8
197.06033	1.2
226.06306	1.4
299.07025	1.1
301.08698	1.5
311.07092	0.8
312.08127	1.3
313.08698	1.6
314.09570	1.4
316.07385	1.3
329.08337	1.0
330.08810	1.5
332.10507	1.7
346.08511	0.9
401.11212	0.8
419.12949	1.1
439.15366	1.5
461.13699	14.9
507.11801	2.1
512.53656	0.9
525.17090	10.3
543.18152	100.0
544.18463	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	543.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74905	0.5
54.05901	0.6
55.94164	0.5
58.46726	0.7
58.99905	1.0
59.00164	1.6
59.01243	100.0
59.02456	1.8
59.64636	0.6
63.57958	0.8
91.73044	3.6
91.73512	0.9
98.47549	0.8
223.30350	0.7
271.26013	0.7
485.28644	0.9
543.33533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12218	0.4
57.69724	0.9
57.69959	0.4
58.02850	0.5
60.34439	0.4
63.56213	0.5
63.79548	0.4
63.80273	0.4
66.68073	0.4
70.02831	2.3
71.01220	0.6
71.04881	3.1
87.05491	1.6
88.03905	0.5
94.02852	1.1
96.95879	1.2
99.04396	0.7
113.03453	2.1
116.07050	0.6
117.03330	15.2
119.04903	3.7
120.01105	1.4
121.61588	0.5
130.03197	2.3
137.00508	0.8
138.05492	0.6
145.02840	100.0
146.03180	1.5
146.08113	20.2
147.05859	1.0
162.05513	1.1
163.03879	1.6
173.03838	1.9
186.49944	0.5
188.07092	0.9
217.11858	5.1
222.05937	3.1
240.09103	1.5
253.09714	0.6
266.04965	1.2
267.11496	1.3
268.12286	0.9
277.12296	18.0
277.22964	0.5
364.16852	1.1
408.15451	0.5
423.16019	33.0
424.18665	0.8
450.16733	1.4
489.64877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88372	0.3
51.79383	0.3
57.28312	0.4
57.69720	1.0
70.02826	2.1
71.01226	0.9
71.04875	2.7
75.77446	0.4
78.94154	0.4
79.45683	0.4
85.32842	0.4
87.05493	1.4
91.72719	0.8
96.95861	1.4
99.04386	0.9
113.03438	2.6
116.07014	0.7
117.03326	15.8
119.04896	3.7
120.01124	1.5
124.03880	1.0
129.05415	0.6
130.03206	3.0
137.00513	0.5
145.02838	100.0
145.07629	1.1
146.03156	1.0
146.08113	19.6
147.05843	1.0
162.05450	0.6
163.03899	1.8
173.03789	2.1
193.06799	0.5
217.11914	4.6
222.05865	3.6
259.82620	0.5
266.04932	0.5
269.01691	0.5
277.09192	0.6
277.12289	17.6
423.16000	30.7
424.16275	0.8
490.21506	0.5
526.18231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06477	1.8
67.27332	2.2
71.01249	3.9
72.95674	2.5
75.48546	2.2
94.02849	7.2
96.95883	8.5
110.97034	2.8
113.07053	2.6
122.02357	6.7
122.05949	3.1
124.03913	100.0
136.03949	10.1
138.05505	4.8
145.02827	13.0
146.08086	3.0
149.97922	2.6
154.04990	9.6
170.04259	2.4
174.05592	2.7
204.06619	4.0
222.33553	2.6
226.12384	2.4
238.11325	3.8
241.09656	3.1
248.09183	2.6
252.09126	5.6
253.09767	8.1
267.07758	4.6
267.11414	7.6
268.12082	5.0
269.09561	3.1
269.12860	2.5
280.08490	5.4
281.09314	3.9
294.10184	6.1
295.10938	15.3
297.12479	13.0
327.13904	3.2
341.11554	7.3
343.12903	2.7
390.14584	3.1
408.15363	3.9
420.15909	7.9
423.15741	4.5
432.15695	6.7
438.16714	5.5
450.16721	26.8
464.14536	2.8
468.17813	5.9
476.14584	7.4
482.15579	7.2
494.15646	24.2
500.21957	3.3
508.17172	3.2
512.16748	19.9
526.18579	11.5
544.20007	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	545.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41993	0.6
57.03314	5.5
59.01233	3.2
71.01239	2.2
72.99154	2.0
73.02787	1.6
74.75303	0.7
79.95592	2.4
81.95180	0.8
83.01248	0.8
84.93710	2.3
85.31486	0.6
87.00734	0.7
89.02305	1.1
89.46425	0.7
91.72682	0.8
96.19658	0.8
96.95869	100.0
96.98474	1.6
97.02837	0.9
97.95805	3.1
98.93018	0.8
98.95451	48.4
98.96278	8.2
99.00745	1.2
99.04366	4.9
99.92442	33.2
100.92556	1.0
100.93214	14.6
101.02303	3.2
113.02292	1.7
115.91939	53.9
116.92724	93.3
117.03321	0.9
117.92733	2.3
119.03381	0.8
121.72107	0.7
123.04429	1.1
124.93246	1.8
125.02335	1.5
127.00234	1.6
128.03523	0.8
138.94798	0.8
142.94331	7.5
149.04332	0.8
158.93819	2.4
161.04471	1.3
162.57123	0.7
164.39613	0.7
166.94348	1.4
169.93057	1.8
170.93808	4.7
179.05493	0.7
184.95406	4.6
186.93352	2.8
194.93866	1.6
198.93456	1.6
212.94987	3.2
230.96001	2.8
245.18274	0.8
256.93933	8.5
268.03891	0.8
269.04538	10.3
270.04971	1.9
274.95044	9.1
281.04694	0.7
318.36215	0.7
335.16309	0.7
352.97623	2.2
368.97095	5.1
526.99829	1.1
545.00323	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	545.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84865	0.6
58.00463	0.7
59.01242	38.1
59.02328	0.7
63.99102	0.7
64.13715	0.6
70.99944	0.7
71.01238	26.6
72.00758	3.8
72.99142	1.4
73.02792	0.7
74.02329	7.1
81.78072	0.6
83.01238	1.0
85.02802	5.0
87.00712	1.1
88.63081	0.6
89.02296	48.4
95.01231	1.1
96.95871	7.9
96.96799	1.1
98.95447	7.6
98.96185	1.4
101.02293	16.7
113.02306	13.4
116.04924	20.9
119.03368	17.4
119.04169	1.6
130.06465	1.1
131.03375	3.0
138.63789	0.8
142.06490	6.5
143.03365	3.8
149.04315	1.1
159.09181	4.2
161.04466	5.5
179.03934	1.3
179.05527	23.9
197.37950	0.8
203.08197	35.6
230.20735	0.8
340.99786	1.9
341.10895	100.0
342.11279	1.2
372.07166	1.0
469.78473	0.9
568.60962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02080	1.1
57.03317	92.6
57.04403	1.5
58.99953	0.9
59.01242	88.4
59.02380	1.6
61.83068	0.4
64.96781	0.5
65.39477	0.6
66.15758	0.4
68.54278	0.6
70.66129	0.5
71.01238	16.4
72.99192	0.4
73.02805	8.7
75.53589	0.4
81.03315	2.0
83.01228	4.6
85.02804	9.3
87.00743	1.0
89.02299	1.8
94.77118	0.7
94.91605	0.5
95.01246	1.2
96.95879	0.5
97.02864	0.6
99.00751	2.7
99.04375	100.0
100.04704	0.7
101.02303	41.7
101.04891	0.6
103.60992	0.8
113.02311	8.5
125.02315	28.2
142.06766	0.6
143.03383	5.2
159.02896	1.8
161.04462	7.3
380.84204	0.7
385.44284	0.6
401.18201	23.3
402.18640	0.9
443.19217	6.5
483.22180	1.6
545.22424	20.7
546.22815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	48.3
59.01241	100.0
59.96147	2.4
66.17545	2.3
71.01234	33.0
73.02802	22.1
73.31467	2.5
78.95782	5.3
83.01260	7.9
85.02826	11.9
89.02295	42.1
95.01244	3.7
96.95855	16.4
99.04376	51.7
101.02301	54.0
113.02306	24.9
119.03362	18.0
123.04432	7.4
125.02306	27.2
137.05989	3.9
139.07516	28.8
143.03391	4.8
149.04407	2.9
161.04474	14.2
179.05598	6.4
181.08524	3.5
239.12985	5.5
266.86093	3.1
269.78445	3.0
289.52020	3.2
313.12976	24.3
331.13989	73.3
365.16122	5.7
373.15033	25.7
383.17099	11.0
401.18069	20.7
413.18246	8.2
443.19489	4.6
545.22522	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12008	0.3
57.34148	0.3
62.85170	0.3
63.44066	0.3
64.49813	0.4
64.82007	0.4
69.12324	0.3
78.95762	5.0
85.20147	0.3
91.73121	0.4
93.73095	0.3
95.28362	0.3
127.60168	0.4
135.79382	0.4
140.01071	2.1
152.99524	0.6
196.03706	1.2
205.31485	0.3
214.04825	2.4
231.69591	0.4
289.69235	0.4
349.27502	100.0
350.27878	2.6
381.84457	0.4
455.03809	0.4
546.32141	9.9
547.31537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93185	2.5
57.03320	62.5
59.01241	50.5
68.92329	2.6
71.00896	3.9
71.01240	20.6
73.02805	28.7
77.25650	2.7
83.01215	4.5
83.04871	2.8
85.02782	6.6
89.02307	17.3
96.95874	9.6
99.04375	53.4
101.02315	42.6
102.97613	2.7
113.02318	11.6
117.24193	3.2
119.03358	8.8
122.31686	3.4
123.04416	12.7
125.02319	23.6
128.03387	3.7
131.03423	3.3
132.72638	3.4
143.03397	8.9
149.04408	4.3
160.99316	3.4
161.04468	10.9
165.09174	3.6
179.05563	6.1
189.09195	5.1
205.12288	100.0
385.18674	24.3
403.19669	4.6
427.19843	10.8
496.21933	3.2
547.24023	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	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89699	1.3
54.74773	1.7
55.18680	1.4
57.03305	1.8
59.01241	18.0
59.41968	1.6
61.98694	1.7
66.10255	1.7
66.10605	1.3
71.01236	18.9
71.76877	1.6
73.02808	4.1
83.01237	4.1
85.02814	5.4
87.00714	2.6
89.02279	5.1
99.00705	2.1
101.02308	4.3
113.02309	4.1
125.02295	2.1
134.28557	1.5
134.31207	1.8
138.83688	1.8
261.22202	4.1
263.97879	2.1
279.23264	13.3
297.24335	49.8
305.21289	2.2
323.22177	8.6
336.35767	1.9
341.23236	14.7
350.36575	2.0
441.28659	2.5
450.07324	2.4
459.29736	5.7
485.27512	15.7
503.28558	12.1
529.26563	49.1
547.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	16.4
59.02399	0.3
59.95325	0.2
61.98688	0.3
62.56644	0.2
71.01242	1.8
73.02788	0.6
77.22111	0.2
79.73781	0.2
83.01253	0.3
85.02804	0.9
87.00716	0.4
89.02294	2.5
91.73329	0.4
101.02309	3.0
104.77246	0.2
113.02306	1.3
119.03384	0.9
143.03419	0.2
161.04416	1.1
179.05521	0.5
195.78900	0.2
221.90468	0.2
233.05608	0.2
233.19113	0.9
235.08209	1.5
251.20152	100.0
251.30344	1.0
252.20503	2.3
253.09276	12.8
254.09715	0.2
286.23056	0.3
378.66971	0.2
412.45694	0.2
434.87915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58140	0.4
59.01240	1.5
61.97550	1.2
61.98693	100.0
62.00016	1.8
64.96339	0.3
68.75069	0.3
71.01247	0.4
91.30268	0.4
95.41264	0.5
101.16087	0.3
118.16570	0.4
134.57993	0.4
171.98781	0.4
174.62317	0.4
241.27377	0.5
249.18654	1.3
250.18887	2.5
251.19334	1.3
252.19708	0.6
254.99908	0.5
549.02905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55289	0.1
59.01233	1.0
59.47892	0.1
61.97274	1.3
61.98693	100.0
61.99957	1.9
66.27154	0.1
71.01251	0.2
80.18403	0.1
84.41349	0.1
88.75588	0.1
96.55142	0.2
103.20309	0.2
111.87646	0.1
130.06337	0.2
249.18579	2.0
249.20906	0.2
250.18942	3.0
250.21283	0.3
251.19208	1.6
252.19685	0.5
253.09325	0.4
254.09804	0.2
255.09735	0.2
263.24243	0.2
439.05188	0.2
444.83496	0.2
511.03806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30490	0.4
56.04736	0.4
60.55709	0.4
61.98676	0.4
67.92733	0.5
77.03819	1.5
92.54141	0.5
120.99041	0.7
121.02820	100.0
121.06169	1.2
122.03139	0.6
135.85368	0.6
165.01831	49.6
165.07196	0.7
166.02179	0.5
181.06491	3.2
197.05989	2.9
207.04433	0.9
225.05553	1.4
254.12051	0.4
257.09833	0.9
276.26450	0.4
313.07205	1.8
334.07535	0.5
357.06161	1.2
411.42725	0.5
417.09659	2.2
429.99857	0.7
472.94028	0.5
505.11432	1.8
549.10425	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	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81277	0.9
51.46315	0.6
52.68621	0.7
59.01241	23.8
59.58932	0.8
68.85696	0.9
70.47611	0.8
71.00874	1.0
71.01240	15.4
72.99158	1.4
73.02818	1.7
81.92179	0.7
83.01258	0.8
83.75005	0.7
85.02820	3.6
87.00738	1.0
89.02298	26.7
95.01276	1.2
96.95872	1.7
97.99946	16.6
99.00735	28.8
99.01355	1.7
101.02296	13.3
105.79775	0.8
108.02037	9.4
109.02815	13.3
111.00761	1.1
113.02316	9.5
114.31062	0.8
119.03381	14.0
119.04932	1.5
120.04428	1.5
121.02774	4.6
122.03597	2.0
123.04377	8.5
129.03329	3.5
131.03339	1.6
131.04956	0.9
134.03624	2.0
135.04416	1.5
136.01544	3.9
138.03111	1.8
141.35266	0.8
143.03436	1.5
145.02849	0.9
146.03607	7.7
147.04401	100.0
148.05186	15.2
149.02312	2.2
149.04488	1.6
149.05956	2.7
151.03894	16.4
158.03600	6.6
159.04414	21.1
160.05202	2.4
161.02415	1.1
161.04625	1.5
161.05972	5.4
162.06783	4.0
164.04686	25.0
173.05994	5.9
174.03127	1.0
175.03912	1.4
175.07532	2.9
176.04698	5.2
179.05501	4.8
191.07053	4.0
193.05002	2.4
202.06310	1.1
203.07021	1.3
207.06573	3.3
217.08713	1.0
225.05553	3.1
227.07068	11.6
235.06090	58.8
239.07094	2.9
240.07896	1.9
243.06631	1.5
251.07097	3.4
252.07896	8.3
253.08626	1.4
266.09537	1.8
267.06598	9.4
268.07422	48.7
269.08066	1.2
282.08820	4.3
283.09769	72.9
284.10391	3.3
297.11261	8.8
298.12109	51.9
299.12869	47.2
341.10229	1.5
341.14023	2.6
343.11816	1.3
353.13876	8.9
441.13419	1.4
461.18036	4.6
487.16022	4.7
549.16119	20.8
549.23895	1.6
566.45032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	24.0
59.01240	4.9
71.01226	2.7
73.02810	1.7
78.95821	0.5
83.01258	0.7
85.02822	1.1
89.02305	1.6
91.72814	0.7
91.73280	0.5
96.51015	0.5
96.95885	0.6
99.04377	10.7
101.02303	10.3
106.04124	1.9
107.04906	0.8
107.09789	0.5
108.01997	0.6
113.02327	1.3
119.03331	0.6
121.02823	33.0
122.03644	4.8
123.04384	1.3
125.02305	4.5
135.76244	0.5
136.05173	0.9
137.02325	1.1
143.03328	0.8
154.02716	0.8
161.04422	4.4
193.98593	0.6
214.50060	0.7
228.05623	1.2
228.07892	21.3
243.10255	100.0
244.10611	2.7
387.14456	0.9
405.15527	8.5
447.16483	2.5
513.23254	3.3
549.19617	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02031	0.3
57.03316	28.3
57.04478	0.5
59.01238	2.0
64.88799	0.1
68.99668	0.2
71.01234	1.5
73.02778	0.7
81.03295	0.7
83.01228	0.5
85.02808	1.3
89.02316	0.2
93.03324	0.7
95.01265	0.1
97.02776	0.2
99.00735	0.3
99.04375	21.9
100.04709	0.3
101.02300	8.0
106.04111	0.9
108.02029	1.0
109.02826	0.4
113.02306	0.9
121.02819	21.6
121.78976	0.1
122.03609	13.3
125.02312	14.4
135.04387	0.2
136.01541	0.3
143.03394	0.6
144.16626	0.2
145.04935	0.2
150.03180	0.2
154.40901	0.1
159.02919	0.2
161.04442	2.4
205.08577	0.3
213.09274	0.2
226.06389	0.2
228.07869	3.2
229.08597	0.8
241.08549	0.7
242.06984	0.4
242.09467	7.3
243.10245	100.0
243.20425	0.9
244.08246	0.3
244.10590	2.7
255.10388	0.2
257.08185	1.4
267.56085	0.2
269.11920	1.3
275.09137	0.6
285.11298	0.6
387.14523	5.7
388.14877	0.2
405.15576	2.1
406.16672	0.2
447.16644	0.5
549.19757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	40.2
61.06297	15.2
65.44364	15.1
86.23490	15.7
87.04366	31.5
101.02338	20.1
113.54494	16.2
126.90359	50.1
165.69472	17.4
184.43407	17.3
253.09439	17.5
264.19424	18.5
277.21725	100.0
301.21805	57.0
301.91589	18.2
305.24954	50.7
349.23889	66.6
423.16312	24.9
480.36285	21.8
549.04657	24.3
549.28259	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37781	3.3
54.56662	4.0
57.46486	3.8
58.95507	4.1
77.17361	4.4
92.92661	21.9
94.22340	4.5
102.65263	4.7
126.90376	100.0
440.28604	6.5
443.59238	5.4
549.05780	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22264	0.1
61.67600	0.1
75.41266	0.1
78.95756	1.1
79.44535	0.1
79.95592	1.6
81.05727	0.1
88.53598	0.1
89.17699	0.1
96.93018	0.7
96.95870	100.0
96.98322	1.6
97.95821	0.1
120.44133	0.1
187.60300	0.1
273.38672	0.1
288.66589	0.1
289.14706	0.1
299.54300	0.1
389.31970	0.1
444.47278	0.1
556.44562	0.1
571.26215	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	549.3201
Annotation	Revandchinone 1
Peak:m/z	Relative Intensity
50.81105	0.8
52.65149	0.7
53.96204	0.7
59.01243	16.9
61.98675	1.4
71.68112	0.9
105.31140	0.8
122.00938	0.9
147.08015	1.1
148.08859	2.6
149.09563	1.5
151.11169	1.6
161.09660	1.0
163.11172	5.0
165.12750	23.8
173.70532	0.8
189.12753	2.7
191.14359	11.3
219.17535	10.2
227.14471	1.3
245.15477	3.9
263.16531	100.0
264.16776	2.1
265.59512	1.0
285.14755	3.5
486.18198	1.1
549.32013	50.2
550.32086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	25.7
57.04435	0.6
57.62392	0.4
59.01243	23.9
59.02429	0.5
61.97263	0.7
61.98694	100.0
61.99963	2.0
66.32164	0.4
68.86784	0.5
69.62781	0.4
71.01241	8.9
72.99145	0.5
73.02805	11.3
73.03199	0.7
74.56641	0.5
79.05415	0.8
81.03334	0.9
83.01243	3.6
84.14107	0.4
85.02821	1.8
89.02294	5.4
95.01277	0.5
96.95856	1.0
97.06422	0.8
99.04377	35.3
99.06982	0.6
101.02307	22.3
113.02310	5.5
113.05982	1.0
119.03358	3.6
123.04377	6.6
125.02318	15.5
131.03409	1.4
141.05481	1.7
143.03380	3.6
149.04440	3.3
149.78009	0.7
153.05493	1.0
161.04454	7.5
168.06816	0.4
179.05571	1.5
183.06496	0.6
183.45181	0.5
203.05553	0.7
221.06595	3.8
261.09924	0.9
285.04117	1.1
385.18933	1.0
425.22598	0.5
443.23508	0.6
461.07373	0.8
487.21866	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	550.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91408	0.7
59.01255	1.8
59.27489	0.7
61.97367	1.8
61.98692	100.0
71.55029	0.8
72.62878	0.8
77.62785	0.9
142.20973	1.0
251.20284	2.1
252.20636	4.0
253.20824	1.9
254.21051	1.1
266.00000	1.1
306.18146	1.1
557.07440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23149	0.6
57.03071	0.6
57.03319	7.5
57.86151	0.4
61.98702	0.7
70.58159	0.5
73.77436	0.6
73.87225	0.4
85.38580	0.5
85.77836	0.5
88.12572	0.5
90.73618	0.5
93.03313	0.9
95.04929	0.5
96.95874	1.2
99.04349	0.7
101.02316	2.6
108.02030	9.6
109.02827	0.9
121.02013	1.0
121.02824	13.2
122.03621	9.5
123.04389	100.0
123.08089	1.2
124.04762	1.1
137.02304	0.7
154.02577	0.8
165.22084	0.5
173.04314	0.5
214.21640	0.6
215.20601	0.5
244.07225	1.1
245.08176	65.6
246.08611	1.3
335.20847	0.6
389.12469	4.2
407.13510	36.0
408.13892	1.6
449.14508	12.7
467.21713	0.6
489.17770	2.3
540.01495	0.7
551.17719	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	551.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96147	0.5
60.28191	1.0
60.28454	0.8
61.94426	0.6
66.46365	1.4
66.46474	0.5
70.77861	0.6
79.05379	1.9
81.03302	1.4
82.68309	0.6
83.04883	3.6
89.53692	0.8
93.03329	4.8
106.04109	14.7
106.55721	0.6
107.04893	26.7
108.02027	1.1
119.04905	0.9
121.02823	2.2
125.05975	6.2
149.18275	0.8
151.03911	20.5
169.04993	6.4
171.08026	0.7
187.07599	1.7
213.09164	38.8
252.53012	0.8
257.08194	60.9
258.08502	1.5
261.11703	0.7
275.09277	100.0
276.09583	3.0
298.94235	0.7
334.66815	0.7
545.83606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00714	61.6
51.80656	62.1
56.50287	61.0
57.82344	68.8
60.27522	62.1
74.64549	72.2
79.32471	68.2
90.85246	87.2
150.73134	98.2
200.22931	89.4
298.57629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	14.4
71.01249	1.4
73.02823	1.3
85.96966	1.3
89.02293	2.5
93.93362	0.9
101.02323	2.8
108.35382	1.2
113.02273	1.1
115.03862	1.5
159.81526	1.0
161.04404	1.2
197.09760	1.2
234.03339	1.2
235.08252	1.8
243.90962	1.1
253.09251	12.2
253.11382	1.2
255.23293	100.0
256.23669	2.6
317.01529	1.2
577.56744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36223	0.4
50.49212	0.3
53.86566	0.3
54.03455	0.4
59.01241	12.9
61.98655	0.6
71.01231	2.3
73.02798	0.8
78.06548	0.5
78.95744	0.6
85.02783	0.5
89.02282	2.4
101.02303	2.4
102.10631	0.5
113.02296	0.8
119.03370	0.8
133.04889	0.6
161.04428	0.6
216.48999	0.5
217.63686	0.4
218.94843	0.5
235.08229	1.9
253.09280	11.3
253.11736	0.9
255.23286	100.0
256.23639	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	552.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63727	0.7
57.03316	36.5
57.04324	0.8
59.01242	42.0
61.97378	2.0
61.98693	100.0
69.03330	1.0
71.01238	14.2
73.02803	16.1
80.04907	8.4
81.03307	1.3
82.64470	0.9
83.01239	4.9
84.17389	1.0
85.02811	1.9
87.00718	1.9
89.02299	10.9
94.06474	1.9
95.55858	1.2
96.95876	2.9
98.95438	2.4
99.04376	45.9
101.02303	32.9
104.04923	4.0
106.06477	4.0
108.04416	8.2
108.08106	1.1
113.02297	7.4
119.03367	4.5
120.04419	41.8
121.05185	1.3
122.05978	8.4
123.04407	5.1
125.02312	30.2
125.03244	1.5
125.06715	0.9
130.42848	1.0
131.03430	1.5
132.04437	3.0
134.05989	9.4
136.07556	4.1
137.09613	3.1
138.05487	10.9
141.05396	1.2
143.03419	4.7
146.06013	2.5
148.03911	4.5
149.04448	2.4
150.05499	21.5
152.07048	7.3
160.03958	3.2
160.07603	1.6
161.04459	8.1
165.09163	2.0
168.06543	11.8
174.05571	4.9
175.02380	1.6
177.90453	1.1
179.05472	2.4
180.06578	8.8
186.05573	1.6
188.07076	24.6
197.07265	1.3
211.08708	4.4
211.24692	1.1
213.10303	2.8
221.06808	1.6
223.08698	1.9
224.09497	2.0
225.10303	7.4
226.11082	1.5
227.11855	5.8
235.08768	2.8
237.06560	1.4
237.10434	2.7
238.07457	4.0
239.08286	1.6
239.11862	3.0
241.09813	1.1
243.11412	2.7
246.07823	1.1
248.09357	1.4
249.10316	2.4
250.07547	1.9
251.08226	5.5
251.11908	3.7
252.09093	3.4
253.09811	14.7
254.10542	1.1
261.12469	1.2
263.08200	3.2
264.09152	2.4
265.09946	5.2
266.10486	2.3
267.07883	0.8
267.11383	6.4
277.06940	1.3
277.09839	6.5
278.06949	2.7
278.10150	1.4
279.07727	7.6
279.11456	5.1
281.09253	2.9
288.82516	1.1
291.07797	2.3
292.08704	2.3
293.09311	12.0
294.10068	4.3
295.10895	52.3
296.08084	1.2
296.11401	1.4
305.09286	1.5
306.10306	1.4
307.10910	13.8
309.08960	2.2
311.10403	2.5
321.08716	3.9
328.82971	1.0
339.09866	4.2
350.73312	1.1
387.16541	4.1
400.16907	2.2
428.16068	4.2
434.17224	1.5
440.15933	1.2
445.21222	1.7
446.17264	11.5
458.17239	37.0
472.15167	1.6
474.17279	1.9
476.18307	35.9
477.18292	1.4
484.15619	1.2
489.19772	42.4
490.15970	16.5
502.16235	48.8
503.16782	1.9
520.17297	51.8
521.17224	1.6
522.18933	4.4
534.18848	8.8
552.19958	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89506	2.0
56.78689	2.8
57.03312	3.6
58.35263	2.2
59.01239	3.7
60.99182	4.1
66.80906	2.1
71.36919	2.2
80.04938	9.7
88.98663	31.3
96.95912	4.1
99.04452	4.0
104.04976	4.8
106.06519	8.5
108.04429	16.0
108.08007	3.6
118.36372	3.2
120.04424	66.0
122.05972	18.2
128.03494	5.0
130.06557	3.4
132.04489	3.5
134.05988	17.2
136.07642	7.8
138.05482	19.0
143.66432	3.0
146.06064	4.0
148.03975	6.4
150.05495	34.2
152.07129	11.0
160.03975	8.8
168.06529	18.4
174.05582	3.3
180.06639	11.5
188.07118	38.7
211.08830	7.0
216.45726	2.8
225.10294	16.7
227.11993	8.8
235.08998	6.8
237.10307	5.8
238.07603	10.9
239.08400	5.0
239.12016	3.0
243.11499	5.4
245.08401	4.0
249.10446	6.3
250.07462	3.4
251.08380	8.8
251.11945	6.6
252.09102	4.5
253.09837	32.2
263.08344	5.5
265.09915	6.8
267.11472	11.5
277.09851	7.1
278.07059	5.3
279.07938	16.4
279.11444	7.8
280.08444	3.6
281.09378	4.0
293.09293	19.8
294.10129	8.5
295.10892	72.2
305.09467	5.5
307.10910	23.3
311.10306	4.7
321.08951	5.5
339.09943	4.9
353.11249	3.3
428.16321	10.2
434.17398	3.4
446.17139	16.5
458.17291	68.0
459.17642	4.4
474.16275	3.1
476.18610	35.2
490.16293	24.7
502.16269	100.0
503.16672	5.1
520.17322	45.0
522.18707	19.8
534.18866	34.2
535.19336	5.1
552.19867	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	552.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.1
61.29584	2.8
74.39697	2.8
80.04916	12.5
104.04942	6.2
106.06520	4.2
108.04414	18.7
120.04419	73.8
122.06000	16.2
131.60687	3.3
132.04440	3.1
134.05988	19.3
136.07547	4.2
138.05472	21.8
146.06033	8.2
148.03914	8.8
150.05505	34.8
152.07051	12.9
160.03941	4.4
168.06543	21.5
174.05530	9.6
180.06578	11.8
180.91858	3.4
188.07089	54.8
210.07991	3.9
211.08690	11.0
223.08762	3.8
225.10339	14.7
227.11874	10.6
228.89824	3.6
235.08798	4.7
237.10300	7.2
238.07423	7.9
243.11310	6.3
248.09508	6.2
249.06642	6.4
249.10361	4.0
251.08241	7.5
251.11803	5.6
252.09103	6.0
253.09839	32.8
263.08405	4.5
265.09967	7.5
267.11334	11.0
268.38049	3.5
277.09833	14.3
279.07693	9.6
279.11310	4.6
293.09320	22.2
294.10187	10.4
295.10898	86.1
307.10815	28.7
311.10266	5.0
321.08896	7.9
339.09894	5.6
384.13406	5.6
400.16690	5.5
428.16183	6.8
446.17270	22.0
458.17252	77.6
476.18228	59.5
490.16223	30.3
502.16211	95.4
520.17267	100.0
522.18805	9.5
534.18872	11.5
552.20020	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.1
59.01258	10.4
61.98696	22.8
63.79495	2.1
63.99100	2.4
73.02834	2.8
80.04907	14.9
83.51263	2.8
86.07034	2.3
94.06522	3.2
99.04419	8.5
101.02321	4.3
104.04946	6.3
106.06533	10.5
108.04433	23.5
114.30396	2.7
120.04418	69.3
121.02853	3.7
122.05994	16.4
124.03933	3.9
125.02362	3.6
132.04492	5.4
134.05997	26.1
136.07582	5.4
138.05479	23.3
146.06111	8.4
148.03972	11.0
150.05495	40.2
152.07108	10.5
157.68933	3.0
160.04030	4.7
168.06572	24.5
174.05632	10.5
180.06656	12.1
186.05629	3.4
188.07089	54.0
211.08800	12.2
213.10265	3.7
223.08997	4.5
224.09581	4.1
225.10265	13.9
226.11157	3.6
227.11960	9.0
235.08775	5.2
236.09605	3.2
237.10350	5.9
238.07603	10.2
239.08264	4.2
239.11949	3.9
241.60573	2.8
243.11453	4.3
249.06863	3.3
249.10406	7.2
250.07565	4.6
251.08388	11.5
251.12059	4.9
252.09085	5.5
253.09862	28.8
254.10555	3.1
254.65288	2.8
261.10199	3.2
262.07529	3.5
263.08279	5.2
264.09094	6.2
265.09918	10.9
266.10718	4.3
267.11359	17.1
276.09113	3.1
277.06708	3.1
277.09912	11.7
278.07019	5.6
279.07993	11.1
279.11542	7.9
281.09445	5.2
291.07791	5.4
292.08484	5.3
293.09344	33.2
294.10202	10.4
295.10864	100.0
295.13956	5.4
305.09418	6.1
307.10898	30.7
311.10263	3.5
321.09024	11.1
332.88596	3.1
339.09985	7.8
342.12463	3.6
351.09976	4.1
371.12573	3.3
372.13385	4.1
382.12018	3.2
384.13467	4.8
400.16901	4.2
428.16315	12.7
432.15634	4.7
440.16415	7.8
446.17197	17.9
458.17453	56.4
472.15195	6.5
476.18460	46.7
484.15417	11.1
490.16226	30.7
502.16260	94.6
503.16574	10.7
509.81030	3.2
520.17316	85.3
521.17932	7.1
522.18817	8.2
534.18567	18.4
552.19958	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03910	0.3
57.02261	0.5
57.03317	22.0
57.04482	0.4
59.00148	0.3
59.01242	17.3
59.02495	0.3
61.50204	0.3
61.97532	1.2
61.98692	100.0
62.00033	1.7
63.45930	0.3
64.04644	0.3
71.01234	4.9
73.02807	5.0
80.48460	0.3
81.03308	0.4
83.01224	1.9
84.33618	0.3
85.02814	1.0
86.04996	0.3
89.02293	4.3
97.06446	0.4
99.04372	29.4
99.07027	0.5
100.04741	0.4
101.02300	14.5
113.02304	3.0
113.05959	0.8
119.03394	1.9
119.07489	0.3
123.04391	3.5
125.02312	9.8
125.03237	0.5
131.03362	0.8
141.05481	0.7
143.03383	3.2
149.04445	2.3
149.43767	0.6
153.05473	0.6
161.04439	4.5
163.92110	0.3
179.05562	1.2
186.58138	0.3
189.07603	0.4
221.06706	1.6
261.09891	0.7
345.18918	0.5
351.17111	0.3
387.20383	1.0
427.23474	0.7
489.23422	23.2
490.24017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06450	0.9
59.01238	1.5
59.70392	0.8
64.64771	0.8
73.21779	0.9
77.20322	0.8
78.95764	5.3
80.06169	0.9
96.95881	2.6
104.45433	0.9
113.90954	0.9
150.29819	1.0
152.99475	1.5
168.04250	1.9
177.88055	1.0
242.07982	3.4
277.21735	100.0
278.22162	2.0
302.47391	1.0
502.29416	34.4
503.30133	1.3
541.91431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59130	1.2
54.94786	1.7
59.01244	12.2
63.38090	1.5
67.60608	1.6
78.95756	24.1
78.96183	1.6
152.99501	5.4
157.29350	2.0
168.04260	4.0
171.19092	2.2
221.01353	1.8
224.06879	9.8
242.08086	4.2
253.21710	74.8
277.21722	100.0
478.29291	19.6
502.29407	74.6
502.36462	4.0
503.29825	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	552.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	15.4
60.03577	0.6
61.98688	1.2
63.25281	0.6
78.95766	6.8
109.23685	0.8
114.05611	0.9
128.77611	0.7
130.61226	0.8
137.62018	0.8
141.12177	0.7
152.99477	1.7
164.09964	1.0
168.04199	1.4
212.64227	0.8
224.06882	1.9
242.07994	2.9
249.71819	0.9
253.21722	100.0
254.21927	1.8
277.21774	12.0
478.29388	29.2
479.29498	1.2
502.29544	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49193	0.2
57.17873	0.2
58.38446	0.6
59.75551	0.2
65.03828	0.4
66.17553	0.2
68.09035	0.2
71.09309	0.3
78.48831	0.2
81.03316	0.2
83.04882	0.4
92.02524	0.2
93.03320	3.7
95.04913	0.3
98.04056	0.2
106.04103	14.5
106.41147	0.2
107.02055	0.3
107.04890	23.2
108.02031	3.1
109.02798	1.1
111.04404	0.2
119.04887	0.4
121.02824	3.3
122.03632	0.3
138.03107	0.5
171.08063	1.3
211.07503	0.8
212.29376	0.2
213.09158	37.4
214.09525	0.5
229.08659	0.5
251.04539	0.3
255.06587	0.3
256.97623	1.1
257.08188	100.0
257.20203	0.7
258.08472	1.9
269.04858	0.4
273.07748	2.0
313.00171	0.3
313.03806	0.3
362.16272	0.2
508.50702	0.2
553.12604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Eriosemaside A
Peak:m/z	Relative Intensity
52.67384	0.4
53.30213	0.3
53.95051	0.3
56.81502	1.0
56.81775	0.7
57.13614	0.3
57.46251	0.4
59.01242	2.8
59.46170	0.3
71.01240	1.4
73.02811	0.7
74.94543	0.3
83.01261	0.4
85.02820	1.2
87.00756	0.4
93.03316	2.2
96.95831	0.4
101.02330	0.5
108.02029	10.7
109.02829	1.1
109.07619	0.3
113.02261	0.4
121.02823	26.8
122.03612	27.4
123.00515	1.2
123.04388	100.0
123.07771	1.1
124.01563	0.8
124.04736	0.8
134.03670	0.7
135.04359	0.4
137.02409	1.6
137.87563	0.4
152.37654	0.3
154.02617	1.2
156.94548	0.3
159.45995	0.4
177.05499	0.8
177.48834	0.3
227.07301	0.4
243.06638	1.2
244.07368	9.2
245.08179	46.7
246.08495	1.2
389.12469	3.9
407.13477	7.3
440.70395	1.2
455.38373	0.4
553.19318	72.3
554.19830	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	554.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48687	1.2
54.09220	0.7
54.74471	0.7
56.30325	0.7
59.01239	0.9
59.05386	0.7
61.89286	0.8
78.18397	0.8
87.29008	1.1
99.04392	1.0
101.02292	0.9
104.04981	1.4
106.06504	11.5
107.03659	1.2
107.04870	1.2
122.05991	14.2
132.04431	3.5
134.01842	1.0
134.05997	73.8
136.07562	1.9
150.05498	1.0
152.02090	1.7
152.07065	100.0
160.03992	1.7
176.03429	1.4
190.05006	3.8
190.40941	1.1
192.06680	2.5
197.07109	1.7
208.00276	0.9
209.10670	1.6
210.07729	1.2
210.09387	1.4
213.10263	8.5
222.07971	3.1
223.06512	1.9
223.08650	1.8
225.06679	3.7
225.10352	2.2
237.06635	3.4
237.10294	23.8
238.07219	1.9
238.08961	2.3
239.08195	2.3
248.05830	1.1
251.04637	1.6
251.08202	5.1
252.05461	1.8
252.09142	1.8
253.09840	12.0
254.10637	1.9
256.19867	1.1
263.08292	2.1
264.05460	1.3
264.08997	1.4
265.06262	9.1
265.09738	1.7
266.06976	20.9
277.06131	1.6
278.06927	5.9
279.07776	4.6
280.08600	4.9
281.09348	83.4
282.09717	3.4
292.08710	1.0
293.09332	31.0
297.09219	1.3
313.11966	16.9
325.11938	2.7
341.11584	1.5
355.13211	1.4
356.13907	1.6
400.16660	2.6
402.18201	5.9
413.13303	1.1
416.16513	2.0
428.16174	14.9
446.17230	22.1
448.18716	2.1
460.19043	8.6
472.14911	2.3
478.19873	57.8
479.20117	2.2
490.16220	20.3
492.21265	2.8
504.17847	18.9
505.18665	1.4
510.22495	19.0
511.22745	1.2
522.18835	64.5
523.19135	3.7
529.10541	1.0
536.20221	4.5
554.21466	20.3
555.22174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05433	0.7
59.64759	0.6
64.15034	0.8
71.74882	0.8
80.73261	0.8
93.51926	1.1
94.06486	1.5
96.95895	1.8
106.06487	12.6
120.04482	0.8
122.05999	13.3
122.06823	1.1
124.07610	2.4
132.04449	0.9
134.01955	1.2
134.05994	75.0
135.06395	0.8
136.07614	1.5
139.58420	0.8
141.96848	0.8
150.05597	1.0
152.07063	81.1
153.07426	1.7
158.52585	0.7
168.64255	0.8
196.06448	1.0
197.07118	1.0
210.07793	1.7
210.09441	1.4
211.08801	1.1
211.85883	0.9
213.10458	2.4
222.07996	2.6
223.06570	1.5
223.08711	1.6
224.05951	1.1
225.06760	3.6
225.10425	3.0
234.08173	1.4
235.08823	1.4
236.09482	1.0
237.06693	4.8
237.10291	8.8
238.07559	5.0
238.09164	1.3
239.08345	2.4
248.06131	1.0
249.06818	1.2
250.07628	1.1
251.04570	1.0
251.08264	6.0
252.05522	1.8
252.09106	2.0
253.09816	11.9
256.95352	0.9
263.08414	3.6
264.09082	2.3
265.06201	9.5
265.09521	4.1
266.06967	23.9
267.07559	1.5
270.11511	0.9
277.06320	2.3
278.06918	6.6
279.07788	4.9
280.08578	8.1
281.09329	100.0
282.09702	3.2
284.08044	1.3
291.07709	0.9
292.08624	1.8
293.09351	43.7
294.10040	2.6
295.11044	1.2
313.11978	14.3
325.12311	2.3
339.10226	0.9
358.22870	1.0
370.12164	1.2
390.81064	0.9
398.11661	1.4
400.16879	5.1
416.16315	2.2
428.16187	20.1
446.17245	47.5
447.17767	2.6
448.18707	1.1
460.19073	3.0
472.14853	5.5
478.19858	33.2
478.26740	1.6
479.20270	2.1
490.16205	54.0
491.16803	3.4
492.18030	2.8
504.17789	13.8
522.18854	86.5
523.19257	5.1
554.21588	1.8
570.38025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74572	0.6
57.62287	0.9
61.98692	100.0
62.00023	1.7
91.26811	0.6
97.87770	0.7
99.09698	0.7
128.79271	0.7
141.13400	0.8
141.86740	0.7
152.61220	0.7
292.91458	0.8
435.79236	0.9
522.89612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00980	0.7
59.01244	10.6
59.65315	0.5
61.98680	0.6
67.55642	0.4
73.02788	0.5
78.95759	20.1
83.01224	2.2
91.79322	1.6
119.50865	0.5
152.99469	2.5
157.04886	1.0
163.73920	0.6
168.04207	3.1
175.06029	1.7
177.03139	0.7
207.37112	0.7
224.06898	6.8
242.04379	0.6
242.08018	2.0
277.21698	6.5
279.23291	100.0
280.23639	1.7
281.31683	0.7
323.94684	0.8
348.98318	0.6
412.52747	0.6
435.27240	0.8
453.28476	6.3
504.30991	65.3
505.31308	1.5
554.27338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17612	0.7
59.01016	0.8
59.01242	10.1
63.79099	0.7
78.95762	4.4
168.04323	1.7
177.66136	0.9
220.56856	1.0
230.87057	0.9
242.07910	2.2
277.21631	4.6
279.23300	100.0
280.23560	1.8
453.28665	5.1
493.94110	1.2
504.30975	30.1
505.31131	1.1
514.85980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68946	0.1
59.01242	19.4
59.02455	0.3
66.05073	0.1
78.95761	15.8
78.97627	0.2
80.96381	0.1
83.07389	0.1
85.37996	0.2
85.38445	0.1
85.93875	0.1
91.73330	0.2
96.96836	0.3
103.23331	0.1
122.98404	0.2
124.14477	0.1
128.26237	0.1
134.98431	0.1
137.79500	0.1
152.99472	2.7
168.04211	3.0
194.05797	0.2
201.56822	0.1
224.06897	8.0
237.22169	0.2
242.07977	1.7
255.23293	100.0
255.33711	0.9
256.23621	2.6
480.30978	55.2
481.31326	2.2
495.27127	0.2
555.28296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43017	0.9
59.01244	14.5
61.98682	1.2
63.77883	1.0
75.02641	1.1
78.32558	1.0
78.95770	3.8
83.71981	1.2
96.95846	1.7
99.22031	1.1
129.33925	0.9
162.76276	1.2
168.04121	1.4
204.96704	1.3
255.23288	100.0
256.23618	1.4
280.80142	1.1
314.00458	1.3
480.31052	29.6
481.30905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70594	0.9
55.01759	1.5
57.03338	1.5
57.87241	0.9
58.81360	0.9
59.00006	1.3
59.01243	66.8
61.98703	2.1
63.35020	0.9
65.20790	1.0
67.29064	1.0
71.76163	1.1
73.02823	1.7
74.38560	1.0
78.95795	4.2
80.96411	1.2
82.06955	1.2
83.01247	6.3
83.68047	1.1
89.51039	1.1
90.27059	1.1
91.03902	2.4
96.95908	1.6
97.98544	1.1
101.02315	2.7
119.03376	1.6
130.08655	2.4
157.05011	2.2
164.79047	1.3
175.06064	3.5
186.74837	1.2
193.07224	5.1
202.15862	1.4
227.04015	1.2
242.08038	2.8
277.21729	26.0
277.24591	1.8
279.23306	100.0
280.23651	2.6
366.14618	1.3
435.27771	5.4
453.28625	26.6
495.30020	5.6
504.31033	30.3
505.31497	1.4
554.27954	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	554.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98630	0.5
55.00017	0.5
55.01759	0.9
57.03307	3.5
59.00025	1.9
59.01243	100.0
59.02321	1.0
59.66377	0.4
61.98693	0.6
62.02712	0.5
73.02803	1.4
78.95770	1.6
80.96407	0.7
83.01242	13.7
86.18632	0.6
89.02306	1.3
89.98291	0.6
91.03861	3.3
96.95864	1.3
101.02298	5.4
112.24661	0.5
144.44035	1.4
152.99580	0.7
157.04964	9.7
157.06113	0.8
175.06029	16.9
175.07437	1.1
193.07101	3.8
201.27133	0.6
202.10826	0.9
203.41362	1.4
277.21735	54.2
277.35809	0.6
279.23322	5.0
282.09024	0.6
301.21802	1.8
337.09747	0.6
379.13870	0.6
412.82248	0.6
435.27499	7.6
453.28604	49.0
454.29425	1.4
459.27731	0.8
467.27484	0.6
480.33679	2.2
495.29807	5.8
504.30917	3.9
538.73779	0.7
554.27521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43437	4.7
52.09709	4.9
57.03318	100.0
57.73968	4.9
58.43697	5.1
59.01239	91.9
62.64379	5.4
71.01237	43.8
73.02811	59.0
75.90123	6.5
83.01264	13.1
85.02821	8.3
89.02295	34.8
99.04377	94.1
101.02300	90.0
101.02850	7.1
113.02304	30.6
119.03400	15.6
123.04378	33.8
125.02302	47.4
128.03462	7.6
131.03432	7.1
149.04504	10.4
161.04430	39.6
163.01070	6.6
179.05624	18.5
231.13879	82.4
311.47092	7.2
534.47864	8.0
555.24872	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	555.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74440	1.1
52.61776	1.3
58.02836	2.4
62.46722	1.5
70.02829	1.9
72.81363	1.3
76.91526	1.5
82.02843	6.8
84.04407	4.7
87.05501	3.6
94.02843	1.7
96.04410	2.2
96.95843	1.7
97.02760	1.6
97.03923	5.4
98.02329	54.9
99.01826	1.8
107.04885	2.0
109.03917	6.1
110.02341	3.5
112.03886	6.1
113.03410	14.3
114.09084	1.6
116.07040	2.0
122.05991	2.3
123.42294	1.6
124.03958	3.2
126.01832	5.4
127.04994	24.3
128.03395	4.9
130.08612	100.0
132.33809	1.6
136.03815	2.3
137.07071	6.0
138.01871	2.3
138.05482	3.8
140.07063	2.5
140.10725	2.4
151.60172	1.9
153.02933	3.0
153.06609	2.6
155.08153	3.1
155.11781	2.8
156.06535	5.0
157.13353	21.9
165.06609	2.4
167.11783	2.6
180.07724	2.6
181.06140	8.2
183.11264	10.2
193.06038	1.9
197.12906	7.2
201.12378	54.2
211.07216	1.9
224.06602	2.8
226.08257	2.2
227.10300	14.6
237.05212	2.4
242.11440	4.5
257.08237	4.7
264.09875	4.6
268.16678	11.1
308.08887	3.5
312.15723	15.1
355.16318	25.4
395.19507	2.9
411.13501	3.2
411.18866	57.8
439.18402	63.7
440.18149	2.7
481.24304	12.3
483.25696	2.9
555.27814	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89516	1.6
57.11439	1.4
57.36594	1.4
59.01208	1.6
61.98412	1.8
61.98695	28.5
67.13165	1.8
71.01229	3.6
73.02784	1.7
77.49290	1.9
78.98433	7.0
79.95578	5.6
80.96371	49.5
87.00721	4.4
87.62800	1.8
94.97929	10.1
98.79068	1.9
101.02313	2.2
122.97458	3.9
125.02291	2.3
134.97429	5.3
148.99034	3.4
152.98523	4.4
164.98541	11.1
167.39783	2.1
178.43826	1.8
206.99660	2.7
225.00705	18.0
255.23209	4.3
299.04602	2.4
391.19858	2.2
458.48199	2.4
555.28406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
58.78419	0.4
59.01234	1.5
69.03309	0.8
71.01249	5.6
73.02800	1.7
73.49467	0.4
78.95775	0.6
78.98447	5.2
79.95586	8.0
80.94384	0.8
80.96374	57.3
80.98158	0.8
81.03300	0.8
84.00909	0.6
85.02814	1.6
87.00726	1.9
92.70348	0.5
94.97946	14.5
96.95879	1.4
97.02808	1.0
101.02288	1.9
104.96378	0.4
106.97966	2.5
113.02329	0.8
122.97459	4.9
125.02315	2.7
127.03849	0.6
134.97464	4.0
136.99034	1.4
148.99039	6.2
150.35899	0.5
152.98506	5.7
152.99527	0.7
164.98534	9.5
182.99640	2.2
206.99640	2.6
211.87958	1.4
225.00697	14.2
243.01762	1.2
255.23294	3.8
299.04367	2.6
481.99176	0.5
555.28485	100.0
556.28607	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	556.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22775	1.4
50.23002	1.2
54.02506	1.3
54.12051	1.3
56.52743	1.2
59.01252	2.0
66.89468	1.6
82.39794	1.5
83.96679	1.7
92.04962	2.4
96.95863	2.8
103.18931	1.5
108.04434	4.3
109.07054	1.7
112.03886	4.0
116.04930	11.0
120.04418	100.0
122.05984	4.3
123.03152	4.0
124.03912	6.3
132.04420	9.6
138.05490	21.5
150.05475	32.7
158.02408	3.4
160.03931	59.0
164.07045	8.4
168.06563	54.5
174.42360	1.8
184.06184	2.2
184.88113	2.0
190.05045	18.6
192.06596	99.9
192.14572	1.9
204.06569	3.2
237.10385	2.2
255.11423	4.6
281.09418	3.1
293.09308	6.3
311.10498	2.4
323.10425	6.5
325.11954	5.1
341.11453	63.7
353.11508	8.2
355.13037	11.2
371.12531	6.0
373.14069	53.0
444.15881	2.3
462.16818	8.0
480.17831	10.8
488.14651	4.2
506.15695	18.4
524.16840	6.1
538.18274	12.4
556.19440	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	556.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66897	0.7
57.45229	0.8
59.01236	1.1
61.98252	0.6
65.11468	1.0
91.73351	1.5
92.04919	1.3
96.95867	4.2
104.04934	1.0
108.04414	3.7
110.02312	1.3
112.03897	3.3
116.04913	9.4
120.04417	100.0
122.05981	3.0
123.03143	3.4
124.03958	3.9
132.04410	8.9
138.05484	19.8
138.06509	1.4
150.05490	29.8
158.02399	3.2
160.03928	44.6
161.04248	1.1
162.05534	0.9
164.07072	7.0
166.04968	1.0
168.06566	47.3
172.03931	1.0
176.03462	1.4
184.06090	3.9
190.05014	18.5
192.06584	89.9
193.06950	2.4
193.34457	0.9
204.06595	1.5
235.08714	1.0
255.11414	4.1
256.09912	1.5
263.08160	1.1
265.10040	1.2
267.11392	1.7
281.09271	3.6
293.09366	3.9
309.09015	1.1
311.10440	1.7
313.12048	2.0
321.08899	0.9
323.10431	7.6
325.11969	4.9
337.11798	1.2
341.11447	32.7
342.12119	1.2
343.12903	1.1
345.14709	1.4
353.11539	7.5
355.13016	12.5
371.12527	4.7
373.14063	54.4
374.14542	1.7
434.13275	1.2
450.16187	1.2
462.17041	6.9
480.17905	5.8
488.14761	2.1
494.15637	3.3
506.15668	24.7
512.20410	1.7
520.17419	2.5
524.16840	9.3
526.18195	2.3
538.18286	11.5
556.19348	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60509	0.5
54.16058	0.6
55.32445	0.6
59.01219	0.8
61.84474	0.6
61.98675	1.5
63.43738	0.5
70.39159	0.6
71.01231	1.7
78.95756	15.3
78.98442	1.3
79.95593	1.7
80.34822	0.6
80.96373	13.7
87.89043	0.7
92.32952	1.5
92.33472	1.3
94.97930	3.5
97.33191	0.8
120.68317	0.7
123.29272	0.7
147.79695	0.7
148.98988	1.0
152.98427	1.3
152.99455	2.1
164.98557	1.4
166.13026	0.7
168.04222	2.8
179.45523	0.7
206.99680	1.1
224.06895	9.6
225.00873	1.7
227.43631	0.7
242.07977	1.8
250.92157	0.9
255.23093	1.0
256.23676	0.9
281.24854	100.0
282.25305	2.3
506.32516	64.1
507.32870	2.8
553.04626	0.8
555.28363	1.5
556.28772	23.5
557.28253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03315	2.1
57.39138	0.3
58.99967	1.4
59.01242	100.0
59.02341	1.4
60.01571	0.4
61.98692	0.5
63.57505	0.3
71.01252	0.6
73.02801	3.6
79.95596	0.4
80.96382	1.6
83.01237	13.7
83.04853	0.4
85.02808	0.5
89.02293	0.9
91.03876	4.3
94.82433	0.5
94.97981	0.5
96.95920	0.4
99.00698	0.3
101.02300	3.8
112.33807	0.3
119.03350	2.4
129.16379	0.4
144.07979	1.0
157.04930	2.3
164.98573	0.5
175.06015	6.6
193.07103	6.6
202.15891	0.9
206.52426	0.4
235.08205	0.5
261.22623	0.4
279.23297	46.7
280.23804	1.0
303.23593	1.1
332.85046	0.4
353.61111	0.4
437.29080	7.5
438.29971	0.7
440.08688	0.4
455.30173	45.5
456.30569	2.0
461.29266	1.4
482.34946	2.0
497.31287	6.9
556.28827	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	556.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61087	0.7
57.03323	2.3
59.01243	100.0
59.02450	1.5
71.01247	1.4
73.02830	1.5
75.70750	0.8
78.98422	0.9
79.59431	0.9
79.95589	3.1
80.96379	17.5
81.45972	1.0
81.93011	0.8
83.01241	14.5
85.02817	1.7
87.00757	1.6
87.66531	0.9
90.27340	1.0
91.03864	3.1
91.73267	1.2
94.97948	4.2
96.95863	2.1
101.02295	4.2
106.97906	1.2
111.74292	0.9
122.97449	1.3
134.97464	1.4
141.64143	1.0
157.04968	9.0
164.98546	2.2
175.06033	15.4
193.07199	2.4
225.00714	4.3
256.23578	1.9
261.22253	1.3
279.23303	62.8
280.23569	1.2
437.29211	9.5
444.10666	1.2
455.30170	53.1
456.30664	2.8
482.35083	1.4
497.31445	6.2
541.34113	1.2
556.28857	29.1
557.28784	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61792	0.7
59.01238	3.5
60.01568	0.5
61.97599	1.2
61.98693	100.0
61.99945	2.0
78.95763	2.8
80.96162	0.5
109.83126	0.4
114.33838	0.4
152.99535	0.5
184.39009	0.4
224.06964	0.6
226.07204	0.4
240.96892	0.4
255.23315	9.1
256.23636	7.5
257.23944	5.5
258.24197	1.6
265.07278	0.4
265.10019	0.4
281.25046	1.2
282.25275	1.4
347.96677	0.4
480.30746	2.2
481.31506	1.4
482.31577	6.0
483.31793	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	558.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63841	0.7
107.04869	1.7
121.02805	8.5
122.01801	2.3
123.00752	1.0
123.99745	1.4
136.01527	2.0
137.00531	2.9
151.99216	2.0
166.97998	0.7
184.77208	0.7
185.83067	0.8
197.05986	1.7
197.60059	0.9
224.04788	2.5
225.05553	2.0
226.06319	1.1
227.07185	1.6
241.05095	0.8
242.05908	1.4
258.03406	1.6
305.62848	0.9
409.14600	1.5
437.14017	4.4
471.12732	100.0
472.13098	2.0
472.75568	0.8
558.15881	2.9
582.33545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20801	0.8
55.01761	1.8
57.03334	2.2
59.00053	1.9
59.01243	100.0
67.83983	1.1
73.02823	3.7
79.73429	1.1
79.87560	0.9
83.01237	10.7
91.03896	3.1
101.02310	2.4
119.03345	1.5
157.05040	2.9
175.06020	6.5
193.07143	7.0
281.24872	51.5
439.30548	8.5
457.31711	49.2
458.31866	2.0
484.37045	1.9
499.32776	11.8
537.85846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77575	0.1
69.35858	0.1
79.95592	1.8
96.93411	1.6
96.95868	100.0
96.98705	0.8
97.92935	0.2
97.95823	0.2
106.98334	0.1
107.01251	0.2
113.02308	0.1
113.92518	0.2
114.93279	0.5
133.02844	0.6
149.02318	0.2
149.17552	0.1
151.00215	0.6
175.03929	0.4
176.15500	0.1
188.98604	0.1
189.69981	0.1
199.03932	0.2
217.05025	0.1
256.03793	0.1
261.53375	0.1
284.03488	0.1
285.04062	11.4
286.04608	0.2
301.35068	0.1
340.99814	0.5
382.96939	0.1
390.83246	0.1
395.00519	0.1
443.82224	0.1
443.91171	0.1
461.07281	4.1
479.07645	0.1
499.01944	0.2
559.03796	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	559.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89410	0.1
56.05396	0.1
57.76643	0.1
59.01224	0.2
60.15457	0.1
66.45708	0.1
71.01225	0.2
79.95586	1.9
85.02785	0.2
96.93485	1.4
96.95866	100.0
96.98602	1.1
97.93011	0.2
97.95824	0.1
98.95444	0.1
113.02314	0.1
113.92529	0.1
114.93293	0.2
115.91900	0.2
116.92726	0.1
133.02815	0.3
138.30103	0.1
151.00206	0.2
175.03896	0.2
188.98645	0.1
199.04033	0.2
217.04982	0.1
285.04059	6.5
286.04407	0.3
296.81738	0.1
340.99799	0.7
355.98581	0.1
357.06985	0.1
383.00888	0.5
395.00937	0.2
417.87500	0.1
461.07278	2.6
462.07999	0.1
541.00140	0.1
559.04718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62730	0.1
57.31012	0.1
59.01234	0.2
60.14186	0.1
66.91694	0.1
79.95588	2.0
82.95256	0.5
85.02799	0.2
96.93128	1.1
96.95868	100.0
96.98344	1.5
97.92997	0.2
98.95448	0.2
99.00751	0.2
113.02283	0.4
156.64130	0.1
175.02399	0.1
194.20761	0.2
213.05484	0.4
241.05011	0.2
269.01324	0.4
284.02957	0.1
285.00900	0.3
285.04059	5.0
294.99139	0.3
297.00870	0.2
313.00287	0.3
340.99753	2.1
354.97617	0.3
355.98169	0.2
372.98721	0.3
383.00919	0.7
384.99164	0.3
395.00760	0.9
461.07248	1.0
499.02148	1.2
559.04456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42423	0.6
56.66472	0.7
57.33130	0.6
59.98810	0.7
62.57224	0.7
73.26360	0.7
73.62486	0.8
78.46591	0.7
81.07961	0.8
92.61523	0.7
93.03303	1.7
96.95871	27.4
96.96482	1.5
107.04891	2.0
107.86322	0.9
109.02808	1.3
119.03384	3.3
121.02822	14.6
136.01527	5.4
136.51855	0.7
137.02353	1.4
143.72838	0.9
169.06459	0.9
197.05971	2.5
199.07632	1.2
209.06105	1.4
211.07544	2.5
213.09174	1.3
225.05612	3.4
226.06317	13.9
226.08423	0.9
227.07074	2.4
242.05896	1.5
258.05362	1.6
278.95798	1.0
283.26318	1.0
303.02124	1.0
315.10324	1.4
333.11340	11.0
419.18329	1.2
439.15515	100.0
440.15842	4.9
461.13281	4.9
477.10751	1.3
499.10242	2.6
559.10571	8.9
570.33014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01230	0.7
62.66535	0.4
71.01237	0.6
73.02795	0.4
79.95587	1.5
82.95268	2.1
91.50345	0.4
96.95868	100.0
96.98426	0.9
98.95440	3.9
98.95998	0.4
98.96334	0.7
99.04372	0.7
99.92448	2.1
100.66978	0.5
100.93222	0.6
101.02315	0.5
114.93251	0.8
115.91942	1.2
116.92719	13.6
172.96593	0.8
226.96497	2.1
269.04590	1.8
324.42874	0.5
461.20306	1.3
491.57486	0.5
559.02924	1.3
559.11432	3.8
581.00201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32347	0.4
54.55956	0.5
58.11390	0.6
59.01231	0.6
65.00174	0.6
71.01228	0.6
72.99162	1.3
79.74245	0.6
79.95582	1.8
84.93717	1.2
87.00737	1.6
91.73344	1.1
96.95870	72.3
96.98507	0.8
97.95798	1.9
98.95451	47.4
98.96280	7.9
99.00706	1.0
99.92438	30.2
100.93220	11.5
111.00755	1.1
112.44070	0.6
115.91941	31.6
116.92721	100.0
116.96237	1.1
117.92730	1.8
124.93206	0.7
126.94775	0.8
133.02834	1.9
141.93541	1.8
142.94318	5.3
151.00266	1.9
154.94322	0.8
158.93863	0.7
169.93069	1.1
170.93805	2.5
184.95384	1.3
186.93314	1.0
194.93886	1.4
195.94708	1.0
198.93448	1.3
199.03870	0.9
212.94916	2.6
215.95148	1.4
216.95914	2.1
230.96178	1.0
246.07158	0.6
255.02998	3.5
256.03748	3.4
256.93954	9.0
257.94644	2.5
262.20038	0.6
274.95032	16.4
275.95486	1.0
280.90811	0.6
283.02539	2.8
284.03329	5.9
285.04041	20.6
286.04294	3.5
287.04636	2.1
338.95840	2.0
355.04550	2.1
366.95605	2.2
367.96320	5.8
368.97089	12.7
369.97672	2.3
383.96063	0.6
384.96582	24.5
385.96878	1.8
396.96573	1.3
409.97305	0.7
421.97543	0.8
422.97958	1.4
437.96756	1.2
443.06158	1.1
461.07605	1.1
462.07874	1.1
463.07852	2.3
480.98758	0.9
542.98639	0.8
560.99860	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	561.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26305	1.5
53.58513	1.7
53.73842	1.5
59.01245	11.1
71.01229	10.8
72.99150	4.3
73.49837	1.9
75.00727	14.4
75.39677	2.1
76.44967	1.9
79.67296	1.6
85.02808	12.3
87.00716	7.1
89.02297	3.0
95.01212	2.4
99.00724	6.0
101.81631	1.8
113.02297	14.7
118.28230	2.3
129.45795	1.9
157.82634	2.3
175.02376	2.7
201.40379	2.1
231.05096	2.5
249.06075	17.0
267.07336	3.0
311.29568	66.3
312.29898	3.3
319.29919	2.6
400.07813	2.4
466.60175	2.2
561.36420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62300	2.4
59.01242	8.3
61.98693	2.9
63.16239	2.4
63.60639	2.3
69.94355	2.5
79.79673	2.5
85.65523	2.7
87.94464	2.4
88.76118	3.1
93.18575	2.7
94.81109	3.0
94.95605	4.5
134.95892	3.5
134.96928	70.5
135.97050	9.5
136.93936	8.5
136.96655	59.1
136.97609	5.1
167.33450	3.2
176.98022	51.2
177.98212	8.4
178.95078	8.0
178.97726	50.6
205.61348	3.1
276.98212	54.9
277.98410	28.4
278.95251	4.4
278.97955	100.0
318.99173	8.1
320.99033	12.6
333.45795	3.3
336.94104	4.9
373.52957	3.5
420.99310	4.2
436.95813	4.3
502.95792	6.2
512.66937	3.2
540.46960	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	564.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07189	2.6
52.39189	2.4
56.12862	2.8
59.01247	3.2
65.39618	2.7
70.02833	13.2
71.01229	10.2
71.04870	6.3
83.46857	3.3
88.25130	2.8
96.95847	3.8
99.04353	4.4
109.06514	3.0
116.07052	3.1
120.01131	6.6
121.06465	5.6
129.05525	3.3
130.03275	7.5
138.09125	13.0
146.08115	64.9
148.76599	3.6
159.16374	3.3
170.99959	3.2
217.11922	17.5
242.08401	17.9
258.77277	3.7
264.29706	4.9
277.12280	80.0
277.15060	6.2
401.02945	3.7
443.18652	100.0
490.83408	4.4
539.71210	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	565.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72292	0.2
54.21862	0.2
58.72005	0.2
59.83412	0.2
62.86050	0.2
62.96263	0.6
70.53700	0.2
75.98362	0.2
77.21603	0.2
78.66434	0.2
78.93750	1.2
78.95761	100.0
78.97495	1.4
88.00334	0.2
96.94115	0.5
96.96821	41.8
111.01096	0.5
111.01866	9.8
120.96834	2.1
138.97902	4.0
150.34009	0.2
150.97908	3.8
151.12752	0.2
158.92435	17.0
158.97543	0.2
162.97983	0.3
164.03458	0.5
174.97937	1.2
176.93460	1.5
187.11623	0.2
192.98999	1.6
201.36418	0.4
211.00087	5.7
223.00153	0.3
241.01178	11.7
259.02161	0.3
272.95724	5.4
280.02335	2.1
305.01874	1.1
308.86230	0.6
320.97858	2.8
323.02875	65.4
323.17429	0.6
324.03369	0.5
384.98505	5.2
402.99426	1.4
467.07007	0.4
565.04810	24.4
566.05145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0478
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
56.34373	0.3
62.96260	0.7
64.85220	0.3
66.11845	0.4
76.22750	0.3
76.83786	0.3
78.66871	0.3
78.93777	1.3
78.95758	100.0
78.97480	1.5
88.99923	0.4
91.72716	0.5
95.61445	0.4
96.94159	0.5
96.96817	39.6
99.63794	0.4
111.01862	8.3
111.02597	0.6
120.96800	2.4
138.97897	3.0
150.97913	3.3
158.92432	16.8
163.06787	0.4
164.03346	0.6
174.97954	0.8
176.93550	1.7
177.66974	0.4
192.98997	1.2
211.00076	4.7
241.01170	11.4
272.95731	5.0
280.02289	1.6
305.01791	1.4
308.86160	1.2
320.97845	2.7
323.02856	65.6
324.03180	1.1
333.57910	0.4
384.98511	5.4
402.99472	1.3
534.83228	0.5
565.04810	24.7
566.05139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08687	1.2
51.29306	1.1
57.03316	20.4
59.01233	1.4
61.92830	1.4
63.27277	1.3
66.46959	1.1
71.01231	2.3
72.96184	1.3
73.02823	2.7
91.73318	3.0
91.76573	1.4
93.03327	3.8
96.95871	4.6
97.47697	1.3
99.04374	13.0
101.02325	6.2
111.04375	3.7
115.53859	1.4
125.02294	8.6
137.02339	1.9
143.03412	1.9
160.56674	1.6
173.04453	10.0
213.05518	33.0
214.06290	2.3
227.07228	1.7
229.08722	4.9
244.07387	30.3
259.09778	100.0
269.04941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	0.8
58.77048	0.2
59.01241	0.3
65.79415	0.2
70.02834	0.3
72.00762	0.4
73.87453	0.2
74.02323	2.1
82.02838	1.9
84.04405	2.5
85.32315	0.2
86.02331	13.3
86.04514	0.2
88.03902	1.2
91.73216	0.4
96.04396	0.7
96.95850	0.3
102.98461	1.8
107.05981	0.3
109.07577	1.1
113.05963	0.2
120.01119	15.5
125.07033	0.4
126.05497	0.4
127.05023	3.0
127.08643	11.4
127.09579	0.6
128.03407	100.0
128.07356	1.1
129.03755	0.8
135.05455	0.4
153.06599	5.7
163.11177	0.9
171.07661	33.2
172.07996	0.4
179.04514	1.3
189.12729	0.3
197.05626	0.9
213.03293	1.5
215.06693	5.5
217.15898	0.5
231.04422	8.7
249.05498	48.3
250.05798	0.8
271.20721	0.5
315.19577	1.6
354.45804	0.3
558.52020	0.3
565.25671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43830	0.9
61.98692	2.8
63.62694	1.5
65.52061	1.1
65.97128	1.4
69.13386	1.3
69.36356	1.1
82.02834	2.1
84.04403	3.0
86.02339	11.0
96.95879	2.4
97.56958	1.5
107.73263	1.3
111.78066	1.6
120.01125	14.2
127.05019	1.8
127.08620	10.8
128.03407	100.0
153.06570	5.8
155.02518	1.6
171.07654	35.1
179.04485	2.1
191.98268	1.6
215.06656	3.8
231.04398	9.0
249.05487	50.8
259.57767	1.8
315.19217	1.7
367.68253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10239	0.8
57.03318	15.7
59.01242	9.8
71.01237	6.9
73.02793	1.1
73.70614	1.0
83.01255	2.2
85.02803	2.0
87.00727	1.3
89.02274	1.9
94.99033	0.9
96.95862	2.1
99.00732	1.3
99.04392	3.1
101.02309	8.5
104.59219	0.9
105.09462	0.8
113.02312	1.0
125.02388	1.7
127.83998	0.9
129.47040	0.9
149.36722	1.0
199.06523	0.9
241.18193	2.3
259.09818	6.2
259.19153	33.9
301.20242	1.2
369.80820	1.0
402.12042	1.0
403.23413	7.9
418.72400	1.0
421.24451	100.0
422.24918	2.3
463.25485	42.6
464.25867	1.4
503.28650	9.2
565.28741	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	567.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42178	0.7
50.66676	0.7
78.95756	10.9
81.03845	1.0
96.95860	1.0
96.96821	16.7
107.04885	2.5
144.18890	0.9
219.20183	1.1
298.01672	1.4
306.22650	0.8
333.04648	1.0
373.03836	1.1
385.03976	1.4
404.05563	2.2
435.09128	1.4
463.08496	1.2
464.09818	2.2
469.16574	1.1
473.07690	1.1
491.08255	2.2
491.14771	3.2
492.08969	16.2
507.11279	100.0
508.11600	3.8
510.09949	18.6
524.07928	13.5
525.12427	1.1
539.10577	1.9
552.11163	1.4
554.09113	3.9
567.13281	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	567.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35666	0.7
66.46371	1.0
74.67176	0.8
79.05400	2.6
81.03326	4.9
82.02865	2.3
83.04885	10.7
85.02821	1.3
93.03312	7.9
95.04845	1.0
97.06445	0.9
99.19244	0.8
106.04111	15.4
107.04890	43.3
108.02054	3.6
109.02834	2.4
113.02315	1.0
119.04932	3.0
121.02825	9.8
122.03604	5.4
123.04401	4.7
125.05956	22.6
125.06824	1.3
137.06018	1.2
138.03125	0.9
143.04546	2.1
144.45992	1.2
150.03084	1.1
151.03894	24.8
151.05005	1.8
161.05995	6.8
166.48872	0.9
169.04962	18.7
169.06403	1.0
187.07623	3.2
211.07631	2.7
213.09160	46.7
214.09567	2.1
229.08693	12.5
247.09761	7.3
248.81081	1.0
256.07242	1.1
257.08188	71.7
258.08585	2.1
273.07703	21.1
274.08255	1.1
275.09265	100.0
276.09659	3.0
291.09991	4.6
298.10239	1.0
355.31299	1.0
398.52509	1.0
425.17743	3.2
469.16495	2.6
487.17838	2.1
505.18887	2.7
550.14209	1.2
567.17804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
96.95875	9.9
97.45312	3.6
106.06502	6.1
110.19463	4.7
120.35727	3.8
121.05225	18.4
122.05993	4.8
128.03470	4.9
132.04434	51.1
134.05992	49.6
136.07608	9.3
141.78770	4.0
150.05576	4.4
152.07074	100.0
152.08224	6.8
162.05482	5.2
165.07899	12.5
176.03458	29.5
190.05084	17.5
190.52289	4.5
191.05890	7.9
197.06941	13.9
237.10474	6.6
251.11992	9.3
295.11124	8.6
297.12338	4.6
312.11215	7.4
323.10562	6.6
338.12860	11.8
341.11447	53.5
355.12958	18.7
356.13718	36.9
366.13968	4.5
388.12805	22.0
423.90823	4.9
474.20340	8.4
492.21646	13.0
506.22931	20.0
518.19598	8.5
524.24091	40.4
536.20349	13.4
550.21509	21.4
568.23236	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	569.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09806	2.6
57.03316	21.7
59.01015	2.7
59.01245	30.8
70.54165	2.6
71.01236	32.3
73.02806	13.2
83.01257	9.9
85.02808	11.0
87.00732	3.5
89.02296	16.3
94.25465	2.7
94.99982	2.9
95.01239	2.7
96.72425	2.9
96.95894	8.7
99.00748	5.2
99.04387	13.0
101.02301	44.6
104.44869	2.9
113.02327	18.4
119.03383	8.1
125.02317	10.3
137.02344	3.4
143.03358	5.1
159.02867	3.7
161.04448	10.6
179.05554	4.9
214.37076	3.5
245.10150	3.0
263.11386	29.2
407.15448	8.6
425.16687	100.0
467.17706	23.1
507.20905	3.6
569.20789	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	569.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65726	1.5
57.03317	34.2
59.01005	2.0
59.01245	21.7
63.60916	1.6
71.01242	9.4
73.02801	11.7
75.00661	1.8
80.91534	2.0
83.01227	6.6
85.02824	3.8
89.02305	6.3
91.07928	1.9
91.72616	3.8
96.95877	3.7
97.06476	2.0
99.04375	33.8
101.02289	19.0
111.05756	2.7
113.02299	4.8
121.02596	2.2
123.04387	6.5
125.02312	13.4
130.12976	1.7
139.03638	16.1
141.00546	2.4
141.01576	10.7
141.05446	2.3
147.07948	2.1
149.04411	2.2
153.01601	2.1
153.05214	9.9
158.63800	2.0
161.04495	4.4
163.11201	5.6
165.01624	3.5
179.73347	2.1
181.04765	8.2
183.02692	6.4
197.20256	2.0
203.10475	4.8
221.79279	2.0
225.03760	100.0
236.18176	2.2
245.11542	2.6
255.04883	17.4
285.05948	16.0
345.08011	4.6
365.15643	6.0
407.16980	2.5
425.16614	6.7
467.17889	3.3
487.21860	21.2
509.19925	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	569.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80464	0.1
59.01247	0.2
66.91272	0.1
73.02802	6.9
73.04466	0.1
74.02345	0.2
75.00735	0.2
77.80947	0.1
83.84819	0.1
96.95880	0.2
99.00743	0.9
99.92439	5.3
99.93093	0.3
100.92472	0.1
111.35980	0.1
114.93303	0.2
115.69067	0.1
116.03382	0.4
116.07048	0.3
116.92720	100.0
116.95974	1.3
116.97029	1.1
117.01797	17.9
117.92741	1.7
123.04365	0.3
123.99031	0.2
166.36455	0.1
230.56572	0.2
264.01077	0.2
335.12531	0.2
487.30652	0.3
533.86072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86419	0.6
54.28959	0.5
61.98677	0.5
78.98177	0.6
80.04917	1.1
92.04896	0.8
94.06486	0.8
96.95859	0.7
107.22234	0.6
108.04411	7.3
110.05987	1.4
114.15665	0.6
116.04939	0.8
116.92701	0.9
120.04419	100.0
121.04758	1.1
122.05974	5.1
132.04401	2.9
138.05496	12.7
140.87912	0.6
150.05499	32.8
152.07126	1.2
158.02281	0.8
160.03941	1.2
164.07077	1.0
166.04942	0.8
168.06569	36.1
176.03503	0.9
190.05002	4.1
192.06610	2.8
209.10846	1.2
210.07677	1.2
210.09280	1.8
213.10294	6.1
221.07242	0.8
222.07925	3.1
223.08694	1.0
224.05814	1.1
225.06691	3.8
225.10237	3.1
234.08028	0.7
235.08740	1.1
237.06743	2.8
237.10301	21.6
237.12663	1.3
238.07503	4.4
239.08151	2.8
245.05656	0.8
249.06592	0.9
249.10262	1.1
250.07419	1.0
251.04619	1.4
251.08252	4.9
252.05461	1.9
252.09030	2.4
253.09827	9.0
254.10413	1.7
263.08307	2.8
264.09039	1.1
265.06195	9.9
265.09781	3.5
266.06961	20.9
267.11401	0.6
277.06223	1.2
278.06863	4.1
279.07681	4.1
280.08459	4.6
281.09332	75.6
282.09689	1.8
293.09354	21.5
293.12637	1.3
294.09955	1.7
297.08661	0.9
297.12006	0.8
311.10312	1.5
313.11984	16.3
314.12540	0.8
325.12048	1.3
325.97406	0.7
337.08124	0.8
341.54480	0.8
354.12198	0.6
357.10907	3.3
370.11642	1.3
370.15683	0.9
371.12387	2.7
372.13464	0.9
386.14905	1.9
388.16534	1.2
398.11365	2.1
399.12192	0.8
400.16504	1.7
414.14569	4.7
416.15997	1.7
418.17871	3.2
431.05316	0.7
432.15491	2.2
444.15710	12.2
446.17365	0.9
462.10681	1.1
462.16791	15.1
463.17404	0.8
464.18271	2.2
476.18439	15.4
488.14590	6.2
494.19379	35.7
495.19675	1.3
506.15729	15.3
508.20584	2.5
520.17316	21.6
521.17517	1.0
526.21942	16.1
538.18341	46.6
539.18488	2.0
540.19812	0.8
552.19989	6.7
570.20898	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	570.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	7.5
68.79436	1.2
72.00759	1.7
74.02326	15.5
74.58753	1.4
76.77639	1.3
78.60388	1.2
81.04433	1.5
82.02857	1.5
86.02336	8.0
87.05505	4.6
90.00047	1.7
91.97516	1.3
96.95857	2.5
99.05486	15.7
101.07050	2.4
102.05480	2.4
109.03975	1.6
127.04984	3.0
128.03407	42.5
130.55551	1.4
135.05571	5.0
137.07094	1.5
141.06586	4.6
143.04504	59.9
145.06052	2.1
146.04489	5.2
153.06587	5.3
160.00650	15.0
166.09785	3.2
167.04482	3.8
167.08151	2.3
177.03336	5.1
179.04541	13.3
197.05666	2.0
210.08765	11.7
227.38077	1.5
254.07758	18.8
272.08926	24.5
288.06625	11.2
306.07666	100.0
354.82440	1.6
356.40323	1.6
385.35675	1.6
445.24887	1.9
570.25024	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	571.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
59.01240	1.8
67.63506	0.1
71.01225	0.8
71.45639	0.1
71.89350	0.1
73.02811	0.7
78.95771	0.2
79.95591	1.8
83.01237	0.1
89.02315	0.4
96.93392	1.5
96.95869	100.0
96.98624	1.1
99.04366	1.8
101.02311	1.3
104.86490	0.1
113.02299	0.5
113.05999	0.2
113.72385	0.2
114.93302	0.8
119.03366	0.3
123.04391	0.6
125.02310	1.2
128.03418	0.2
137.02361	0.2
149.04367	0.2
161.04477	0.4
161.80597	0.2
179.05507	0.2
184.63548	0.2
221.06587	0.4
224.97040	0.2
269.04700	0.2
270.18768	0.1
430.39044	0.2
447.24826	0.2
473.20392	2.0
571.14246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73713	2.4
55.07042	2.7
57.03318	42.4
59.01013	3.2
59.01247	36.3
71.00916	2.5
71.01239	17.2
71.88512	3.4
73.02806	13.2
80.91555	10.8
83.01274	8.1
89.02309	10.5
89.41962	2.7
96.95870	9.2
99.00517	3.0
99.04385	40.2
101.02316	28.8
103.75130	2.5
113.02320	16.4
119.03388	3.8
123.04404	5.1
125.02308	14.8
128.03397	4.7
139.03656	10.4
141.00481	4.3
141.01526	16.1
141.05533	3.9
143.03403	4.4
149.04430	4.0
153.01601	8.3
153.05257	9.0
161.04395	6.0
163.03668	3.1
165.01570	4.0
181.04776	7.6
183.02782	12.8
195.02820	3.6
225.03764	100.0
255.04878	20.7
277.05475	3.6
285.06046	14.2
345.08237	4.6
367.17004	4.8
409.18307	20.9
427.18878	5.9
481.06656	4.3
489.23474	31.7
571.24524	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	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.33905	0.8
55.28621	0.8
59.01222	1.2
61.99142	0.8
62.00050	0.8
65.45667	0.9
66.43742	1.4
77.85313	0.8
78.95760	57.7
78.97540	1.0
85.14092	0.9
90.84525	0.9
96.96819	14.3
152.99478	62.0
153.04196	1.0
200.05359	1.2
223.00179	1.5
240.99104	0.6
241.01164	38.0
255.23294	76.9
256.23615	1.6
259.02127	1.0
301.42282	1.0
315.04858	8.4
391.22726	6.5
571.28949	100.0
572.29120	4.0
583.24042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
61.98705	17.6
71.00906	10.1
71.01267	41.1
85.02812	12.4
87.04408	29.2
89.02303	63.2
89.22862	7.5
91.72762	17.7
101.02354	32.9
113.02346	26.7
119.03410	31.2
139.07561	10.1
153.09210	12.9
169.95264	8.7
179.05611	25.1
223.63870	9.1
261.22394	12.5
269.19186	12.9
277.21796	81.9
281.04193	9.6
287.23935	23.2
291.23389	21.9
301.21628	47.1
305.24835	90.7
315.23407	33.5
331.22836	56.8
349.23825	44.2
372.70490	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	571.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12672	1.0
58.21212	1.0
59.00936	1.4
59.01241	26.3
61.98680	3.6
71.01234	3.9
78.95764	4.1
81.73436	1.2
89.02296	3.5
90.57734	1.1
101.02308	3.7
101.92479	1.1
108.92035	1.3
113.02319	1.5
152.99442	2.1
186.49237	1.4
224.15034	1.3
235.08092	1.8
253.09261	22.0
275.20193	100.0
276.20572	3.0
339.86047	1.4
496.31329	1.5
571.28418	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	572.33
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66669	3.5
60.26188	3.5
68.63469	4.2
69.09846	3.9
73.03925	3.4
77.86363	3.7
80.05627	3.8
82.02827	5.0
82.95261	4.2
83.02364	20.0
84.00773	16.4
91.73325	8.9
93.97081	4.1
96.00771	13.8
96.95883	11.7
98.02334	19.7
110.02344	18.9
112.03933	10.7
115.18962	4.3
116.92709	10.5
117.92715	4.7
118.92538	15.8
120.04404	8.3
129.10196	31.8
130.08630	59.4
138.09148	16.1
147.64760	4.6
153.02933	6.6
154.01326	5.1
156.77046	4.7
165.76532	4.3
169.09749	15.4
179.11809	5.6
180.05403	5.2
205.09795	10.4
223.10826	18.1
228.23651	4.7
231.13487	5.5
239.82686	5.3
242.18700	54.8
267.09888	100.0
274.16782	4.6
311.12503	21.7
379.19965	18.9
409.46307	5.0
452.23959	5.1
510.29407	52.8
554.31934	99.1
572.32990	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	572.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10723	0.9
91.72684	2.3
99.04630	1.2
107.05588	1.1
121.96976	1.3
127.18169	1.5
138.19017	1.7
141.76419	1.3
150.22350	1.3
193.15932	2.4
209.15460	2.0
211.16962	5.9
225.22212	3.0
227.16484	37.7
235.78236	1.3
253.21838	2.3
255.16051	4.0
255.23254	4.8
272.18689	5.7
273.17114	13.1
280.19183	1.5
298.20276	2.4
302.05734	1.5
316.21198	6.3
321.14832	1.4
328.21216	3.0
333.23767	1.4
489.55594	1.4
554.44476	1.8
572.45325	100.0
573.45776	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	573.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00156	0.7
52.58371	0.5
52.85929	0.6
59.01231	3.2
60.38972	0.6
62.67807	0.7
65.00174	5.8
71.01233	2.0
74.04465	0.7
75.00746	0.9
83.01225	3.1
85.02804	1.3
87.00746	1.1
90.31875	0.6
91.72683	1.4
95.29974	0.7
96.95869	5.3
97.20978	0.7
97.64056	1.1
97.64583	1.0
99.00749	1.1
107.01241	9.4
113.02290	1.6
121.11231	0.7
125.02281	1.2
128.03383	1.3
149.25598	0.8
151.00256	31.0
152.71721	0.7
159.95641	0.8
163.99260	3.3
165.00060	14.4
168.65886	0.7
169.01234	0.7
189.00136	1.1
207.01227	0.8
217.03278	0.8
230.00406	1.4
231.01213	2.2
239.03499	1.2
240.04268	0.9
245.02763	1.4
255.02991	3.1
257.04578	2.7
272.08881	1.0
273.02295	8.6
283.02524	3.5
284.03204	3.5
314.99603	1.1
317.01248	100.0
318.01636	2.5
359.02393	1.2
396.96872	12.6
491.03226	0.8
493.04474	55.1
494.04776	1.8
537.20148	1.4
547.70654	0.7
573.00269	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	573.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15721	0.3
55.17184	0.3
56.30456	0.4
59.01240	0.4
68.91322	0.3
71.01222	0.3
79.95597	2.1
93.03282	0.4
96.95872	100.0
96.98380	1.4
98.95476	1.4
99.92404	0.5
111.63920	0.3
113.02313	0.8
114.93261	0.4
115.91959	0.6
116.92758	2.6
120.69209	0.4
128.03436	0.5
137.02332	0.7
154.19958	0.4
175.02364	0.4
244.71378	0.4
273.02280	0.4
284.03271	2.5
298.59607	0.4
299.05554	2.6
475.08801	1.2
555.11902	0.4
573.12604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19711	0.6
55.48417	0.9
57.03308	0.5
59.01234	0.8
61.98713	0.6
79.95598	0.9
82.02798	0.7
96.95870	50.9
96.98201	0.8
97.95799	2.0
98.95457	22.7
98.96288	4.1
99.04349	1.0
99.92442	13.4
100.93219	4.7
114.94791	1.6
115.91946	9.3
116.89290	1.1
116.92724	100.0
117.92722	1.8
137.09683	0.7
138.98380	0.7
140.96425	1.0
141.00305	0.6
141.93437	0.7
153.60060	0.7
156.95868	0.8
158.93764	1.3
162.66096	0.7
182.97438	4.4
183.94606	1.9
226.96495	12.9
280.65390	0.9
368.54977	0.7
388.89432	0.8
519.08905	0.9
537.10791	3.7
573.12891	34.1
574.13312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40853	0.3
55.48426	0.7
56.52780	0.3
57.03313	0.9
59.01223	1.0
62.21751	0.4
73.02800	0.5
79.95586	1.2
81.95145	0.4
91.72610	0.8
96.93405	0.7
96.95869	55.0
97.95805	1.6
97.96360	0.6
98.95450	34.1
98.96282	5.8
99.00713	0.5
99.04353	1.4
99.92437	14.3
100.93217	3.8
101.02311	0.9
113.02335	0.6
114.36613	0.5
114.94798	1.8
115.91948	9.9
116.89499	1.2
116.92723	100.0
117.92755	2.1
125.02351	0.5
137.09657	0.7
138.98439	0.5
139.95589	0.7
140.96344	1.0
141.93538	0.8
155.03436	0.6
156.95911	1.0
158.93799	1.7
161.04468	0.7
170.93890	0.6
182.97461	4.4
183.94548	0.7
198.97012	0.7
209.96278	0.5
224.98714	0.5
226.96494	12.9
226.98721	0.8
227.97177	0.8
236.89822	0.5
243.97020	0.4
273.04041	0.4
296.01486	0.4
310.98923	0.6
388.89618	0.7
411.07251	0.7
537.10706	4.7
551.00098	0.5
555.11792	1.8
573.12878	34.1
574.13214	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10860	0.4
51.18728	0.6
51.54863	0.5
53.12059	0.8
54.21636	0.4
57.03314	0.6
62.94675	0.5
67.01759	0.7
79.05407	0.6
81.03311	17.9
81.68413	0.5
83.04878	58.8
83.06930	0.9
84.05206	0.8
91.72687	1.1
93.03315	15.3
97.06439	2.6
103.03659	0.5
106.04100	8.6
107.04890	10.2
108.02035	1.7
109.02808	0.9
119.04899	5.1
121.02814	1.6
123.04385	1.6
125.05951	98.5
126.06281	0.6
128.03400	0.9
134.03638	0.8
137.05977	1.2
145.06491	0.7
147.04158	6.8
148.05151	1.4
151.03882	3.2
153.91820	0.6
159.08052	1.3
162.05489	0.8
165.05240	2.0
167.39047	0.5
169.04962	77.7
170.05304	0.8
171.08028	0.8
172.05194	1.2
173.05943	4.6
185.05812	2.5
185.09627	0.7
187.07558	30.2
188.07898	0.8
189.09146	2.5
197.12857	1.2
209.05800	7.7
211.07385	7.0
213.09157	12.7
215.13943	5.1
227.06882	6.7
229.08394	1.3
231.10231	7.1
235.07378	11.1
253.08455	50.1
257.08179	32.6
257.10919	1.2
258.08347	0.9
260.57764	0.6
275.09265	100.0
276.09723	1.5
279.03357	0.5
279.06378	14.9
280.06818	0.8
297.07455	31.3
467.13361	0.8
555.16833	1.5
573.17371	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	573.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13127	0.8
56.33362	0.8
59.00969	1.3
59.01241	17.8
61.98690	6.1
71.01241	2.4
73.02801	1.2
77.58104	0.9
78.52318	1.0
79.43015	1.1
82.01543	0.8
85.02859	1.4
86.00060	0.9
89.02296	2.9
91.73321	1.0
101.02287	2.8
105.81361	0.9
154.82497	1.2
179.05609	1.3
235.08290	2.3
250.85713	1.0
253.09259	15.4
277.21719	100.0
277.33673	1.5
296.63245	1.2
311.79660	1.2
375.24246	1.1
460.12701	1.5
475.15247	4.2
491.13007	1.4
513.11230	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	573.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59762	1.5
73.03936	9.7
74.02332	2.1
81.39958	1.7
84.04393	3.7
85.65540	1.8
96.95859	5.7
99.85357	1.7
101.07050	2.3
109.03934	5.6
112.05010	2.9
113.03401	2.5
125.03381	3.6
127.04990	15.2
128.03392	8.5
129.10188	7.2
130.06090	35.0
130.08557	1.8
141.10233	2.2
145.06062	36.2
174.08748	3.3
194.67014	2.3
196.14474	20.7
200.49483	1.9
214.15642	5.5
225.13699	4.0
225.16058	4.9
240.13412	2.5
243.14665	2.8
258.14655	3.1
260.62592	1.9
287.60443	2.1
295.21445	2.5
302.31024	2.0
309.22922	10.2
327.24173	14.6
380.45303	1.9
385.58432	2.2
485.27277	7.7
529.29999	100.0
530.29749	4.9
570.81592	2.2
573.32574	39.2
574.32965	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	573.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21288	0.4
51.22436	0.4
51.84454	0.4
59.01244	13.1
59.10634	0.4
62.00666	0.4
65.04491	0.4
71.00900	0.4
71.01231	2.7
73.02800	1.1
78.95757	0.5
80.08656	0.5
80.79676	0.5
85.02797	0.5
89.02288	2.2
89.58847	0.5
100.74514	0.5
101.02309	2.9
102.54009	0.5
113.02315	0.9
116.92729	1.3
116.97141	1.8
119.03391	0.7
141.53506	0.5
144.96066	0.4
161.04468	1.0
164.35355	0.5
170.72574	0.5
175.03804	0.6
235.08247	0.7
253.09288	14.1
265.11862	0.6
277.21744	100.0
278.22195	2.2
391.19760	0.5
415.40540	0.5
537.30371	0.5
537.51807	0.5
588.59753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44857	0.1
59.00067	0.3
59.01242	17.8
59.02528	0.2
61.98689	1.5
70.08150	0.1
70.81334	0.1
71.01235	2.7
71.01592	0.2
73.02800	1.0
81.18474	0.1
83.01264	0.5
83.78196	0.1
85.02792	0.7
87.00745	0.4
89.02296	3.5
91.03884	0.1
92.54936	0.1
95.01247	0.1
99.00711	0.1
101.02304	3.2
107.89766	0.1
113.02307	1.5
119.03387	0.8
122.57403	0.1
127.07539	0.2
133.04922	0.3
143.03329	0.3
146.54732	0.1
157.04959	0.2
161.04449	1.6
179.05563	0.4
233.22714	0.4
235.08199	1.4
253.09280	14.8
259.20569	0.2
275.20215	0.4
277.21732	100.0
278.22092	2.6
399.88766	0.2
540.04352	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	574.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04756	0.7
55.46083	0.7
59.86612	0.7
70.02828	4.2
71.01250	1.4
71.04868	4.8
73.00447	0.8
87.05494	2.7
96.95849	2.3
99.04382	2.0
107.47843	0.8
111.19619	0.8
113.03435	4.0
116.06992	1.0
120.01087	3.4
130.03215	5.2
132.02048	9.0
134.03624	3.8
134.40518	0.8
136.48904	0.9
146.08109	42.2
147.05772	1.7
149.05969	6.4
160.01549	62.3
161.01932	1.0
167.01659	1.3
173.03830	3.9
175.03911	100.0
175.10066	1.2
176.04309	1.1
192.06590	3.0
193.04964	3.1
217.11897	9.8
218.08243	1.5
233.50215	0.9
245.09261	2.3
252.06830	7.7
277.12289	31.0
289.08362	1.7
296.05710	1.6
306.07861	1.1
376.07816	0.8
443.49094	1.1
453.17014	52.8
454.17184	1.7
598.24866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93174	1.3
70.02838	5.3
71.04884	3.7
73.16970	1.3
75.27111	1.6
87.05505	3.4
88.16084	1.5
96.95861	3.9
98.02383	1.9
105.85986	1.5
110.02412	1.6
113.03412	3.2
120.01134	1.8
128.03426	2.2
130.03204	4.7
132.02049	7.6
134.03595	3.9
146.08115	45.0
147.05945	2.9
149.05946	5.1
160.01553	64.8
167.01714	2.0
173.03822	5.0
175.03922	100.0
176.04413	1.8
192.06581	2.5
193.05009	4.8
217.11926	12.1
252.06972	10.8
277.09189	2.4
277.12262	37.7
453.17029	56.3
454.17178	2.4
573.28979	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	575.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83637	0.4
65.00176	0.8
70.09979	0.4
74.11760	0.4
83.01225	0.4
96.95864	0.7
107.01245	2.4
116.87069	0.4
117.03327	7.8
121.02792	0.8
134.89926	0.4
149.02313	3.7
151.00246	4.2
159.04411	0.5
181.06528	0.7
183.04457	0.7
201.05490	0.8
225.05531	1.5
227.03448	0.6
269.04568	100.0
270.04953	2.2
339.67889	0.5
394.65128	0.6
395.18365	0.4
423.16104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52696	0.2
56.47299	0.2
57.03315	0.5
58.89502	0.3
66.84171	0.3
68.69932	0.3
72.99168	12.6
73.02799	0.4
75.00731	43.7
75.02493	0.6
81.03325	0.8
82.03642	0.3
83.04881	3.1
84.05216	0.7
92.23652	0.3
93.03330	0.7
96.95885	0.5
106.04110	0.6
107.04887	0.9
117.01806	0.3
123.08039	0.5
125.05971	3.7
126.06302	1.1
151.03864	0.3
159.31673	0.3
169.04959	2.5
170.05319	0.9
171.05507	0.5
187.07552	0.7
188.07985	0.6
213.09122	1.0
218.75040	0.3
232.10474	0.4
235.07428	0.5
246.07738	0.5
253.08452	1.2
254.08844	1.0
255.09073	0.8
257.08209	1.7
258.08655	0.7
259.08728	0.6
275.09271	2.7
276.09583	2.9
277.09808	1.8
280.06720	0.6
297.07535	0.6
297.40137	0.5
298.07712	0.7
299.15012	100.0
300.15381	2.9
300.90457	1.0
317.81696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48963	0.5
55.46600	0.6
58.83098	0.6
59.01244	14.1
64.17450	0.6
64.84190	0.6
71.01234	2.6
75.12867	0.6
89.02299	1.6
96.95842	0.8
100.94688	0.6
101.02304	3.0
113.02290	1.8
126.82716	0.6
133.04915	0.8
137.65170	0.7
138.36302	0.8
155.47993	0.8
161.04369	1.0
162.47296	0.7
188.61566	0.7
235.08247	1.0
253.09286	11.7
279.23297	100.0
280.23657	1.1
333.44086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	32.4
57.03581	2.0
59.01242	27.4
59.01509	2.0
61.98693	100.0
61.99960	1.9
71.01245	11.2
73.02808	14.5
74.69195	0.9
81.03342	1.5
83.01278	4.3
85.02821	1.8
89.02283	5.6
95.04965	1.0
96.95897	1.5
99.04375	42.4
101.02304	27.7
103.71970	1.3
113.02306	10.2
113.06003	1.6
115.56566	1.0
117.16834	1.1
119.03416	4.1
123.04398	14.1
125.02301	21.0
125.03091	1.6
125.97390	1.2
131.03419	1.5
141.05463	2.6
143.03447	4.6
149.04494	4.7
153.05508	2.6
161.04448	15.0
179.05591	4.5
203.05585	1.3
217.50352	1.1
221.06784	4.1
263.07773	2.5
263.31210	1.4
323.09830	7.5
449.90271	1.6
513.23376	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02231	0.4
57.02737	0.9
57.03316	23.8
57.63000	0.4
59.01241	18.0
61.28218	0.4
61.97431	1.8
61.98693	100.0
62.00095	1.3
62.24257	0.3
63.73299	0.3
69.90537	0.3
71.01236	7.7
73.02809	8.5
73.03206	0.7
79.35896	0.4
81.03316	0.7
83.01254	2.1
83.08102	0.3
85.02808	1.4
89.02293	4.5
89.15046	0.4
91.31363	0.3
97.06449	0.6
99.01945	0.4
99.04377	30.2
100.99772	0.5
101.02305	20.1
110.38518	0.4
113.02309	5.2
113.05969	1.3
119.03386	2.3
120.01097	0.6
123.04388	7.4
125.02320	13.6
127.08694	0.4
128.03404	3.1
131.03412	1.0
141.05476	1.1
143.03392	3.2
145.60500	0.6
147.02977	0.5
149.04456	2.8
153.05440	1.5
157.37697	0.4
161.04442	5.9
163.13918	0.4
171.07675	0.7
179.05539	1.1
183.06853	0.5
183.08804	0.4
186.74081	0.4
189.07660	0.4
203.05573	0.6
221.04391	0.3
221.06476	2.0
237.94705	0.4
249.05524	1.8
250.05856	0.8
251.55482	0.4
261.09769	0.6
430.65225	0.4
473.91284	0.4
513.23413	19.3
514.23737	0.6
554.71863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23394	1.9
55.97424	2.1
57.02741	2.0
57.32840	2.3
59.01229	5.0
59.23740	2.1
60.62928	2.1
78.95756	10.8
128.03439	2.9
143.04446	3.1
168.04234	5.0
224.07045	3.1
242.07988	8.2
257.22684	13.2
277.21667	9.5
301.21744	100.0
449.10168	3.3
502.29059	5.5
526.29401	55.7
526.36755	4.6
576.31036	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92431	3.4
53.35278	3.1
59.01235	12.3
62.46325	4.2
78.95760	39.8
79.42426	4.6
87.31829	3.6
122.81860	4.7
168.04182	5.4
199.16946	4.4
224.06900	16.6
257.22870	10.3
277.21725	25.4
301.21732	61.4
370.53113	4.5
410.39810	4.7
447.27518	4.8
502.29367	13.4
526.29431	100.0
527.29944	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75023	0.1
53.07004	0.1
59.01240	1.4
60.01582	0.2
61.97334	1.6
61.98692	100.0
61.99867	1.5
71.01241	0.3
72.91978	0.1
73.57929	0.1
78.95752	0.1
89.02315	0.2
101.02309	0.3
104.73551	0.1
108.57005	0.1
122.91315	0.1
125.43050	0.2
167.42279	0.1
253.09390	0.4
254.09694	0.4
255.09827	0.4
258.20392	0.1
263.04077	0.1
277.21750	3.1
278.22070	3.9
279.22360	3.1
280.22675	0.8
372.25226	0.2
414.45859	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	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86647	0.1
59.01243	0.5
59.79381	0.1
61.97433	2.0
61.98693	100.0
62.00134	1.0
78.69306	0.2
82.37941	0.2
85.38622	0.2
94.92393	0.3
100.27850	0.2
205.91859	0.2
259.88846	0.2
277.21756	1.0
278.22119	1.1
279.22534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30848	0.6
58.29800	0.7
58.80428	0.8
59.01229	0.7
61.98685	2.3
78.95763	6.9
94.92325	1.0
96.95889	1.1
111.66822	0.9
140.01089	2.3
214.04843	2.9
347.25974	9.3
371.03342	1.4
379.28555	100.0
380.28958	3.0
576.33026	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41565	0.3
54.70012	0.2
59.01242	17.4
66.04974	0.2
67.44016	0.2
71.01250	0.2
73.44297	0.2
73.85634	0.3
78.95761	6.8
91.25723	0.4
91.26189	0.3
93.74178	0.2
96.20056	0.2
143.04510	0.4
152.99466	1.4
168.04227	2.1
175.41731	0.3
190.36450	0.3
224.06944	1.2
233.22881	0.3
242.07938	2.8
254.07957	0.3
259.20746	0.7
272.08923	0.3
275.20160	0.8
276.12131	0.3
277.21735	100.0
278.22025	2.1
283.00858	0.3
317.50543	0.3
502.29446	29.7
503.29764	0.9
510.89841	0.3
576.30737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48577	0.2
54.41567	0.3
59.00068	0.3
59.01242	23.8
61.97498	0.3
61.98685	0.3
71.01248	0.3
74.39033	0.3
78.93991	0.5
78.95762	23.1
78.97726	0.3
79.98064	0.3
80.96371	0.7
91.25671	0.8
95.08986	0.3
96.96812	0.4
105.95483	0.3
122.98347	0.6
131.82733	0.3
152.99478	4.2
166.22417	0.3
168.04230	5.0
224.06909	10.9
233.22672	0.4
242.08008	2.7
259.20764	0.5
268.26395	0.3
275.20273	0.5
277.21738	100.0
278.22104	2.9
301.21722	3.8
332.56421	0.3
363.10031	0.3
502.29449	73.3
503.29807	2.8
526.29504	5.1
577.27295	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31739	0.8
53.46639	0.9
59.01236	1.4
61.03099	0.8
61.98681	1.9
65.41210	0.9
66.29053	0.9
71.01227	5.8
73.30574	0.8
76.38935	0.9
78.98429	3.8
79.95579	7.9
80.96374	54.3
85.02784	2.0
87.00751	2.2
94.97933	12.5
96.95844	1.6
97.02785	1.5
101.02294	2.2
106.97929	3.1
122.97440	2.7
125.02333	1.9
131.12987	1.1
134.97441	3.4
136.98972	1.6
138.59169	0.9
148.99007	4.9
152.69452	1.0
152.98491	4.2
157.48453	1.0
164.98543	9.3
206.99699	1.6
225.00684	10.2
280.09921	1.2
299.04578	2.7
478.96576	1.2
577.26892	100.0
578.27393	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02505	0.5
53.79787	0.5
54.10205	0.7
59.01241	0.8
64.11995	0.6
67.13823	0.7
71.01252	6.5
73.02798	1.5
78.98438	4.2
79.95602	8.6
80.17374	0.8
80.94488	0.9
80.96374	52.3
81.03310	1.1
85.02819	2.1
87.00752	2.9
91.72726	0.7
94.97947	13.5
96.95853	1.0
97.02814	1.1
101.02309	2.4
102.58669	0.8
106.97966	3.3
117.64852	0.9
122.97449	4.1
125.02324	3.3
128.39987	0.7
134.18251	0.8
134.97464	3.3
148.99048	6.0
152.15404	0.9
152.98528	6.9
164.98535	12.5
182.99637	2.6
206.93599	1.5
206.99818	1.8
225.00716	17.1
243.01775	1.2
277.21759	1.9
299.04379	3.0
428.53320	0.9
457.67911	0.8
577.26929	100.0
578.27173	4.2
597.22040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4238
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
52.83693	0.6
59.01227	0.9
78.17342	0.5
78.95684	0.6
90.41404	0.5
95.70522	0.6
96.72894	0.9
96.73428	0.9
158.91235	0.6
277.21725	100.0
278.22073	2.1
328.75018	0.7
328.78915	0.6
479.01410	0.7
545.78210	0.8
577.42438	44.6
578.42474	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	578.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	3.8
58.44449	0.8
59.01216	0.8
67.07594	0.9
74.02328	9.5
78.76955	0.9
86.02315	5.3
87.05504	2.5
88.03927	0.9
93.03333	1.2
94.28655	1.0
97.03915	1.6
99.05504	11.0
101.07086	1.1
104.33707	1.0
107.04882	10.4
112.03929	1.0
121.02803	6.1
125.00489	1.3
125.03436	1.1
128.03407	30.2
128.73180	0.9
133.02800	1.9
135.05515	3.2
139.99260	10.1
141.00021	3.4
143.04500	43.4
144.04964	1.0
145.06059	1.7
146.04459	3.5
150.03137	8.2
151.03902	6.4
153.00053	18.0
153.06567	1.9
154.00824	31.9
155.08125	1.4
157.06464	2.5
166.09799	2.6
167.04550	1.6
169.06462	1.1
171.08057	5.9
179.04552	7.6
181.06534	4.7
182.02106	4.0
183.08096	1.5
185.05821	1.8
185.99835	4.7
197.05940	3.7
199.07527	8.4
208.05316	1.4
209.06038	12.9
210.06807	3.5
210.08783	8.5
224.04724	1.9
225.05492	9.5
226.06320	2.7
227.07100	44.8
243.04411	1.1
250.36407	1.0
253.05023	21.9
254.05707	1.8
254.07860	17.4
261.05920	46.4
269.04770	2.1
271.06107	10.8
272.08932	60.2
284.35593	1.0
287.03903	15.5
305.04904	100.0
306.05173	1.9
313.07294	1.4
320.84601	1.1
337.40219	1.0
422.60126	1.2
442.77695	1.0
449.10205	10.8
459.36765	1.0
472.70602	1.1
534.48743	1.2
560.13629	3.4
578.14557	65.0
579.15070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82265	1.0
53.56861	1.0
59.01244	9.6
61.98697	1.4
77.00495	1.3
78.95760	12.3
80.62849	1.0
81.26370	1.0
83.04906	1.2
98.15746	1.1
111.97076	1.1
121.02843	1.9
122.03070	1.2
152.99532	1.7
161.64790	1.1
168.04182	4.6
182.18816	1.1
191.40509	1.2
193.05078	1.3
222.10513	1.2
224.06955	2.5
242.07994	5.5
259.24338	6.6
279.23315	35.4
280.23697	1.9
303.23291	100.0
304.23685	3.3
394.99695	1.4
444.78461	1.5
477.28946	1.7
504.31009	14.5
528.30957	48.9
529.31519	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86968	0.4
59.00102	0.3
59.01243	20.2
59.02485	0.3
59.90766	0.2
61.98686	0.3
62.96231	0.2
64.69597	0.2
78.95761	22.2
78.97699	0.3
89.34828	0.2
91.79361	0.4
96.96823	0.5
122.98381	0.5
138.51622	0.2
149.90569	0.2
152.17975	0.2
152.99481	3.5
158.15190	0.2
168.04214	4.0
180.67424	0.2
196.55272	0.2
224.06892	11.1
230.13019	0.2
242.07922	2.6
256.59818	0.3
259.24170	0.6
261.22235	0.4
279.23300	100.0
280.23602	2.5
303.23306	7.0
304.23605	0.3
317.74216	0.2
317.86047	0.2
374.44366	0.2
387.79263	0.2
477.28534	0.4
504.31003	57.3
505.31348	2.5
528.31030	8.6
529.31519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59665	0.2
51.64713	0.2
53.21221	0.3
54.39948	0.2
54.86971	0.3
59.01242	14.2
59.02502	0.3
60.76410	0.2
78.95760	5.4
90.30716	0.3
91.79370	0.7
91.79883	0.4
100.58450	0.3
103.90890	0.3
152.99463	1.3
168.04228	1.6
175.75604	0.3
202.15790	0.4
224.06938	1.2
242.08000	2.3
261.22058	0.4
279.23297	100.0
280.23676	2.2
303.23239	1.2
364.32538	0.3
474.00229	0.3
504.31015	28.0
528.30603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31547	0.3
54.58450	0.3
55.40323	0.3
55.64619	0.3
57.03304	0.4
59.01247	2.1
71.01234	1.6
73.02817	0.9
85.02798	0.7
85.86803	1.1
87.00737	0.7
89.02276	0.4
96.95843	0.6
101.02285	1.1
113.02268	1.2
114.29794	0.3
114.99200	0.8
117.00018	0.4
120.30267	0.6
141.06940	0.8
143.03391	0.3
143.03787	0.6
143.04903	6.8
145.02808	0.4
157.06470	1.3
159.08043	3.0
181.06532	1.2
182.07274	1.4
183.04462	0.5
183.08052	4.1
185.05994	14.6
185.07663	0.8
188.55237	0.4
199.07553	0.5
202.54578	0.4
208.99640	0.4
225.05592	1.4
227.07100	100.0
228.07382	1.5
253.05026	1.7
271.06131	1.0
271.96082	0.4
361.47186	0.4
432.28708	0.5
535.18030	1.6
547.15790	0.5
579.17249	54.7
580.17230	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03255	0.1
56.70679	0.1
56.89176	0.1
57.02300	0.4
57.03316	25.7
57.04460	0.6
59.01237	1.3
68.15136	0.2
71.01234	1.0
73.02811	0.3
81.03315	0.9
85.02795	1.0
93.03311	2.0
99.04375	22.2
99.06966	0.3
101.02301	7.3
102.04058	0.2
108.02039	0.5
108.52901	0.2
109.02818	0.2
113.02307	0.5
121.02818	35.8
121.06368	0.4
121.74059	0.3
122.03611	9.6
125.02312	14.1
134.03566	0.2
135.04399	0.2
136.01518	0.2
136.05186	1.5
143.03374	0.4
145.04904	0.3
150.03114	0.3
159.02869	0.2
161.04462	1.0
243.06586	0.6
256.07431	0.3
257.99268	0.2
258.08969	10.7
259.09509	0.2
271.09818	0.5
272.10562	6.9
273.11337	100.0
273.23288	0.8
274.11682	2.1
287.09088	0.2
287.76147	0.2
299.12909	1.1
305.10248	0.3
315.12329	0.6
327.12302	0.3
352.50748	0.2
358.73865	0.2
417.15598	5.7
418.15891	0.2
424.77802	0.2
435.16583	1.8
477.17480	0.7
520.51099	0.2
579.20526	0.7
591.74579	0.2
593.13281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36836	0.7
50.70375	0.6
51.86116	0.6
52.08715	0.6
53.58181	0.7
53.78625	0.6
57.03312	3.3
58.46743	0.6
59.01246	1.7
59.31553	0.8
60.99170	12.0
61.24271	0.8
64.05724	0.7
68.70970	0.8
76.03722	0.8
77.05690	0.8
78.95735	0.8
79.34612	0.7
84.59261	0.8
88.96482	1.6
88.98659	100.0
89.01083	1.1
99.04374	3.1
101.02312	2.4
102.21579	0.9
118.62164	1.2
123.04415	1.1
125.02326	2.0
128.03340	0.9
148.90897	1.6
168.59250	0.9
277.21902	1.1
304.42490	0.9
435.08621	4.3
489.23502	3.2
552.39410	1.0
579.12561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66623	1.6
87.53271	1.7
93.08542	1.7
95.02348	2.0
96.95880	3.5
97.03947	3.3
98.02332	3.0
99.01949	1.9
109.03954	4.3
109.12260	1.5
113.03455	7.4
113.05981	2.0
115.08646	10.7
118.81851	1.9
122.11610	1.6
122.69043	1.9
125.07077	5.7
126.90347	1.6
127.05029	12.0
130.08617	49.5
130.09546	2.7
137.07112	2.5
138.05539	2.6
139.08804	1.8
150.02992	1.8
151.08612	1.6
156.06592	6.8
157.13347	17.4
168.07767	2.9
168.52261	2.3
180.07706	2.4
181.06131	11.6
183.11348	5.9
196.10831	4.9
198.08734	2.0
201.12384	48.7
214.15492	2.2
224.06790	5.2
227.10371	10.6
249.09940	2.9
266.12546	3.3
277.36368	2.4
300.87943	1.7
312.15677	4.8
329.18555	2.3
355.16260	40.0
481.24280	26.6
509.27667	3.1
527.83490	2.2
536.28540	7.4
552.28491	2.8
562.26361	3.6
579.29022	100.0
580.29199	3.9
603.65472	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	580.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24398	3.4
59.01236	8.0
59.18139	3.8
60.73093	3.5
61.98695	43.0
72.40155	4.1
78.95760	50.5
91.85479	4.3
102.58090	4.0
127.11505	4.4
140.01074	13.5
196.03722	21.8
197.57358	4.7
257.22659	10.1
301.21768	72.5
472.94571	4.9
498.26328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	13.9
61.98695	0.5
78.95757	4.1
80.53442	0.4
90.78214	0.4
91.72721	0.5
92.32984	0.7
96.95852	0.9
152.99500	1.3
168.04193	1.1
200.93008	0.5
206.63525	0.5
216.40900	0.4
224.06880	1.0
242.07976	2.0
281.24863	100.0
282.25232	1.8
471.39249	0.6
483.87485	0.5
500.47400	0.5
506.32501	28.2
507.32870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39297	0.4
54.35342	0.4
58.74337	0.4
59.01243	17.0
59.52674	0.4
67.87776	0.4
78.95300	0.9
78.95759	17.2
92.32964	1.0
98.49624	0.4
102.99908	0.4
118.78441	0.6
133.42595	0.5
134.97389	0.5
139.64232	0.5
141.01569	0.7
152.99438	2.8
168.04202	3.3
224.06883	7.5
242.07973	2.1
249.45949	0.5
256.28995	0.6
280.76160	0.5
281.24866	100.0
282.25217	1.8
290.48746	0.5
506.32526	53.9
507.32867	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12458	0.6
57.46115	0.6
59.16135	0.8
59.75432	0.6
67.93182	0.7
76.48438	0.6
135.07863	0.8
163.60863	0.8
168.12703	0.8
169.65431	0.8
198.16501	0.7
223.10423	1.0
279.88519	0.8
355.06589	2.6
356.03711	6.8
373.07874	1.5
423.16104	5.9
424.16245	1.2
431.09631	9.1
459.09232	3.2
460.09958	21.9
461.10687	7.4
469.50482	1.0
479.11920	12.3
492.09091	13.7
499.08405	1.2
521.12860	100.0
522.12964	5.1
523.10730	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	581.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81971	1.1
57.03310	5.5
59.01245	11.7
60.99156	2.8
69.03336	1.6
71.01240	8.0
72.42033	1.2
72.99159	2.8
73.02811	2.6
75.85072	1.2
76.30467	1.2
76.93804	1.2
85.02798	24.5
87.00737	10.4
88.98660	29.6
89.98994	2.3
90.99100	1.8
95.01240	3.6
96.95882	4.4
97.02805	4.0
99.00738	4.1
99.04373	3.1
101.02315	1.4
103.00243	3.0
107.04896	19.0
111.00738	1.5
113.02307	27.1
115.00226	3.1
121.02818	11.0
122.03589	18.5
124.01520	1.7
125.02338	1.5
133.02875	1.8
137.02310	1.8
175.02394	25.7
181.63467	1.3
216.10394	1.5
227.07068	5.4
229.08661	84.8
230.09105	1.4
285.04068	19.5
353.35443	1.4
387.11069	1.7
405.11938	100.0
406.12372	3.9
461.07330	2.5
483.06085	1.7
581.14886	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97532	0.9
57.03319	1.3
57.23711	1.0
59.01238	9.3
60.41286	1.1
67.01742	4.3
71.01244	8.4
72.87087	1.0
72.99165	6.3
73.02811	2.0
79.47575	1.3
83.01241	1.8
85.02802	3.7
87.00737	1.9
95.01253	2.0
98.12565	1.3
99.00738	4.5
108.01996	1.7
109.02816	3.3
113.02294	4.1
115.00212	1.8
121.02821	7.6
128.03398	1.4
143.04959	1.7
145.06483	4.1
147.04355	3.0
157.01424	1.5
168.49898	1.2
169.06465	4.1
171.04448	6.3
171.08058	4.3
172.05203	2.4
173.05977	12.1
187.07574	13.3
189.09097	1.7
215.07077	100.0
216.07379	1.3
220.99983	1.4
231.06610	4.3
259.06119	2.3
260.83832	1.4
321.08286	3.6
329.10760	1.9
370.87003	1.4
475.15915	2.9
537.16144	50.2
580.29303	2.4
581.15192	11.3
581.29004	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	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29551	0.1
57.03317	0.2
57.71367	0.3
59.01239	3.9
65.00178	0.2
65.03819	0.8
67.01749	0.6
69.03301	0.4
71.00865	0.3
71.01237	4.0
72.99169	0.2
73.02805	2.2
75.00694	0.2
77.64570	0.1
79.05386	0.6
81.01287	0.3
81.03311	17.1
81.05112	0.3
83.01234	0.7
85.02805	2.8
86.45164	0.4
86.45668	0.4
87.00729	1.8
87.04366	0.7
87.27617	0.3
89.02291	0.6
91.72785	0.2
93.03311	3.1
95.01215	1.1
97.02808	0.4
99.00735	0.4
101.02305	1.8
104.44550	0.2
106.04098	4.0
106.22786	0.2
108.02032	0.6
109.02811	2.2
113.02298	2.2
115.03887	1.1
122.03582	1.5
123.00552	0.7
123.04382	68.0
123.07741	0.8
124.01540	0.3
124.04723	0.6
125.02308	0.5
131.03372	1.3
137.02336	0.6
138.03110	1.1
143.03386	1.3
145.04915	0.3
149.02390	0.8
153.01852	0.2
159.04440	0.4
161.04515	0.4
161.05888	0.2
165.05516	0.1
166.02594	1.3
167.03436	0.2
183.22089	0.2
185.05975	0.3
187.07690	0.2
198.01649	0.2
205.07097	0.3
207.23950	0.2
227.07126	0.5
228.98892	0.7
229.08658	92.7
230.09004	2.0
247.09769	0.4
255.06613	1.7
271.09885	0.4
272.06998	0.2
273.07602	0.8
288.45441	0.2
408.80508	0.2
495.28677	0.2
537.19824	0.7
581.18781	100.0
582.19080	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88263	0.4
54.68172	0.4
57.03308	0.6
59.01012	0.4
59.01241	4.2
59.76220	0.4
66.16938	0.4
71.01234	1.1
73.02798	0.5
85.02805	1.0
86.45168	1.0
86.45666	1.0
88.40006	0.4
89.02244	0.6
93.03292	1.0
96.95827	0.9
103.71639	0.4
106.04101	1.1
107.04887	28.3
120.99062	0.6
121.02818	16.3
122.03606	23.5
123.16853	0.5
124.01534	0.9
137.02313	1.6
150.03111	13.2
151.03804	1.1
154.02603	1.4
182.02110	7.6
227.07130	4.5
228.07742	1.0
229.08665	61.3
230.09061	0.9
241.08542	0.5
253.08630	0.6
255.06665	0.9
271.09698	1.2
272.06924	2.7
273.07727	10.4
273.11014	0.9
274.11597	1.5
275.11996	0.7
314.58209	0.5
315.08801	0.8
328.52042	0.8
382.75696	0.6
415.76715	0.5
435.12958	0.9
581.18787	100.0
582.19397	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	581.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04428	0.3
57.72060	0.4
58.09423	0.4
58.38439	0.9
58.38686	0.4
61.53760	0.4
63.00161	0.4
66.33132	0.5
71.82446	1.1
71.82806	0.7
72.98795	0.7
72.99166	10.9
73.02770	0.5
75.00356	0.8
75.00732	9.6
75.11056	0.4
80.32696	0.5
81.03280	0.7
83.04864	0.4
86.84821	0.4
93.03313	3.7
100.98443	0.4
106.03399	0.8
106.04103	15.9
107.04890	23.9
108.02016	1.8
108.05257	0.4
121.02843	3.3
137.75023	0.5
138.03064	0.6
151.03970	0.5
158.61467	0.5
171.08122	0.9
176.60901	0.6
211.07600	0.6
213.09157	41.6
214.09579	1.2
253.28285	0.4
257.08194	100.0
258.08533	3.4
277.44360	0.5
278.69315	0.5
280.52499	0.4
281.76044	0.5
323.18655	60.2
324.19016	1.0
440.57907	0.5
537.18256	0.5
547.00494	0.5
581.16620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64250	0.5
59.00971	1.2
59.01241	16.5
78.95755	16.7
91.62503	0.7
91.73347	1.3
92.86568	1.4
92.87070	0.8
109.25595	0.7
123.00480	0.9
152.99432	2.9
167.09282	0.7
168.04207	2.5
175.81245	0.9
224.06892	8.8
242.07954	1.7
283.26431	100.0
284.26840	2.3
508.34085	61.6
509.34668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.123
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38945	0.5
67.05154	0.5
70.37132	0.7
72.14691	0.5
91.73333	1.0
96.95858	1.4
108.02010	1.6
109.02820	14.5
121.02811	2.1
123.04414	2.7
128.03387	0.7
129.06474	0.5
145.02827	4.9
146.02473	1.2
146.03622	19.8
158.03641	1.9
159.04413	4.3
159.90749	0.6
160.05128	3.0
161.05998	6.1
170.11064	0.6
180.10037	0.5
180.60280	0.6
211.07608	1.1
221.06145	1.0
222.06891	1.5
224.04918	0.6
229.08755	1.4
230.08957	0.7
238.06358	1.2
239.07124	4.6
249.05588	2.3
249.31902	0.6
250.06357	5.7
251.07030	1.2
265.08740	2.0
266.05887	3.0
267.06650	31.0
268.07025	1.2
280.07422	1.0
281.08179	4.6
282.08990	30.6
283.09396	1.2
296.54797	0.7
297.11328	100.0
298.11710	2.9
341.10327	19.6
358.20300	0.6
501.38678	0.6
503.15591	4.8
504.15637	0.6
537.20013	0.9
553.72534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24765	0.2
51.95412	0.2
57.03316	1.7
57.77522	0.5
57.77785	0.4
58.99983	0.2
59.01242	10.4
59.02362	0.3
62.71232	0.2
67.01749	0.4
68.99673	0.6
69.03320	0.6
71.01239	7.7
72.99163	1.6
73.02805	0.8
75.00731	1.8
83.01243	1.1
85.00613	0.2
85.02805	19.6
85.04767	0.3
86.03148	0.2
87.00731	9.6
89.02286	0.4
93.03297	2.1
93.03740	0.2
95.01241	4.1
95.04890	0.3
96.95847	0.4
97.02809	6.5
99.00743	3.0
101.02315	0.4
103.00225	1.8
108.02026	12.0
109.02799	1.3
111.00752	0.6
113.02306	17.8
113.05329	0.3
115.00237	2.8
117.01799	0.8
120.99100	0.3
121.02823	27.6
122.03613	11.1
123.00507	1.0
123.04386	100.0
123.07767	1.3
124.04730	1.6
128.03380	0.6
129.01794	1.4
135.04399	0.3
137.02339	0.8
138.08673	0.2
139.00250	0.4
154.02629	0.4
157.01318	1.7
168.53192	0.2
175.02391	14.4
175.08087	0.2
176.02757	0.3
197.05890	0.2
225.05554	0.9
227.06990	0.3
241.05089	0.4
242.05739	0.6
243.06609	4.6
244.07275	0.7
245.08176	50.7
246.08582	1.3
292.57227	0.2
359.11276	0.7
403.10397	1.1
407.13516	6.9
408.13980	0.3
420.91635	0.5
421.11411	1.0
530.09894	0.3
565.15363	2.0
583.16736	74.6
584.17047	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.172
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95524	0.8
62.99118	0.9
70.75459	0.9
72.47270	1.1
74.02323	1.9
74.98972	1.2
75.41941	0.9
82.02844	1.9
82.59073	1.0
84.04401	2.1
86.02321	10.9
88.03908	1.0
92.69031	0.9
96.04414	1.2
98.08560	0.9
102.98436	1.5
108.04418	1.0
109.07528	1.0
118.45398	0.9
120.01121	8.6
120.04433	1.7
122.05986	2.5
124.03909	1.3
124.07549	1.1
124.47770	0.8
127.04960	2.2
127.08651	9.9
128.03406	100.0
128.07414	1.1
129.03709	1.2
129.99556	2.0
134.05908	1.0
136.03891	1.6
136.07585	8.1
138.05518	1.5
146.65373	0.9
150.05498	4.2
152.03468	4.3
153.06593	7.5
156.01120	3.2
162.05507	1.2
167.06221	0.9
168.01216	1.0
170.05986	1.0
171.07657	36.2
179.04459	1.2
186.02130	1.0
198.09335	1.0
201.07866	1.3
210.64250	1.1
214.02899	1.0
215.06705	4.4
216.10252	2.8
227.08078	4.9
228.08736	2.7
228.10329	6.0
231.04434	9.7
241.09836	1.4
243.11346	1.4
249.05498	94.7
256.08673	1.8
259.10901	1.4
271.10895	27.5
275.08713	1.2
280.34601	1.0
289.11914	3.2
315.09924	10.0
331.07864	1.2
333.11066	1.3
337.08749	1.5
349.08676	17.4
350.08624	1.0
367.09909	1.6
541.48383	1.0
583.17108	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76130	1.6
59.01252	2.8
60.52053	2.0
71.01236	3.7
72.37170	2.0
81.03339	7.6
83.04897	7.4
83.33954	2.0
85.02797	10.3
85.37180	2.0
87.00784	2.1
93.03320	11.0
94.26332	2.0
95.01265	3.0
95.04910	6.0
97.02795	3.8
97.06466	2.5
99.00762	3.0
99.04391	9.0
106.04108	4.3
107.04900	16.9
108.02031	100.0
109.02812	74.2
111.04418	9.4
113.05987	8.3
119.04861	11.3
121.02813	67.8
122.03628	7.6
123.00823	3.5
123.04383	38.7
124.01549	2.1
125.05943	19.4
132.94078	2.4
135.04398	24.4
138.03160	2.8
141.05449	5.3
150.03142	3.6
151.03949	6.0
153.05458	56.7
161.06064	6.0
166.53886	2.3
169.05035	6.6
173.06039	5.7
175.07553	2.6
177.05560	5.6
189.05493	3.1
199.07753	3.3
203.07086	4.4
213.09235	9.1
217.08754	7.9
227.07088	11.3
229.08699	6.2
245.08160	42.7
245.10472	3.5
246.08641	3.1
257.08145	15.9
259.16922	3.0
263.09360	5.4
273.07700	18.2
275.09290	21.1
276.09598	2.5
289.07248	3.3
291.08743	10.8
307.08279	28.8
397.81973	2.6
468.16516	2.6
583.16980	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34320	0.5
59.01256	0.5
66.06419	0.4
66.44019	0.4
67.24367	0.4
68.54996	0.4
71.01239	2.5
73.02788	0.6
81.37545	0.4
84.40439	0.4
85.02807	1.7
89.02284	0.7
93.03320	0.5
95.01272	0.5
96.95881	1.2
101.02283	0.8
108.02026	7.8
109.02834	0.7
110.03968	0.5
113.02347	1.2
121.02156	0.3
121.02817	13.8
122.03608	20.9
122.04512	1.1
123.04395	17.9
132.03020	0.5
137.02332	2.0
145.74442	0.5
154.02582	1.2
161.04422	1.9
227.07140	2.9
241.99838	0.6
242.09804	0.5
244.07396	15.8
245.08002	1.2
247.88657	0.5
259.09760	100.0
260.10153	1.6
421.15060	11.0
439.17316	0.7
583.16425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.2
59.24949	0.2
65.20344	0.2
67.57738	0.2
78.95766	3.8
79.95602	2.5
85.74929	0.2
91.72784	0.3
94.92382	0.2
96.92064	0.6
96.93102	1.0
96.95873	100.0
96.96769	6.6
96.98343	1.5
114.72890	0.2
160.84108	1.0
249.18625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27132	0.7
61.97331	1.9
61.98692	100.0
61.99914	1.5
82.86597	0.7
111.15945	0.8
237.26198	0.8
332.46771	0.9
339.04123	0.9
383.75339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	27.5
59.01232	2.1
60.35503	1.7
66.84957	1.8
93.03358	2.3
96.95855	5.7
99.04378	23.7
101.02299	7.8
121.02824	14.1
122.03619	11.2
125.02303	16.2
147.27306	2.3
156.72186	2.3
204.64406	2.4
228.07744	2.7
242.09486	7.8
243.10239	100.0
327.56085	2.3
387.14517	8.5
405.15344	3.0
447.16693	3.9
549.19989	5.3
613.56842	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52758	0.1
57.03077	0.1
57.03319	1.8
59.01241	1.4
65.15761	0.1
66.50312	0.2
68.41830	0.1
71.01231	0.6
73.02802	0.5
77.41190	0.1
78.95763	0.4
79.95596	2.4
83.01232	0.2
88.19459	0.1
89.02300	0.4
96.93567	1.2
96.95869	100.0
96.98521	1.2
99.04385	1.9
101.02294	1.4
113.02264	0.3
114.93269	0.4
123.04391	0.2
125.02341	1.0
138.90790	0.2
143.03336	0.2
149.04390	0.2
153.13055	0.2
161.04430	0.4
221.06683	0.2
225.03807	0.2
261.23349	0.2
279.09146	0.2
285.50052	0.1
296.52228	0.2
309.51465	0.2
441.14529	0.2
487.21912	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	585.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43829	1.4
71.01241	2.5
73.02805	5.2
91.99871	1.5
101.02309	25.5
113.02340	2.4
116.09238	1.5
121.02845	12.0
122.03668	1.5
123.07890	1.4
160.84077	16.1
161.04485	5.4
162.83826	15.8
178.99570	1.6
197.06090	1.6
209.06017	3.6
210.06818	3.1
211.07626	3.9
225.05516	3.5
226.06378	4.1
289.62637	1.8
317.11780	3.4
351.00372	1.9
356.75479	1.7
391.11700	1.9
423.16046	100.0
424.16425	4.9
457.03421	2.0
482.43088	2.1
517.06799	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	586.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36794	4.7
65.55247	3.8
77.71599	5.0
95.95060	4.6
102.54328	4.3
107.01836	4.5
148.90974	4.6
225.22247	10.6
293.34479	5.9
465.00027	5.8
550.48438	100.0
551.48401	11.9
586.46436	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	587.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98677	1.0
52.10020	1.1
57.03294	1.8
59.01239	2.8
61.05325	1.3
73.35035	1.1
73.67659	1.4
75.75267	1.3
76.27375	1.1
79.95567	1.5
81.00836	1.5
93.68691	1.5
96.95872	79.4
97.95819	4.1
98.95453	38.4
98.96276	6.2
99.04384	4.1
99.92426	14.6
100.93242	3.2
101.02306	2.1
114.94785	2.5
115.91928	8.3
116.92723	100.0
118.08700	1.4
119.46705	1.6
142.94379	1.2
150.38792	1.5
182.97397	2.7
226.94370	1.8
226.96362	9.8
242.18805	1.7
492.28119	4.0
551.12408	3.1
569.12988	2.8
587.14429	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	587.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59079	0.3
61.98691	0.6
62.47419	0.2
77.09675	0.3
78.95759	43.0
78.97681	0.6
81.45694	0.3
83.59886	0.3
92.58727	0.3
96.96817	4.1
103.57218	0.2
108.34541	0.5
150.97881	0.7
152.99475	50.2
155.12448	0.3
155.21846	0.3
171.00546	20.9
172.45770	0.4
232.23117	0.3
245.04298	100.0
245.15080	0.9
246.04707	1.0
279.11017	0.3
294.84546	0.4
357.58530	0.3
357.64291	0.3
422.37326	0.7
603.92029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70257	0.1
57.03311	1.4
59.01236	1.2
71.01231	0.4
72.00146	0.1
73.02793	0.5
75.42267	0.1
78.95753	0.6
79.95587	1.8
81.03321	0.1
83.39503	0.1
84.95078	0.1
89.02287	0.4
96.93522	1.4
96.95866	100.0
96.98575	1.2
99.04366	1.6
101.02299	1.0
113.02290	0.3
114.93251	0.7
123.04364	0.3
125.02310	0.5
143.03429	0.1
161.04478	0.3
163.14702	0.1
193.38950	0.2
221.06517	0.2
284.26004	0.2
368.11948	0.1
485.16718	0.2
489.23392	2.3
568.90173	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	588.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05301	1.6
56.04681	1.5
57.07866	1.9
57.93121	1.6
61.32640	1.8
65.00171	1.8
70.60635	1.6
91.72792	2.6
96.95898	2.6
104.81680	2.6
107.04891	3.4
114.26326	2.1
120.01114	100.0
121.02789	3.3
140.07278	2.0
213.84415	2.2
229.08432	2.6
280.99030	2.3
301.32407	2.6
395.13025	6.0
423.12448	64.5
541.49744	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	588.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18373	1.5
91.53186	2.1
96.95873	3.5
106.35564	1.6
107.04886	5.7
120.01117	100.0
121.02823	6.1
125.18925	2.0
182.03638	2.2
186.63776	1.9
210.03197	2.7
211.03911	3.9
272.08490	2.4
306.07782	2.8
379.13251	2.1
395.12842	8.0
423.12433	64.9
467.11270	3.4
494.12811	1.9
542.99921	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	589.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96020	0.7
57.03305	1.7
59.01247	1.0
61.69459	0.5
65.97830	0.4
68.36511	0.4
71.01242	0.6
71.74989	0.4
73.02811	0.6
73.32848	0.4
79.95589	1.1
84.93736	0.4
96.93253	0.8
96.95868	66.5
97.02852	0.4
97.95804	2.6
97.96355	0.6
98.95450	34.7
98.96279	5.4
99.04379	2.1
99.92434	11.9
100.93228	3.8
101.02299	0.8
109.35880	0.4
114.94072	0.5
114.94742	2.9
115.91935	9.2
115.92704	0.7
116.89162	1.2
116.92721	100.0
117.92725	1.5
117.93491	0.5
125.02320	0.5
128.03394	0.9
138.98480	0.6
139.95610	1.2
140.96394	1.1
156.95905	0.5
158.93791	1.3
179.35803	0.5
179.54572	0.5
182.97470	2.4
183.94576	1.3
195.38940	0.5
226.78314	0.5
226.96468	6.3
243.96632	0.6
333.00775	1.2
380.26724	0.8
427.10489	1.2
491.24060	0.7
509.03732	0.7
553.13867	2.5
571.14880	1.0
589.16003	34.4
590.16003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4998
Annotation	1-palmitoyl-2-linoleoyl-sn-glycerol
Peak:m/z	Relative Intensity
78.95760	0.8
80.97504	0.7
131.82004	0.7
147.52853	0.7
255.23285	100.0
256.23560	2.5
270.08081	0.7
405.24548	0.7
524.89978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94507	1.6
53.53556	1.7
57.03036	2.0
57.03315	38.9
59.00968	2.8
59.01244	39.5
61.98694	100.0
71.01243	11.8
73.02806	18.2
80.71310	1.5
83.01241	5.1
85.02782	2.9
89.02291	11.2
92.13255	1.9
99.04380	58.5
101.02301	32.2
112.62071	1.9
113.02296	8.6
119.03365	5.0
123.04386	6.4
125.02322	32.6
129.62117	2.2
143.03397	4.6
149.04492	2.0
149.05910	2.4
161.04466	7.2
179.05565	3.0
205.12286	20.9
223.13370	2.8
284.81638	1.8
310.82635	1.7
427.19858	4.0
454.30014	2.0
485.23874	3.5
529.22949	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27878	0.5
74.37645	0.4
78.95761	3.5
79.95577	1.7
94.92339	0.8
96.92073	2.3
96.93071	1.3
96.95867	100.0
96.96760	5.3
96.98324	1.5
122.40411	0.5
129.35033	0.5
141.20982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45203	0.1
59.52024	0.1
62.10581	0.2
64.41711	0.2
77.03800	0.3
78.85105	0.2
79.18678	0.2
120.02041	1.9
120.98895	0.8
121.02820	100.0
121.06260	1.3
122.03169	1.3
136.01541	0.2
143.52643	0.2
165.00522	0.4
165.01833	4.4
180.05730	0.6
181.06500	2.3
197.06041	2.2
197.61517	0.2
197.82635	0.2
198.06274	0.2
199.07745	0.2
207.04500	0.9
207.08067	0.2
209.04500	47.2
209.12340	0.5
210.04854	0.8
212.17883	0.2
223.03928	0.4
225.05556	1.9
234.83662	0.2
256.08832	0.2
257.09665	0.2
285.09283	0.4
301.08630	0.4
313.07153	1.6
357.06003	0.9
373.11096	0.3
383.07675	1.0
401.08621	0.2
417.09689	1.2
505.11450	2.6
534.91077	0.2
549.10358	6.1
550.10553	0.3
592.86694	0.2
593.13062	9.0
594.13275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
56.08898	0.3
71.01242	0.6
71.24516	0.3
76.05794	0.3
76.73523	0.3
77.82173	0.3
78.31399	0.3
79.01768	0.4
83.01241	0.8
91.05386	0.4
93.03323	1.6
95.01248	0.4
96.95901	0.7
101.67100	0.4
101.86741	0.4
101.87342	0.4
107.01278	0.4
111.53691	0.3
112.50060	0.6
112.50805	0.8
117.03336	5.3
119.04905	1.4
124.52646	0.4
131.04910	0.5
133.06468	0.6
135.04388	2.7
145.02881	0.6
147.04472	1.1
149.02344	1.3
149.06007	0.8
156.27785	0.4
159.04448	1.0
161.02336	2.9
161.05984	0.8
163.03873	2.1
175.03938	2.4
177.01825	0.8
177.05457	2.0
179.03526	0.5
181.69229	0.3
187.03868	0.6
189.01891	1.2
189.05592	0.6
191.03439	1.6
195.90923	0.4
199.62021	0.3
201.05592	0.5
203.03464	1.7
205.05048	1.1
209.06125	0.4
211.07642	0.5
213.05655	0.4
215.03542	0.6
217.04959	0.4
219.02832	0.6
221.04550	0.9
224.08485	0.8
225.05617	0.6
233.04572	0.9
237.05540	0.8
238.06450	0.6
245.04582	0.7
251.07204	0.8
253.04964	0.5
253.08754	1.0
267.06665	1.2
268.07449	1.1
279.06613	0.7
281.04675	1.4
282.05334	2.3
283.06158	3.5
293.04660	0.5
293.08530	0.5
294.05347	0.6
295.06174	6.3
296.06873	3.5
297.07690	27.6
298.08017	0.9
305.04483	0.4
306.05429	0.4
307.06186	3.0
309.07687	3.2
311.05670	3.3
314.04343	0.4
322.04605	0.6
323.05704	4.1
324.06369	1.3
325.07190	10.9
328.05890	3.9
335.05643	1.6
337.07144	4.4
341.06259	0.5
349.07602	0.6
351.05057	0.8
353.06702	50.9
354.07254	1.7
355.08353	1.4
356.05478	1.4
365.06671	6.1
367.08154	0.5
379.08301	0.5
381.06177	0.6
383.07767	27.4
384.08258	0.7
393.03787	0.5
395.07761	3.6
397.09531	0.8
407.07498	0.7
413.08987	2.5
425.08722	1.0
433.99615	0.4
455.09653	1.0
457.68079	0.4
473.10867	13.5
474.11496	0.6
485.11023	0.7
503.11942	4.2
547.25537	0.4
575.14081	1.3
593.15192	100.0
594.15472	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36442	2.1
53.44219	1.9
53.62625	2.0
59.01261	2.4
78.95760	51.1
96.96828	9.6
106.45415	2.8
121.02880	3.4
124.67126	2.9
130.41344	2.6
149.08038	2.7
152.99475	98.0
171.00504	3.8
223.00079	9.7
241.01172	25.1
243.70184	3.0
268.53000	3.1
277.21716	51.5
311.61130	3.0
315.04855	17.0
593.27386	100.0
594.28052	6.4
604.86505	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	593.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05215	2.6
58.83374	2.7
60.29856	3.2
61.18230	2.5
69.13502	2.6
69.70432	2.9
70.02836	5.4
70.21802	2.9
71.04876	4.2
72.76339	2.9
78.95733	3.8
82.21858	3.0
86.70830	3.6
87.05518	3.5
95.38325	3.2
96.26321	2.8
101.84386	3.2
130.03204	6.4
141.49127	3.6
146.08136	36.2
148.61826	3.2
162.59663	3.7
215.63315	3.8
217.12006	7.9
255.23322	5.3
268.05923	3.8
277.12259	100.0
291.52075	3.7
295.23398	4.0
296.29510	12.1
297.27917	7.9
356.29898	10.6
383.41211	3.7
557.39618	10.0
593.37262	17.9
599.90234	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	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26798	0.6
54.64914	0.5
59.01231	2.0
59.54374	0.6
61.98663	1.4
69.98011	0.6
71.01243	1.3
90.35036	0.7
90.47395	1.6
90.47910	1.2
91.73384	1.4
96.95835	1.6
99.04383	0.8
100.01906	0.8
113.02365	0.8
135.04350	0.8
157.06435	1.5
159.04422	10.0
172.05345	0.9
173.05966	2.6
175.07520	2.9
181.06522	0.8
185.06081	0.9
197.05951	2.5
198.06776	1.0
199.07526	2.7
200.04648	0.8
201.05504	12.3
213.05511	1.1
215.07086	1.0
225.05492	4.9
228.04239	1.5
240.04260	2.5
241.05074	5.5
242.05925	1.2
243.06610	100.0
244.06914	2.2
268.03760	1.3
269.04605	5.3
387.10641	0.9
387.46576	0.9
392.58182	0.9
468.67227	0.9
469.77533	0.8
526.45880	0.9
547.80347	0.7
551.17615	4.2
577.15417	1.9
595.16754	67.1
596.17023	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	595.1676
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.90148	1.3
55.35435	1.2
57.31322	1.1
59.01243	1.2
59.31221	1.1
60.46143	1.2
64.59743	1.1
64.84450	1.1
69.03336	1.2
71.01241	3.1
73.02791	1.2
79.01752	2.0
81.03300	3.0
81.51047	1.3
81.80241	1.2
83.01234	4.1
92.10596	1.4
93.03316	6.8
95.01250	3.2
96.95896	2.1
97.02811	4.1
97.69124	1.5
107.01253	6.1
107.04921	2.2
109.02824	3.7
110.69353	1.4
111.00703	1.4
111.04388	2.5
113.02348	2.2
113.45203	1.5
117.03313	1.7
119.04891	45.9
121.02828	3.9
123.00746	3.3
123.04379	4.2
125.02306	10.9
133.02824	2.0
135.04388	3.2
137.02344	7.1
139.03865	7.7
143.04913	7.4
145.02840	9.1
147.04407	3.7
149.02315	5.4
151.00259	6.0
151.03929	1.9
159.04422	1.4
161.02364	1.3
161.05966	3.5
163.00284	4.3
163.03870	7.3
164.01071	1.9
165.01810	8.4
165.05449	1.5
167.03383	11.1
175.03995	1.4
177.01822	6.4
178.02553	1.5
179.03412	5.7
187.03915	7.7
191.03453	6.6
192.00525	1.8
193.01338	11.4
197.04500	2.5
199.07559	3.0
203.07085	2.1
205.01361	9.4
205.05009	1.6
207.02867	6.2
209.04510	6.0
214.38795	1.4
217.01498	1.8
219.02988	4.2
221.04483	1.3
223.02361	3.0
227.07167	3.7
231.03046	1.6
235.02441	20.9
239.05501	3.1
241.08586	2.4
243.06567	1.5
247.02533	2.8
249.04071	2.0
255.06924	1.4
261.04047	3.1
265.03540	6.8
267.06577	1.8
271.06094	4.8
271.72760	1.4
283.06210	2.8
313.07181	23.4
325.07162	7.3
327.55484	1.5
335.94254	1.9
343.08313	7.8
353.07376	1.5
355.08267	100.0
356.08743	2.8
367.08191	5.2
369.10104	1.8
385.09326	79.7
386.09741	1.9
397.09277	5.2
409.41525	1.4
415.10345	23.9
415.15463	2.2
427.10425	2.5
457.11264	10.2
475.12473	34.5
475.17996	1.2
487.12668	5.5
505.13696	8.6
572.88354	1.5
573.18292	1.6
577.15283	7.0
595.16766	94.8
596.17010	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	595.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60905	0.2
56.36662	0.3
57.03316	28.8
57.04430	0.6
59.01225	0.7
66.14709	0.4
70.36028	0.6
70.36360	0.3
81.03312	0.8
83.01244	0.4
83.09290	0.3
95.53973	0.3
96.95849	0.8
99.04373	20.3
99.06957	0.4
101.02302	8.4
125.02312	12.5
143.03368	0.5
161.04460	0.4
184.59262	0.6
184.60742	0.3
201.05492	0.5
211.03922	0.5
228.04218	6.5
229.05008	9.0
243.06606	31.1
243.16624	0.4
244.07362	6.3
258.05548	0.4
258.08914	0.5
259.06155	0.8
259.09775	0.6
274.08487	42.1
274.20337	0.6
275.09052	0.7
289.10825	100.0
289.23767	0.8
290.11163	2.0
290.76022	0.3
311.25381	0.3
315.26529	0.3
380.89835	0.4
403.14236	0.5
433.15195	1.7
433.20630	0.3
464.41324	0.3
595.20679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39630	1.9
57.03317	23.4
59.00996	2.6
59.01244	19.2
71.01243	6.2
72.02001	2.0
73.02796	11.6
80.91553	3.1
83.01243	2.6
89.02289	2.2
96.95878	2.4
99.04388	21.0
101.02283	14.5
105.71223	2.0
113.02335	5.5
115.06821	2.6
123.04358	6.9
124.31321	2.0
125.02325	12.5
139.03671	16.3
141.00281	2.0
141.01561	4.4
141.05420	2.7
152.24802	2.2
153.05231	10.0
161.04407	2.9
181.04750	10.9
183.02690	5.8
208.74431	2.4
225.03767	100.0
255.04784	14.8
285.05978	12.4
329.73611	3.2
331.20062	2.7
345.07922	2.9
451.18616	3.6
490.83395	2.3
513.23431	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	595.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14413	1.8
57.03315	22.4
59.01239	25.2
60.47231	1.6
71.01235	8.8
71.76659	1.6
73.02808	10.8
83.01253	4.4
89.02295	4.7
96.95869	1.9
99.04372	28.1
101.02309	21.4
113.02294	6.1
119.03416	2.4
119.69779	2.1
123.04401	6.1
125.02318	14.9
127.53806	2.0
129.14270	2.2
130.30881	1.9
139.03644	17.3
141.01605	5.5
143.03346	4.0
153.05258	16.3
159.08557	2.4
161.04451	8.0
165.01564	4.6
181.04768	17.2
183.02632	5.0
203.05586	2.8
218.06805	2.5
221.06615	2.6
225.03760	100.0
255.04849	17.5
285.05945	8.9
318.28690	2.0
327.06781	2.4
345.08109	3.2
451.18359	3.3
493.19717	2.6
513.23322	10.4
613.36499	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	595.2894
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.08854	1.7
54.16917	1.5
62.08140	1.9
71.86286	1.9
74.53090	2.1
75.00717	4.7
78.95760	48.3
78.96203	4.0
82.95275	5.6
91.72826	2.9
93.61039	1.9
96.95881	2.7
96.96847	8.2
98.95445	3.0
102.52643	1.9
152.99478	95.8
171.00583	2.4
192.95007	2.5
205.25826	2.4
223.00134	11.8
241.01144	30.7
279.23285	69.2
315.04849	14.5
595.28949	100.0
596.29041	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	596.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57254	4.0
51.62879	4.9
58.02830	8.2
61.98688	7.4
72.94855	4.7
74.02327	11.8
99.05481	5.7
107.03094	5.3
128.03404	33.1
129.17087	6.5
143.04501	38.9
160.00618	12.3
172.60837	6.3
179.04535	8.0
254.07820	16.5
272.08917	20.7
306.07657	100.0
321.07242	7.4
598.14801	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	597.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25052	1.7
107.04926	1.6
119.04931	1.6
121.02859	5.1
128.98412	1.5
226.06407	4.9
227.06914	1.6
247.98386	1.7
258.05405	2.1
277.30380	2.0
285.04550	2.7
346.05356	1.7
385.04257	2.4
421.10834	1.8
439.15741	6.9
449.10831	4.6
459.09119	3.9
461.13611	8.6
477.10251	75.5
478.10883	3.3
495.11221	16.2
537.12360	100.0
538.12787	6.7
539.10388	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	597.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01290	1.5
70.35270	1.7
107.04892	4.9
121.02818	4.7
136.01555	2.4
226.06310	1.8
285.04843	2.5
305.75461	1.8
359.05936	2.1
439.15567	4.0
449.10645	4.6
459.09198	7.1
461.13541	4.4
477.10211	71.1
478.10220	4.5
495.11304	16.5
509.09326	4.1
537.12323	100.0
538.12695	5.3
539.10095	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	597.183
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
51.47474	0.4
58.20690	1.1
58.20998	0.6
59.01234	1.3
64.08341	0.3
65.36354	0.2
71.01239	0.8
73.02792	0.4
77.82455	0.2
79.00807	0.3
79.05387	0.5
81.03313	15.2
81.75603	0.3
85.02811	0.8
93.03302	0.6
94.99511	0.3
96.52474	0.3
101.02341	0.5
101.42097	0.3
109.02832	0.7
113.02272	0.4
121.02817	5.3
122.03614	3.6
123.04387	100.0
123.08106	1.1
124.04735	1.4
136.00545	0.3
137.02292	0.6
147.04419	0.4
149.02319	0.9
159.04407	0.7
165.05449	0.4
166.02615	0.6
167.03409	0.4
179.48958	0.3
198.01604	0.5
199.44560	0.3
229.08749	0.7
243.06653	1.4
244.07019	0.7
245.08180	24.7
246.08423	0.5
269.04553	0.3
271.06134	2.2
289.07230	0.8
371.57990	0.3
407.13416	0.6
412.59601	1.3
431.11081	0.4
475.14218	0.3
553.19244	3.0
579.16687	1.8
597.18323	65.7
598.18518	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	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21777	0.4
54.78587	0.3
57.03292	0.6
59.01216	0.9
62.62706	0.3
67.01723	0.6
68.99635	1.3
69.03279	0.7
71.01247	2.3
73.02768	0.9
81.03315	6.1
81.29497	0.4
83.01244	6.8
85.02763	1.2
87.00713	0.4
89.02210	0.4
92.90987	0.7
92.91592	0.8
93.03312	5.4
93.16423	0.5
95.01248	1.9
95.04888	5.4
97.02804	4.6
99.00645	0.4
99.04375	3.3
101.02263	0.4
104.12463	0.4
107.01189	0.4
107.04879	2.4
108.02007	0.9
109.02803	2.7
109.06408	0.8
111.00675	0.6
111.04381	2.4
113.02258	1.5
119.04894	8.6
121.02831	3.5
121.06445	1.8
122.03545	0.7
123.04382	16.8
124.01534	0.5
125.02313	12.9
125.05963	0.7
133.06445	0.8
133.89336	0.4
135.04393	5.1
136.05106	0.4
137.02299	6.2
137.05959	8.0
138.02905	0.4
139.03891	11.1
141.01842	0.4
141.05429	0.6
145.02777	0.5
145.06427	0.7
147.04413	3.3
149.02286	1.8
149.05991	1.9
151.02820	0.4
151.03903	4.3
151.07472	0.9
153.05380	1.3
155.03326	1.2
159.04356	0.8
161.02278	0.5
161.05910	1.7
163.03903	4.0
163.07500	1.7
164.04593	1.2
165.01828	2.2
165.05460	8.3
166.02544	1.4
167.03403	30.8
173.05994	0.5
175.03763	0.4
177.01753	1.0
177.05466	3.4
178.02573	0.8
179.03409	9.3
179.06973	1.5
180.04175	1.2
181.04976	3.5
189.03790	0.7
189.05498	9.9
191.03471	2.3
191.07050	0.7
192.04062	0.5
193.01254	0.6
193.04968	5.0
197.04492	5.3
201.05516	0.5
203.03505	0.7
205.01241	0.6
205.04913	1.4
207.02847	0.8
207.06477	1.8
209.04504	29.1
219.02907	1.6
219.06424	0.6
220.03717	0.9
221.04498	6.0
223.06001	1.3
227.05653	0.5
229.08635	1.5
231.06647	0.6
233.04497	2.0
235.06038	1.2
239.05583	11.4
247.06219	0.6
249.03996	0.6
251.05577	5.6
255.06480	0.5
263.05536	1.8
265.07074	0.5
269.06546	2.9
273.07721	4.4
275.05518	0.6
281.06540	1.3
285.07617	1.8
286.08139	0.5
293.06604	0.7
299.09183	0.6
313.10703	0.5
315.08789	19.4
316.09122	0.5
327.08734	9.8
339.08994	0.6
341.10156	1.4
345.09796	7.3
354.07651	0.5
355.08124	0.6
357.09814	100.0
358.10208	1.8
369.09763	4.2
371.11450	1.1
381.09775	0.6
387.10889	77.3
388.11414	1.0
397.28006	0.4
399.10822	3.7
417.11972	23.8
418.12363	0.5
429.11954	2.3
441.11896	1.5
447.12823	0.5
459.13037	10.2
471.13266	0.6
477.14035	16.4
478.14713	0.8
489.14047	6.3
507.15216	3.4
561.16211	0.6
579.17188	1.5
597.18243	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	597.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39658	0.9
59.01246	20.2
61.98698	2.7
63.17542	1.3
66.35727	1.1
71.01245	4.1
73.02792	1.5
82.93195	1.3
82.95268	59.9
89.02309	3.3
101.02311	6.9
113.02285	2.3
136.51274	1.4
161.04489	1.5
181.01768	1.5
228.79565	1.4
231.67818	1.4
253.09291	22.1
257.22644	7.7
279.68616	1.5
301.21732	100.0
302.21985	3.2
339.64044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64098	0.8
51.76654	0.7
59.01244	31.9
60.82978	0.7
61.98694	4.5
70.40089	0.8
71.01237	5.1
71.80534	0.8
73.02801	0.9
82.95276	7.2
83.01255	0.9
84.94970	1.2
87.00737	1.1
89.02278	4.3
93.62754	0.8
93.94279	0.8
101.02286	4.9
113.02307	2.3
119.03342	1.7
137.55632	0.9
141.36694	0.8
161.04536	1.5
179.05527	0.9
203.17964	1.1
235.08266	1.0
253.09280	24.2
257.22745	9.8
301.21750	100.0
302.22037	2.8
389.84988	1.0
534.98547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33327	0.6
80.33486	0.7
80.77980	0.7
81.02912	0.9
81.03323	12.9
83.04878	38.7
87.54521	0.7
96.95889	1.3
100.07539	4.6
126.05500	0.9
128.03384	0.9
128.30592	0.7
134.63925	0.7
134.89342	8.9
152.91583	1.0
195.27591	0.7
198.99872	0.7
199.18065	8.4
206.92639	1.1
211.14870	0.9
224.17528	0.8
225.15991	9.0
226.64517	0.8
243.17136	19.5
269.15170	1.2
285.04034	6.7
286.04163	0.8
309.21982	1.6
340.99863	1.1
353.20813	6.7
451.32739	1.8
461.07602	2.3
469.34024	15.6
535.38525	0.9
579.37830	4.0
597.38727	100.0
598.30090	1.1
598.39056	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25772	0.7
63.22459	0.6
67.53423	0.7
69.64063	0.7
72.99164	31.1
75.00729	27.3
77.71062	0.7
100.16311	0.9
100.16852	0.8
107.91758	0.8
183.01161	1.7
211.20599	2.1
219.00459	0.8
221.79509	0.8
241.21693	2.0
245.80583	1.0
287.22284	100.0
288.22571	1.3
325.18582	4.9
385.22107	1.3
597.35303	2.9
597.43530	62.9
598.43060	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75412	2.7
58.02839	11.8
71.28007	3.0
74.02338	23.8
78.53542	3.5
82.02859	3.8
82.09596	3.4
86.02338	11.6
87.05519	4.6
91.76611	3.8
94.06560	3.7
94.85130	3.5
99.05492	26.5
102.05475	9.0
109.03970	4.5
128.03410	65.7
135.05563	5.6
143.04503	96.5
146.04497	8.0
146.39275	4.4
153.06595	5.3
166.09850	5.6
172.40581	3.9
179.04590	19.9
210.08842	20.9
245.64461	4.5
251.52052	4.5
254.07841	46.9
272.08902	100.0
299.60083	3.9
326.75565	4.7
415.09140	4.7
560.29095	5.3
598.27844	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46330	1.3
55.05186	0.6
58.02848	6.3
60.69979	0.6
66.03338	0.9
72.00771	1.3
74.01947	1.1
74.02335	15.8
81.04438	1.6
82.02836	1.6
84.04379	0.8
86.02330	7.5
86.05970	0.8
86.98957	2.2
87.05491	3.4
90.00036	1.8
97.03943	1.6
99.05503	16.5
101.07054	3.0
101.07694	0.6
102.05457	2.2
107.06039	1.0
109.03941	2.6
109.07574	0.9
110.05949	0.6
111.05464	1.6
112.03907	2.8
116.01627	1.0
120.01147	1.2
123.05502	1.7
124.03874	1.2
125.03442	2.0
126.01855	0.6
127.05063	3.5
127.99625	0.9
128.03410	46.3
129.99475	0.7
135.05490	4.8
137.07152	0.9
141.06567	4.7
143.00034	1.1
143.04510	65.7
145.06067	2.7
146.04477	6.5
153.06583	5.2
160.00629	18.7
166.09738	2.9
167.04526	4.7
167.08138	2.5
171.07553	0.9
177.03323	6.9
179.04524	14.8
181.06087	1.6
184.10779	1.0
185.05638	2.2
188.94496	0.7
192.07684	1.5
197.05655	3.0
198.08904	1.1
210.08781	11.9
213.03456	0.7
242.07829	1.6
254.07820	18.4
272.08896	33.7
288.06619	10.9
306.07672	100.0
307.07858	1.6
318.25253	0.8
364.26611	0.8
401.66287	0.8
427.39072	0.7
571.42670	0.7
598.28326	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	599.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49320	0.1
59.01237	0.6
65.66622	0.2
73.02782	0.2
79.95577	1.8
81.06758	0.2
83.88825	0.2
91.73286	0.3
96.31538	0.2
96.93396	1.5
96.95866	100.0
96.98635	1.0
99.04353	0.4
101.99361	0.2
113.02302	0.3
114.93257	0.5
130.94299	0.2
160.87816	0.2
224.97012	0.2
269.04590	0.8
501.19681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31871	1.5
55.08208	1.5
59.01250	2.9
72.82121	1.6
74.47393	1.6
78.95782	2.9
79.05394	4.6
81.03333	8.3
83.04887	14.1
88.64282	2.2
90.03117	1.7
91.73354	2.6
96.95888	2.2
97.06497	2.0
103.03927	1.7
107.04878	32.2
109.02845	2.3
121.02815	16.9
121.91634	2.0
122.03586	14.8
124.07447	1.7
125.05954	33.7
140.69809	1.8
150.03152	7.8
151.03946	6.8
151.49365	1.8
169.04958	22.2
182.02173	5.9
217.63419	1.9
227.07106	2.7
229.08664	62.1
251.55339	2.2
273.07697	8.7
510.91016	1.9
537.19641	3.1
555.19904	2.3
581.18811	100.0
582.19409	5.5
599.19739	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	599.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72238	0.7
59.01242	25.1
61.48011	0.9
61.52314	0.8
64.21458	0.8
65.58904	0.9
68.97878	0.8
71.01236	2.9
80.25087	0.8
80.40522	0.8
89.02294	3.6
91.73369	1.0
97.72639	1.0
101.02309	3.5
113.02319	2.0
137.99654	0.9
161.04416	2.0
206.06114	0.8
253.06842	0.8
253.09276	17.6
259.24353	3.4
303.23309	100.0
304.23862	2.0
351.11703	1.2
412.23700	1.1
555.58344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60535	0.2
59.01238	0.2
61.97252	1.0
61.98692	100.0
61.99964	1.9
68.04532	0.2
91.49445	0.1
96.95888	0.6
108.02011	0.2
123.04346	0.3
139.72438	0.2
177.79851	0.2
229.08670	0.4
230.09213	0.3
231.09299	0.2
349.49014	0.2
538.20142	0.2
539.20428	0.4
540.21167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36804	0.3
55.37873	0.4
59.01249	0.8
61.97422	1.8
61.98694	100.0
62.00122	0.9
76.87427	0.4
114.31403	0.5
115.02682	0.5
118.96833	0.8
160.01628	0.8
167.59531	0.6
277.21765	0.6
406.98895	0.5
465.97092	0.5
472.27963	2.2
563.32465	1.0
564.32678	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	600.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	32.8
61.77492	0.6
66.00671	0.5
78.95757	11.4
79.25473	0.6
97.62511	1.0
97.63074	0.7
117.07007	0.7
148.76959	0.7
152.99487	3.3
160.84010	0.8
168.04192	3.8
175.99899	0.7
189.94905	0.8
203.17984	2.5
223.16992	0.8
224.06953	1.7
242.07973	6.0
257.22760	14.0
257.26978	0.8
279.48727	0.9
286.55887	0.8
301.21738	100.0
302.22021	2.4
526.29413	45.7
527.29596	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	600.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89022	0.8
53.42050	0.7
59.01239	38.3
59.76665	0.7
61.98701	1.5
78.95757	40.4
86.66111	0.8
91.98292	0.9
97.62466	0.9
103.55534	0.8
105.53838	0.9
109.84319	0.9
111.88667	0.9
116.23092	0.8
152.99504	8.1
160.83989	1.0
168.04218	7.5
172.09964	1.0
177.09087	1.1
203.18036	2.5
223.16997	1.3
224.06886	19.7
242.07886	6.1
257.22720	12.5
301.21732	76.2
302.21985	2.8
382.34564	1.0
422.35294	1.1
470.03720	1.0
484.68158	1.0
526.29388	100.0
527.29694	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	601.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34610	0.3
59.01237	0.4
59.19046	0.3
60.59693	0.3
61.91124	0.2
78.93739	0.7
78.95759	47.0
78.97551	0.8
85.27480	0.3
87.46008	0.3
88.06267	0.3
89.02305	0.5
91.75418	0.3
96.94064	1.0
96.95936	3.5
96.96818	100.0
96.99286	1.6
101.02292	0.5
104.81700	0.3
138.97896	3.5
161.47240	0.3
162.21182	0.3
168.98973	2.0
199.00050	2.7
259.02249	36.2
503.15637	0.9
583.13788	0.4
601.13940	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	601.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37037	0.8
55.01730	0.8
57.03316	41.2
57.04403	0.8
58.00445	0.8
58.58918	0.8
58.99917	1.5
59.01242	100.0
59.02391	1.7
59.45553	0.9
61.77222	0.8
69.03303	1.1
70.02818	2.7
71.01238	40.9
71.02850	0.9
72.00755	4.4
72.99146	1.4
73.02803	47.4
75.00733	1.0
79.05378	2.9
81.03299	2.3
83.01236	13.9
85.02798	6.3
87.00719	0.9
89.01754	2.1
89.02294	32.2
92.23493	0.9
95.01221	2.6
96.00766	8.8
97.02810	2.1
97.03910	1.6
97.06465	2.4
99.04378	40.6
101.02303	63.6
107.04852	0.9
108.02026	1.6
113.01548	1.6
113.02302	20.1
113.03488	1.3
113.05974	5.3
114.01836	4.2
119.03362	13.6
121.02825	1.1
123.04400	13.2
125.02316	11.9
125.13780	1.5
131.03358	3.5
141.05441	5.4
143.03391	5.3
149.04437	3.2
151.03828	1.2
153.05461	1.2
161.04453	11.3
162.12770	1.1
179.05516	3.2
211.41022	1.1
213.09161	1.5
216.13812	3.4
221.06578	2.1
252.32205	1.1
257.08148	2.8
260.12891	2.6
275.09235	2.8
277.15540	3.0
372.92471	1.1
395.21851	2.5
413.22726	1.9
439.20969	1.6
455.24158	1.9
457.21939	54.9
458.21967	1.4
499.22964	35.6
514.26569	5.1
539.26093	10.8
557.27264	16.2
601.26184	89.9
602.26990	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	602.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	23.7
59.01501	1.6
65.59062	0.9
71.19869	1.2
78.95767	8.7
79.07874	0.9
86.02564	1.2
94.82727	1.1
152.99492	2.7
168.04300	2.6
219.11536	1.1
224.06931	1.7
242.07915	5.2
259.24457	3.8
303.09235	1.4
303.23300	100.0
304.23642	2.7
391.47006	1.3
401.56165	1.3
488.55887	1.4
528.30908	43.9
537.77594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77195	1.5
52.29600	1.4
52.97171	1.5
54.58650	1.4
59.00964	2.7
59.01243	32.9
60.94418	1.5
61.98691	2.2
63.94836	1.5
68.68832	1.6
78.95760	29.8
87.94000	1.5
89.03194	1.5
126.63773	2.0
136.18112	1.8
152.99510	6.0
168.04207	7.5
174.05495	1.8
194.95326	2.0
224.06894	15.2
242.07878	2.5
259.24344	6.5
303.23303	90.2
437.91202	1.8
528.30951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13850	0.4
59.01231	0.7
71.01235	1.1
85.39151	0.5
89.02277	1.2
93.03299	1.2
95.84791	0.5
105.39542	0.5
108.02022	0.8
119.04889	0.5
121.02814	3.6
181.06522	1.6
183.08058	0.6
194.07280	1.9
195.08122	3.1
197.05991	0.8
198.06830	0.9
207.08083	1.5
209.06010	2.3
210.06819	3.2
211.07460	0.7
212.08408	1.7
223.07614	1.1
224.08395	0.9
242.05896	1.1
244.07401	1.0
299.10773	5.8
317.11716	2.9
356.03635	0.8
405.14999	5.5
423.16064	100.0
424.16321	4.9
445.14206	1.0
459.09433	0.7
460.10052	1.6
461.10818	1.2
479.11905	2.0
492.08640	1.4
505.15366	0.6
521.12775	10.6
522.13580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	60.4
67.61968	2.2
69.04855	2.9
70.70080	2.4
71.01234	42.9
72.99136	2.7
76.76511	2.8
77.98831	2.6
85.02820	3.3
89.02293	70.9
101.02294	11.3
113.02309	11.6
119.03378	8.5
119.71819	3.6
121.02831	12.7
143.03365	5.9
153.32661	2.9
161.04434	4.0
179.05545	12.7
200.34961	2.8
209.06003	4.0
210.06808	6.6
225.05542	4.3
226.06441	7.0
226.60471	3.1
272.07571	2.8
273.73160	2.9
293.18210	3.1
358.50369	3.1
382.22040	3.3
423.16058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0751
Annotation	UDP-GalNAc
Peak:m/z	Relative Intensity
53.69440	0.2
57.25146	0.2
59.01242	0.8
62.96268	0.9
78.93827	1.5
78.95760	100.0
78.97439	1.1
79.97945	0.2
96.95861	0.5
96.96819	16.5
111.01865	10.5
115.35542	0.2
115.51133	0.3
119.98430	1.4
120.96810	0.3
124.29455	0.2
136.96371	0.3
138.97937	0.5
146.98415	0.6
150.97903	0.7
158.92435	45.4
161.99515	0.9
162.97929	1.1
166.33411	0.3
174.97946	2.9
176.93497	8.3
192.99017	0.8
193.33238	0.8
201.02486	0.4
211.00114	0.7
222.01669	0.7
236.68015	0.2
240.02765	1.3
246.01617	0.5
260.95688	1.8
264.02829	0.9
272.95721	14.7
282.03854	15.8
283.16309	0.3
300.04868	2.0
305.01767	2.2
323.02841	4.8
337.79538	0.3
343.99475	0.5
362.00543	6.2
369.65332	0.3
384.98471	17.8
402.99515	6.3
494.04407	0.4
508.09567	0.6
606.07501	42.0
607.07806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06585	1.7
59.01234	11.2
63.06183	1.7
68.85950	1.6
69.58546	1.7
71.01237	12.4
72.99166	2.2
75.00735	5.0
78.32556	1.9
85.02805	24.2
86.02338	2.4
87.00726	4.4
89.02303	2.2
95.01231	6.3
96.95873	3.0
99.00734	6.8
103.00214	3.6
104.96391	2.1
113.02308	49.3
115.95779	2.1
117.01769	2.7
126.13409	1.9
128.03398	3.5
145.69788	2.0
151.00314	3.6
175.02417	14.5
184.26575	2.0
239.03571	2.4
240.04330	3.9
249.05487	2.8
268.03790	94.1
268.06677	4.5
269.04568	100.0
270.66452	2.4
311.05704	3.7
431.09869	47.1
445.07733	3.7
607.13055	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	607.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71464	0.2
54.14161	0.2
57.03305	0.6
57.56219	0.3
58.00447	0.3
58.87787	0.2
59.01242	10.0
59.02410	0.2
63.02252	1.9
65.00171	1.0
68.99679	0.3
70.34607	0.2
71.01239	7.5
72.99163	2.1
73.02808	1.3
75.00729	16.6
75.02414	0.2
79.63527	0.2
81.03317	0.2
83.01226	1.0
85.02803	8.9
87.00720	1.3
89.02296	6.3
89.02843	0.4
93.03297	0.4
95.01240	1.3
99.00734	14.1
101.02301	4.8
107.01248	2.0
111.00739	1.3
113.02304	15.0
113.05369	0.2
115.00230	0.3
117.03325	5.4
119.03357	2.7
129.01808	5.9
131.03362	0.6
133.02832	0.2
135.04398	0.5
135.67313	0.2
137.02252	0.2
139.00261	2.5
140.77438	0.2
141.01877	0.2
143.03383	0.4
148.01549	0.2
149.02324	1.5
149.04372	0.3
151.00247	1.3
155.04974	0.2
157.01329	2.8
157.06506	0.2
159.04405	2.2
161.02359	1.5
161.04433	1.1
169.06490	0.9
175.02399	0.3
179.05530	2.8
180.05678	0.2
181.06444	0.6
183.04398	0.8
193.01323	0.4
195.04306	0.3
196.05254	0.5
197.06056	0.9
201.05531	0.9
221.06625	5.0
224.04645	0.6
225.05515	1.9
227.03429	0.8
246.42108	0.2
247.08214	0.2
252.04308	0.4
253.05028	0.4
267.02695	0.2
268.03769	8.9
269.04562	100.0
269.15900	1.0
270.04910	2.2
279.07324	1.6
281.04541	0.5
311.05618	9.3
312.05859	0.3
335.66751	0.2
337.07751	2.6
383.07736	22.7
384.08063	0.6
410.18594	0.2
427.06747	1.6
503.51410	0.2
607.13141	1.5
639.76599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84755	0.2
57.03309	0.5
59.01247	2.8
63.02251	1.8
65.00194	0.6
65.02002	0.3
67.01755	0.3
67.96321	0.2
68.75512	0.2
69.05164	0.2
71.01238	1.8
72.99163	2.2
73.02808	1.5
73.03152	0.2
75.00721	2.0
83.01225	0.5
85.02802	3.7
87.00740	2.1
87.26793	0.2
89.02291	1.7
91.73254	0.4
95.01220	0.5
96.95860	0.3
99.00739	2.1
101.02326	1.4
105.03324	0.4
107.01254	1.6
111.00766	0.5
113.02309	5.8
117.03325	4.1
117.76373	0.2
119.03367	0.9
121.02834	0.4
128.03407	0.3
129.01813	6.9
139.00250	0.7
149.02313	1.1
151.00284	0.6
157.01241	0.3
157.06374	0.3
159.04477	1.5
161.02322	1.1
169.06490	0.6
179.05533	1.6
180.05630	0.3
181.06485	0.4
183.04420	0.5
196.05276	0.3
197.06039	0.6
201.05540	0.5
219.97604	0.3
221.06648	0.6
225.05566	1.0
227.03450	0.5
249.05479	0.3
253.05273	0.3
256.69928	0.3
268.03787	2.6
269.04565	100.0
269.15460	0.9
270.04892	2.1
286.66217	0.3
337.07672	2.7
365.06497	1.2
545.13062	0.7
546.87207	0.4
607.13013	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	607.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03865	3.5
62.13796	2.9
62.33009	2.9
66.30291	3.2
71.04877	4.9
83.62160	3.4
105.89624	3.5
125.57143	3.6
130.03249	4.3
137.73192	3.8
146.08113	49.0
171.38437	3.8
217.11829	11.8
277.12277	100.0
310.31015	5.2
311.29343	5.1
440.49777	5.0
607.39600	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08988	6.2
59.01234	26.0
71.01241	23.6
72.42838	8.2
87.00717	46.2
88.93571	7.4
89.02287	27.4
94.90108	7.4
101.02309	19.5
101.66420	8.0
103.53819	7.4
106.90358	7.7
113.02326	27.0
140.20146	9.3
161.04445	18.9
179.05571	16.3
217.59785	9.0
249.18610	98.4
260.58884	11.0
263.20059	15.5
291.19592	14.3
323.09866	35.1
335.28464	9.2
341.10965	100.0
395.53479	11.7
447.21701	19.1
573.29285	41.8
609.26801	41.3
609.36627	10.6
622.43866	11.2
622.53174	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	609.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47007	0.1
53.93096	0.1
57.88742	0.1
59.01237	0.9
71.01241	0.2
81.23336	0.1
83.04910	0.2
91.72839	0.2
112.45655	0.1
127.07505	0.2
158.99409	0.2
162.12247	0.1
233.22711	0.4
259.20688	0.6
275.20233	0.2
277.09268	0.8
277.21738	100.0
278.22098	3.4
302.50626	0.2
355.11142	0.2
374.98694	0.2
405.89346	0.2
573.08362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60852	0.6
59.00974	1.2
59.01244	16.6
63.84144	0.6
69.89756	0.6
72.46110	0.6
78.25724	0.7
78.95766	16.5
88.85401	0.7
94.87491	0.6
95.43098	0.6
100.28630	1.2
100.29173	0.9
152.98326	0.7
152.99484	3.2
167.33305	0.7
168.04266	4.9
224.06897	8.4
242.07962	2.7
311.29581	100.0
312.29892	1.7
536.37268	72.1
537.37720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74716	62.0
53.91969	57.0
61.49705	60.1
64.96306	65.2
66.50038	56.9
71.66169	56.9
84.00355	58.3
96.95898	81.3
97.77985	70.5
101.11914	71.0
162.65981	68.7
175.13515	77.2
196.26862	77.3
201.18169	88.0
545.80298	89.2
564.41058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.145
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
50.46337	1.1
53.03574	0.6
56.08894	0.6
58.02630	0.6
58.02840	6.2
63.91355	0.6
69.78683	0.7
70.44164	0.7
72.00757	1.2
74.00585	1.1
74.02332	14.2
78.95776	1.2
81.04388	0.8
82.02834	2.4
83.47108	0.7
85.42881	0.7
86.02336	6.3
86.05962	2.6
86.98934	1.2
87.05502	3.9
90.00060	1.1
93.79980	0.7
97.03938	3.0
99.05504	13.5
100.00294	1.3
101.07096	1.6
102.05479	2.3
104.03387	1.2
105.99550	1.3
107.05981	0.9
109.03943	2.5
109.07578	1.0
111.05513	1.0
112.03889	2.4
112.89487	0.8
113.03452	0.8
120.80687	0.7
123.05532	1.5
124.03938	1.5
125.03427	1.8
127.05013	3.2
128.03407	44.0
135.05518	3.3
137.07129	0.9
141.02940	0.8
141.06572	2.8
143.04506	53.2
145.06090	3.0
146.04477	4.9
153.06560	5.6
160.00632	11.7
166.09807	2.5
167.04495	4.4
169.06081	1.4
175.01703	2.6
177.03333	3.1
179.04529	12.8
181.06125	1.7
185.05608	1.9
190.20047	0.9
192.07597	1.0
197.05618	3.3
210.08804	12.6
228.10011	0.9
228.56561	0.9
235.55104	1.0
242.08022	1.4
254.07819	10.4
269.05304	1.7
269.07925	1.1
272.05975	1.6
272.08899	30.4
288.06570	5.9
304.06091	10.3
306.07666	100.0
307.08127	1.9
338.04892	9.5
482.10736	1.2
611.14539	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	611.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09907	0.8
55.82351	1.4
56.21869	0.7
57.03310	1.4
59.01243	1.8
62.70567	0.8
68.99693	1.1
69.03308	1.5
71.01239	2.2
73.02797	1.3
81.03313	12.0
83.01239	11.7
83.01692	1.0
85.02823	1.8
93.03331	1.6
95.01249	4.2
95.04883	6.2
97.02822	9.7
99.04383	6.5
107.04894	1.9
108.01955	1.0
109.02846	4.5
111.04398	4.1
113.02324	3.3
117.03336	3.9
119.04896	0.9
121.02805	5.8
123.04387	29.3
125.02319	34.0
125.05937	1.8
135.04405	3.8
137.02341	9.9
137.06010	4.3
138.03107	1.2
139.03903	5.0
147.04370	2.3
149.02394	2.0
149.05934	1.2
151.03923	5.9
153.01849	0.9
153.05521	4.6
155.03413	1.4
163.00394	1.2
163.03908	2.1
164.01071	1.0
165.01834	1.7
165.05469	3.9
166.02620	1.1
167.03403	53.7
168.03793	1.0
177.05499	1.5
179.03386	14.3
181.04890	1.9
191.03462	4.2
193.04980	2.8
197.04491	14.2
200.82425	0.9
207.02849	1.2
209.04504	100.0
210.04913	1.9
211.06087	1.0
221.04538	5.8
233.04648	1.7
235.02544	1.8
239.05592	73.8
251.05731	4.9
265.26321	1.0
269.06686	34.8
277.03452	1.9
281.06671	4.0
293.06903	1.2
293.49460	0.9
299.07678	1.2
311.07755	6.1
313.66391	0.9
329.08908	17.6
341.09018	5.8
359.09863	5.6
370.34610	0.9
371.07730	35.6
372.08041	1.4
383.07764	2.1
401.08798	26.1
431.09814	7.2
434.50885	0.9
449.13162	6.1
473.10858	6.1
491.11978	17.6
503.12054	2.9
521.13068	2.1
611.16199	11.2
631.25427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16160	1.4
54.06418	1.3
61.40073	1.4
67.10008	1.5
71.01229	2.7
77.34360	1.6
81.03321	3.1
83.01250	5.9
93.03322	2.6
95.01245	2.9
95.04915	1.8
96.95868	2.6
97.02798	5.4
107.01243	14.3
107.04856	2.3
109.02804	9.3
111.04403	1.9
121.02860	4.2
123.00751	2.5
123.04367	5.1
125.02319	11.4
135.00858	1.9
135.04398	100.0
137.02336	8.6
139.03929	5.9
145.02808	2.6
149.02324	6.2
151.00269	9.4
151.03905	2.9
159.04410	2.8
161.02350	6.3
163.00272	5.0
163.03908	4.0
163.13467	1.9
163.88300	1.8
165.01823	9.5
167.03403	14.0
177.01849	5.2
179.03342	5.7
191.03441	5.3
193.01340	20.5
193.05067	2.3
197.04361	3.7
203.03397	4.0
205.01347	11.0
207.02953	6.7
209.04457	10.3
219.03040	4.0
223.02440	10.2
235.02467	42.0
237.04088	2.2
239.05661	4.6
251.05659	2.0
261.04102	2.5
265.03534	27.5
277.03589	4.4
295.04568	8.1
329.06708	5.8
341.06915	2.5
371.07739	91.7
372.07990	2.7
401.08804	69.0
402.09045	2.0
413.08804	5.1
431.09891	28.0
443.09808	4.2
473.10938	10.3
475.53152	2.1
491.11914	39.2
503.12161	5.6
521.12744	9.8
593.15442	3.6
600.83844	2.3
608.82831	2.0
611.16132	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	611.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55014	0.1
55.48115	0.1
55.94705	0.1
57.03322	0.9
57.04084	0.1
58.34804	0.1
59.01240	0.7
61.98668	0.1
70.66827	0.1
71.01224	0.3
73.02798	0.4
78.95773	0.2
79.95593	1.8
80.19481	0.1
83.01241	0.2
89.02316	0.1
96.93549	1.2
96.95867	100.0
96.98536	1.2
97.95780	0.1
99.04377	1.2
101.02307	0.7
113.02290	0.2
114.93285	0.6
118.96523	0.2
123.04415	0.2
125.02316	0.4
143.03384	0.1
149.04518	0.1
160.97476	0.1
161.04466	0.2
217.00278	0.2
241.01144	0.1
243.10277	0.3
309.23727	0.1
380.09430	0.1
513.23236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97451	0.1
57.03316	1.4
59.01242	1.1
71.01225	0.5
71.35668	0.1
72.97358	0.1
73.02795	0.4
73.87933	0.1
79.95592	1.8
89.02310	0.1
91.72836	0.2
93.66542	0.1
95.89093	0.1
96.93047	0.9
96.95867	100.0
96.98338	1.5
99.04375	1.2
101.02317	1.0
113.02316	0.2
114.93276	0.3
118.96497	0.3
119.03342	0.2
123.04378	0.3
125.02296	0.5
160.97610	0.3
161.04440	0.3
163.63829	0.1
217.00238	0.5
241.01262	0.2
259.01755	0.2
263.47565	0.2
423.16354	0.3
424.16409	0.4
513.23529	1.2
551.25909	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	611.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
58.46538	0.2
59.01239	1.6
62.12592	0.2
68.88103	0.2
71.01235	0.6
73.02801	0.7
78.95754	0.6
79.95586	1.8
83.01227	0.3
85.02820	0.2
89.02268	0.4
93.30022	0.2
96.93078	0.9
96.95869	100.0
96.98341	1.4
98.36460	0.2
99.04385	1.7
100.69955	0.2
101.02309	1.1
113.02315	0.5
114.93273	0.4
119.03326	0.3
123.04371	0.7
125.02314	0.9
128.03375	0.2
141.05598	0.2
143.03333	0.3
161.04431	0.6
217.00310	0.3
323.10144	0.3
393.55692	0.2
394.18753	0.2
513.23370	0.7
615.53333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.1
59.01234	1.3
59.95591	0.6
61.98688	4.2
66.34294	0.5
67.01745	0.6
68.37308	0.6
69.03300	1.6
71.01221	1.6
72.77343	0.5
73.02798	0.7
78.78340	0.5
81.03310	8.4
83.01239	8.1
85.02792	1.9
93.03310	2.4
95.01244	1.9
95.04887	4.4
96.91396	1.0
97.02798	4.4
99.04375	2.9
107.01227	0.8
107.04881	2.1
108.02038	0.9
109.02118	0.8
109.02819	12.0
109.06453	0.7
111.00762	1.3
111.04378	3.3
113.02305	2.1
116.33433	0.5
119.04897	1.8
121.02826	7.0
121.06433	1.3
123.00749	0.8
123.04385	18.1
125.02316	15.7
125.03235	0.9
128.03401	0.7
133.06421	0.9
135.04388	15.7
137.02330	7.4
137.05968	6.0
139.02901	1.0
139.03886	9.8
141.05464	1.4
145.02837	1.0
145.32864	0.5
147.04413	2.3
149.02391	1.6
149.05945	2.0
151.03909	4.3
153.05470	1.8
155.03412	2.1
161.05939	1.5
163.03897	5.1
164.04645	1.3
165.01826	2.7
165.05489	5.8
167.03401	39.5
167.09296	0.6
168.27686	0.6
173.05928	0.8
175.03928	0.9
177.05524	2.9
179.03415	9.7
179.07050	1.0
180.04111	1.4
181.04996	2.9
187.03958	1.0
189.05518	1.9
190.94943	0.5
191.03363	3.1
193.04941	4.5
197.04498	7.6
203.07005	0.7
205.01334	0.7
205.04944	1.7
206.02362	0.8
207.02853	1.0
207.06647	2.0
209.04498	46.9
217.05148	0.8
219.03040	0.8
219.06427	0.8
221.04518	9.6
223.06050	2.2
233.04572	2.9
235.06137	2.2
239.05577	17.7
245.04630	1.0
245.08202	1.1
247.06010	0.8
248.03261	0.8
251.05583	22.4
255.19669	0.6
263.05655	4.9
269.06540	3.5
275.05646	1.5
281.06693	8.6
289.07108	1.7
293.06693	2.4
301.07275	0.8
305.06790	1.3
311.07684	2.3
313.07318	0.8
331.08234	9.1
343.08237	3.7
355.08243	1.7
361.09338	4.4
371.07806	0.9
373.09299	100.0
374.09500	3.4
385.09271	3.6
397.09296	0.9
403.10361	64.5
404.10669	1.7
415.10339	4.0
433.11404	21.1
434.11786	0.8
445.05695	0.6
445.11472	1.6
457.11484	1.9
463.12616	0.7
475.12451	10.2
487.12265	1.0
493.13541	24.8
494.13663	0.8
505.13586	6.6
523.14697	2.4
595.16980	1.1
613.17969	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64041	0.1
56.82891	0.1
58.02595	0.1
58.02840	1.5
58.23343	0.1
63.02255	0.3
65.00173	0.8
66.74464	0.2
66.91685	0.1
66.97614	0.1
67.90945	0.1
68.99633	0.1
70.02481	0.2
70.02838	2.1
70.62887	0.1
70.88448	0.1
76.24890	0.1
83.01228	0.5
96.00769	10.3
96.95866	0.1
105.03334	0.2
106.04099	1.9
106.06473	0.3
107.01246	2.3
108.02016	0.2
114.01833	4.3
118.06511	0.3
121.02789	0.5
132.02090	0.2
133.02829	12.5
134.03177	0.2
143.04929	0.1
149.02328	2.4
151.00262	5.8
151.01483	0.3
167.04982	0.2
169.01288	0.1
171.04428	0.3
175.03917	3.6
185.05984	0.2
187.03928	0.2
189.05556	0.2
197.06036	0.4
198.03174	0.5
199.03944	2.8
201.01828	1.1
212.10759	5.7
212.12804	0.3
213.05553	0.5
213.11006	0.2
214.02628	0.1
215.03407	0.3
217.05037	1.5
223.03880	0.3
224.10754	1.3
226.02641	0.3
229.05124	0.2
238.12323	0.2
239.03371	0.1
240.04323	0.2
241.05132	1.0
242.02057	0.1
243.02994	0.6
257.04529	0.5
267.02988	0.4
267.11502	0.5
285.04062	100.0
286.04419	2.7
309.12469	2.3
316.75906	0.2
327.13525	24.4
328.13919	0.9
531.36572	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	613.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28118	0.5
57.03316	19.2
57.04434	0.3
58.00451	0.3
59.00169	0.5
59.01243	25.6
59.02418	0.5
66.89400	0.3
71.01241	11.7
72.99155	0.5
73.02805	12.8
75.00736	0.6
79.05370	0.7
81.03306	1.6
83.01241	3.9
85.02786	2.4
87.00753	0.5
89.02298	7.0
95.01250	0.9
96.99152	1.4
97.06454	0.8
97.99956	0.9
99.00712	0.8
99.04376	6.2
101.01641	0.7
101.02306	13.0
109.99962	24.0
112.98678	0.6
113.02321	3.9
113.05930	0.8
118.06440	0.6
119.03349	2.8
123.04372	1.6
124.01500	2.3
124.02738	0.6
124.98740	1.8
125.02319	2.0
125.99467	5.3
140.98112	0.5
141.05421	0.9
143.03354	0.5
153.05458	0.4
153.98970	10.6
161.04436	2.1
168.00580	0.8
173.09576	0.4
189.12724	0.6
199.11226	0.5
217.12289	2.6
245.11801	3.0
263.07599	0.5
271.09711	0.8
289.10834	3.6
350.67300	0.4
425.18243	1.5
467.19308	1.6
469.17188	17.6
470.17404	0.7
493.16809	0.8
507.22839	0.5
511.18222	21.3
512.18555	0.8
551.21375	7.3
569.22314	0.6
595.19812	0.5
613.21436	100.0
614.21924	4.6
618.30841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33959	0.2
54.09589	0.2
57.09369	0.2
57.25212	0.3
57.25766	0.2
57.26151	0.2
59.59558	0.3
61.97274	1.4
61.98693	100.0
61.99950	1.8
70.59166	0.3
96.16312	0.3
158.79921	0.3
164.88321	0.3
174.69951	0.3
226.89471	0.3
270.62253	0.3
292.52933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24429	0.1
54.12759	0.1
59.01229	0.3
74.00713	0.1
78.95769	0.2
86.79359	0.1
144.28091	0.1
159.23116	0.1
261.22372	0.3
275.15112	0.4
279.23297	100.0
280.23636	2.2
315.23462	0.2
330.89291	0.2
333.22870	0.6
462.19733	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	614.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38696	0.3
59.01229	0.3
78.95764	0.8
79.95587	1.6
90.21815	0.3
92.92674	0.6
94.92363	0.6
96.92087	1.3
96.93456	1.5
96.95869	100.0
96.96872	2.6
96.98597	0.8
121.02792	0.6
121.60843	0.4
308.81839	0.4
336.03726	0.4
451.68561	0.4
511.35428	0.5
628.77863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91002	0.3
59.01229	0.5
65.53886	0.3
71.01215	0.6
89.02294	0.7
93.03313	0.9
103.82794	0.4
106.04136	0.7
107.04891	0.9
109.02823	0.6
121.02815	10.2
124.01476	0.6
127.37740	0.5
134.82657	0.5
136.01544	5.0
137.02324	0.9
172.24210	0.6
185.06097	0.7
197.06001	1.5
199.07448	0.7
209.05977	0.6
210.06792	0.6
211.03842	0.7
211.07578	2.3
212.08434	0.6
213.09196	0.8
225.05600	2.9
226.06328	12.6
227.07033	1.8
228.07826	0.9
241.04970	0.8
242.05692	0.7
258.05365	2.0
304.11005	0.5
315.10242	1.5
332.10538	1.3
333.11368	8.4
431.66931	0.5
439.15512	100.0
440.15927	5.4
461.13657	1.4
477.10284	1.9
537.12305	1.6
559.10577	1.3
647.94049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2417
Annotation	22-Demethylmaytansinol 3-isobutyrate
Peak:m/z	Relative Intensity
50.08618	1.9
54.15601	2.1
59.85846	2.0
60.05433	1.9
61.77516	2.3
80.67863	2.3
96.95817	2.9
106.06484	6.4
122.05995	15.0
128.03445	4.6
134.06000	42.2
152.07060	97.9
182.64883	2.8
225.06673	2.8
239.08139	3.8
247.84248	2.8
253.09808	15.9
254.10622	44.2
255.11372	7.5
303.95264	3.0
320.39731	2.8
389.17477	9.0
419.18552	50.7
420.19049	4.2
463.17667	27.4
464.17853	3.8
575.25537	17.2
619.24146	100.0
620.24243	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	620.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71140	0.6
58.02832	1.0
72.00773	2.9
74.12414	0.8
78.19913	0.6
79.77416	0.6
85.88219	0.6
86.96830	0.7
87.05516	1.7
91.73512	1.0
96.95866	1.6
99.05497	1.3
100.03907	1.5
116.01601	0.9
125.03408	3.2
126.04243	1.9
127.05010	2.9
128.03412	11.1
135.05513	1.0
138.52834	0.7
139.22675	0.7
140.03156	1.1
143.04521	1.4
150.01622	15.8
152.03198	2.4
153.06619	2.6
155.02461	0.8
160.00621	3.4
166.04765	2.6
167.04291	10.7
168.01404	3.2
168.02756	3.7
175.04807	3.0
179.04434	3.0
181.05870	21.0
193.05850	2.9
197.05513	0.8
198.18440	0.8
199.01567	2.8
207.03857	10.5
207.07359	1.1
209.03644	1.7
212.01796	1.1
212.53662	0.7
219.03894	2.9
220.06996	1.8
221.05453	10.9
223.06816	0.9
225.03552	1.0
238.08102	16.1
250.00078	0.8
250.08228	7.0
253.02716	3.8
276.05737	2.9
282.06158	1.0
294.07120	13.6
310.04645	2.2
319.06992	0.8
328.05869	100.0
329.06146	2.1
347.16580	0.8
411.95651	0.8
602.25018	0.8
620.26044	27.1
621.26276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54543	0.3
57.03324	1.9
59.00970	0.7
59.01242	10.2
63.02256	0.8
63.61509	0.3
65.00188	0.4
67.01724	0.3
68.99657	1.2
69.03301	0.7
69.64876	0.4
71.01239	13.3
71.02728	0.4
71.07838	0.3
72.99165	11.6
73.02802	4.3
75.00729	20.7
76.49158	0.6
78.95784	0.6
83.01246	1.3
84.02010	0.5
85.02805	23.6
87.00732	4.7
89.02293	3.4
95.01255	3.1
97.02798	1.1
99.00735	22.3
101.02294	2.7
103.00231	3.8
107.01257	0.5
111.00788	1.0
112.98920	0.4
113.02306	30.4
113.05315	0.5
115.00226	2.3
117.01788	2.4
117.03303	2.3
129.01828	2.3
131.03381	2.7
133.01329	1.1
139.00230	1.5
149.02299	0.4
151.00221	0.8
157.01295	3.9
159.04439	0.8
161.02399	0.4
173.04446	0.9
175.02380	5.1
193.03462	10.5
201.05568	0.5
227.95131	0.4
234.53964	0.5
235.04573	1.7
268.03870	0.9
269.04572	26.6
275.04022	0.6
329.66156	0.5
333.04773	0.4
337.34457	0.5
351.05704	100.0
352.05997	1.9
387.03122	0.5
396.61777	0.4
445.07977	1.0
450.21295	0.7
521.32294	0.5
603.93604	0.6
621.11212	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	622.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68200	1.3
58.02847	6.5
70.02831	2.1
74.02332	15.9
74.02637	1.4
82.02863	2.1
86.02354	5.6
87.05495	3.1
90.36733	2.1
90.70013	1.6
96.95893	8.0
97.03970	1.8
99.05482	18.6
99.08353	2.1
101.07089	2.8
112.03913	2.7
115.60466	1.5
123.05550	2.6
127.05032	3.8
128.03407	39.3
128.42288	1.7
131.04514	2.0
135.05539	3.7
141.06580	3.6
143.04509	53.9
143.05540	3.0
145.06128	3.0
146.04500	4.3
153.06622	4.1
160.00638	14.5
166.09807	2.7
167.04584	4.7
167.08122	1.8
177.03368	5.9
179.04573	13.8
181.06099	2.7
192.07816	3.1
207.58624	1.7
210.08781	11.7
219.67635	1.7
224.26651	1.9
234.57774	1.7
254.07809	16.7
272.08914	33.7
288.06589	8.9
306.07666	100.0
348.87207	1.9
362.06580	1.8
622.28052	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	622.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46314	0.9
55.56045	0.9
56.92420	0.9
56.96658	0.8
58.02837	5.4
63.19662	0.8
72.00777	1.2
74.02331	13.5
82.02819	1.4
84.04420	1.2
86.02326	5.9
86.05991	1.3
86.98975	1.0
87.05505	3.0
87.32213	0.9
88.54855	0.9
90.00034	1.7
91.72980	1.7
96.20148	0.9
96.95834	1.0
97.03929	1.2
99.05500	15.9
101.07088	2.5
102.05478	1.5
109.03955	1.4
112.03915	1.6
123.05511	1.8
125.00549	2.1
125.03428	1.0
127.04963	2.1
128.03404	38.4
135.05534	4.5
141.06575	3.7
143.04507	53.9
145.06036	2.4
145.43686	1.0
146.04468	5.1
153.00018	1.4
153.06529	2.1
154.03221	4.0
160.00620	13.1
166.09766	1.8
167.04482	4.8
167.08105	1.7
173.22850	1.0
177.03320	4.3
179.04546	11.1
181.06052	1.6
182.02769	7.4
183.03452	1.4
184.04271	3.1
185.05656	2.7
197.05667	2.6
198.02229	1.0
198.08696	1.2
210.08800	10.2
242.07832	1.2
254.07794	14.4
272.08868	28.6
288.06534	8.5
306.07666	100.0
307.08142	1.5
392.94519	1.1
439.15640	3.3
622.28009	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	622.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09256	0.1
57.02041	0.2
57.03316	11.0
57.04443	0.2
59.01242	4.6
59.02443	0.1
62.33830	0.1
66.50407	0.1
71.01242	1.9
71.04328	0.1
73.02807	2.3
77.41261	0.1
79.05375	0.1
81.03281	0.2
83.01234	0.6
85.02805	0.3
89.02299	1.7
96.95882	0.5
99.04373	1.8
101.02304	5.6
113.02312	1.0
119.03362	0.6
123.04368	0.8
125.02311	1.2
135.04401	4.0
135.05156	0.1
135.05438	0.2
138.20967	0.1
141.05481	0.2
147.03157	2.7
149.04356	0.1
160.03938	0.6
161.04596	0.6
162.05499	100.0
162.10793	1.1
163.05882	0.9
164.07085	0.2
199.33253	0.2
271.45987	0.1
298.18127	4.6
323.84015	0.1
349.11285	0.1
460.23459	1.5
478.24475	22.8
479.24881	0.6
520.25537	15.8
521.25946	0.4
524.67908	0.1
560.28693	3.7
622.28741	20.5
623.28851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02105	0.2
57.03317	10.1
57.04397	0.2
59.01242	4.5
66.75089	0.1
71.01236	1.9
73.02805	2.3
81.03320	0.2
83.01252	0.6
85.02805	0.4
87.00723	0.2
89.02288	1.5
95.01202	0.2
96.95852	0.1
97.06461	0.1
99.04372	1.9
101.02306	5.3
113.02307	1.0
113.05956	0.2
117.84718	0.1
118.54928	0.1
119.03329	0.6
122.03507	0.1
123.04382	0.8
125.02338	0.7
131.03375	0.1
134.02330	0.2
134.03592	0.2
135.04399	3.2
141.05438	0.3
147.03160	2.2
147.04309	0.1
160.03885	0.5
161.04646	0.5
161.99623	0.9
162.05501	100.0
162.10638	1.1
163.05855	0.8
164.07103	0.3
180.15610	0.1
269.04337	0.2
270.05072	0.1
298.18121	5.6
299.18277	0.1
316.19183	0.2
441.54626	0.1
446.08847	0.1
460.23599	0.9
478.24478	22.9
479.24792	0.7
520.25537	16.6
521.25983	0.4
560.28632	3.7
622.28754	19.0
623.29279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1258
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
54.04295	0.2
59.01244	2.1
63.93285	0.2
65.00188	0.7
69.80502	0.2
71.01243	1.3
72.99154	0.4
73.02788	0.3
73.93910	0.2
75.00726	3.7
75.01125	0.3
75.44572	0.2
83.01236	0.7
85.02797	1.6
89.02293	1.1
94.28346	0.2
95.01248	0.2
96.95856	0.3
97.02826	0.3
99.00737	3.0
101.02285	1.2
105.03307	0.4
105.50616	0.2
106.62216	0.2
107.01252	2.0
113.02301	2.8
113.03558	0.2
119.03372	0.7
121.02827	0.4
128.03343	0.2
129.01802	1.1
131.03410	0.2
133.02815	8.6
139.00269	0.5
149.02315	1.5
151.00255	4.9
157.01317	0.6
169.06441	0.3
171.04463	0.3
175.03894	2.7
177.01802	0.3
179.05493	0.5
185.06058	0.3
197.06091	0.3
198.03137	0.3
199.03928	2.8
201.01857	0.8
213.05428	0.6
215.03485	0.4
217.04973	1.4
221.06648	1.0
223.03970	0.3
240.04259	0.2
241.04973	1.1
243.02994	0.5
255.02960	1.0
256.03723	0.8
257.04550	0.5
267.02841	0.3
268.04037	0.3
269.04581	0.2
281.04120	0.2
283.02441	0.7
284.03259	1.7
285.04050	100.0
286.04401	2.5
337.07770	1.0
362.24112	0.2
381.05994	0.7
399.07047	0.6
561.12573	0.4
623.12567	10.7
624.12701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79169	0.2
59.01011	0.2
59.01247	2.0
63.02262	0.4
63.98670	0.2
65.00180	0.9
68.30203	0.2
71.01244	1.3
72.99168	0.3
75.00726	3.4
77.23561	0.2
83.01228	0.6
85.02811	1.5
87.00728	0.3
89.02287	0.9
95.01236	0.4
96.95839	0.3
97.02799	0.4
99.00737	4.0
101.02287	1.0
107.01254	1.9
111.00740	0.3
113.02303	2.1
119.03387	0.3
121.02792	0.3
129.01810	1.1
133.02826	9.0
139.00281	0.6
143.03366	0.2
147.04439	0.2
149.02354	1.9
151.00246	5.0
152.31029	0.2
157.01299	0.7
171.04416	0.3
173.06058	0.3
175.03938	2.7
179.05554	0.7
197.05847	0.3
198.03191	0.4
199.03923	2.3
201.01804	0.8
213.05583	0.4
215.03349	0.3
217.04996	1.8
221.06648	1.2
226.02722	0.2
229.05031	0.2
240.04272	0.3
241.05049	1.0
243.02974	0.8
255.02933	1.0
256.03717	0.8
257.04599	0.5
267.02914	0.3
268.03961	0.4
269.04514	0.3
283.02429	0.8
283.64560	0.2
284.03250	1.9
285.04056	100.0
286.04416	1.3
337.07706	1.0
381.06155	0.6
399.07281	0.7
561.13330	0.2
623.12567	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	623.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49261	1.2
57.03309	2.5
59.01237	6.9
71.01243	3.2
73.19117	1.2
73.27113	1.4
75.00731	3.4
78.01493	1.1
81.46388	1.1
85.02789	4.5
86.60334	1.4
89.02302	4.1
99.00743	3.5
101.02321	2.6
113.02321	5.5
116.30555	1.6
117.43707	1.2
120.01102	1.2
121.02783	1.3
123.04414	7.1
128.27074	1.6
130.06096	1.5
133.02861	3.9
151.00261	2.9
162.05502	15.7
163.05847	2.2
165.05478	3.3
175.03915	2.9
199.03960	1.6
241.04994	1.8
269.04626	1.6
271.09912	2.5
284.03268	10.8
285.04065	100.0
297.03821	3.3
298.17883	1.7
327.05072	5.3
399.07214	29.6
414.71603	1.6
443.05939	2.1
447.09747	1.9
449.89197	2.0
461.07178	1.6
467.26129	1.5
478.24429	3.5
479.24710	3.1
520.25531	2.6
622.28790	2.8
623.12128	7.5
623.20941	2.6
651.96765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46831	0.3
57.03302	1.3
59.00974	0.3
59.01244	5.0
63.02254	1.2
65.00188	0.6
68.99660	0.3
70.11243	0.3
71.01237	4.8
72.99153	1.0
73.02782	0.7
75.00729	2.2
83.01231	0.4
85.02805	11.2
85.15366	0.6
87.00719	1.5
89.02293	1.3
89.39174	0.3
95.01245	2.9
99.00739	3.5
103.00233	2.0
107.01243	1.5
113.02306	21.8
114.02683	0.3
115.00259	0.8
117.01775	1.2
117.03334	3.4
129.01813	0.9
149.02322	1.2
151.00223	0.9
157.01328	0.3
159.04388	1.4
161.02307	0.9
175.02388	11.3
183.04416	0.9
197.05943	0.6
201.05487	0.6
225.05527	1.7
227.03606	0.3
268.92685	0.9
269.04568	100.0
270.04871	2.7
271.67587	0.3
311.05753	0.6
445.07813	21.2
446.08102	0.9
532.53168	0.4
652.14948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4241
Annotation	urushiol dimer
Peak:m/z	Relative Intensity
50.04993	0.5
59.01249	9.4
67.32363	0.5
71.01234	1.0
83.04872	0.8
87.78135	0.5
104.93108	0.6
104.96577	1.2
104.97240	1.3
121.10101	0.7
122.37725	0.6
135.11797	0.6
137.78862	0.6
149.13275	0.9
156.88295	0.7
176.59500	0.7
177.09201	0.6
203.18024	3.2
223.17059	0.7
229.19429	0.8
257.22751	18.4
283.20532	0.9
301.21756	100.0
302.22113	2.5
388.35858	0.8
400.48975	0.7
625.42462	71.7
626.42755	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	627.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03308	14.9
83.01244	11.1
83.25015	3.4
88.03866	9.0
95.04854	8.4
97.02798	10.4
98.02312	3.1
99.04368	5.1
109.02843	8.7
113.03455	3.2
119.04874	4.0
121.02789	5.5
123.04363	29.8
125.02303	44.3
133.02806	25.4
135.04411	4.5
137.02306	11.5
139.03897	5.3
151.03868	7.5
153.05385	5.4
167.03369	53.3
177.01862	8.7
179.03378	15.8
191.03462	5.8
197.04469	16.1
203.01471	3.4
209.04498	100.0
235.02638	7.6
239.03346	7.0
239.05586	74.1
240.74294	3.6
247.02365	3.8
251.05566	5.9
260.75690	3.7
269.06702	30.6
277.03635	21.2
307.04553	11.8
311.07590	7.0
329.08755	14.7
337.05801	4.8
359.10013	4.4
387.07248	70.1
397.07962	4.3
405.56479	4.6
417.08221	30.4
447.09680	6.2
489.10327	8.4
507.11514	25.9
519.11530	4.0
519.69678	3.9
620.78046	4.3
627.15869	9.1
627.38538	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	627.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99485	0.3
52.49360	0.3
57.03308	0.9
59.01236	1.0
62.74177	0.3
63.30738	0.3
64.46223	0.3
71.02917	0.3
73.02802	0.4
79.08372	0.4
79.95599	1.7
81.13906	0.4
96.93544	1.2
96.95867	100.0
96.98559	1.3
99.04370	1.5
107.42449	0.4
111.76288	0.3
114.93279	0.8
122.75729	0.3
125.02315	0.7
146.48047	0.3
169.38742	0.4
205.12280	0.5
257.61310	0.4
457.59644	0.4
529.23218	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	627.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00082	1.4
59.01242	100.0
59.02523	1.5
62.00017	1.3
63.06714	1.0
63.67183	1.0
74.22089	1.1
75.48186	1.1
87.54735	1.4
87.58511	1.2
93.77841	1.3
141.01579	72.4
217.00194	1.4
249.18648	3.3
270.88803	1.4
275.05975	2.8
306.66858	1.4
331.18701	1.7
388.93103	1.7
507.24680	3.7
541.93768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21304	0.3
51.25567	0.4
56.21801	0.3
58.99905	1.0
59.01243	100.0
59.02406	1.9
60.01596	0.4
71.01205	0.5
74.99226	0.5
86.74699	0.4
97.02864	0.6
99.16557	0.4
113.00877	0.4
117.00282	0.5
126.31843	0.4
141.01579	71.6
171.94530	1.1
173.02916	0.7
178.79413	0.4
201.02573	0.5
249.18636	1.9
257.05045	0.5
275.06158	4.5
317.07217	0.8
331.18329	1.3
363.16562	1.4
473.29099	1.5
507.24438	3.6
508.24796	0.6
567.26190	1.0
569.18542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00586	1.4
57.11978	1.5
73.03921	5.3
87.05482	7.3
88.03894	57.2
95.02328	2.7
96.00771	19.9
96.95867	3.5
98.02346	2.6
99.01830	2.5
113.03432	4.9
113.07073	10.9
116.05592	2.2
121.32906	1.8
125.07104	1.9
130.08598	1.8
134.05443	1.6
137.81703	1.8
139.08618	1.8
140.07024	2.7
149.07091	2.6
152.07034	1.8
152.08191	2.0
153.06593	4.0
157.13333	12.7
157.65344	1.9
158.88441	1.7
164.09576	1.8
166.06166	4.2
169.09714	4.1
170.09254	46.0
171.07629	2.1
179.11806	2.3
181.09781	11.0
183.11357	3.1
184.07220	26.5
201.12415	11.5
214.15405	8.4
249.09811	1.9
258.14658	4.1
267.11127	2.2
270.14694	2.6
279.18222	3.4
315.43173	2.3
337.16092	4.2
389.02609	1.9
412.22028	25.9
424.22006	3.1
442.23145	32.7
509.23752	2.7
530.50537	1.9
591.26587	2.4
597.30157	20.5
609.30072	5.5
624.69873	2.1
627.31091	100.0
628.31537	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	629.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86777	2.5
63.57501	2.7
68.64005	2.4
76.45428	3.6
94.06507	6.0
96.95856	4.2
96.96902	3.4
106.06474	4.0
107.03632	4.1
110.47156	3.2
110.97869	3.4
120.08064	47.4
122.05998	67.7
132.04445	6.8
134.05995	6.9
152.05835	3.7
152.07057	76.2
164.07147	3.5
165.26875	3.1
165.88347	3.6
171.81232	3.2
199.00620	3.2
223.08733	9.9
225.10358	7.8
233.92934	3.9
237.10242	5.9
238.11121	14.4
239.11961	15.0
253.13469	49.0
265.13608	8.9
267.11505	6.9
272.08878	3.2
279.11432	3.9
287.14288	4.0
297.12549	24.9
298.13049	5.0
390.18201	4.0
418.21472	7.7
462.20355	81.3
462.26337	6.5
463.21069	9.4
567.26508	3.9
585.27264	100.0
586.27545	4.9
621.44073	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	632.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22135	2.3
50.90852	2.0
53.96598	1.9
56.70487	2.1
58.70884	2.6
63.96128	2.8
64.36469	2.0
72.12580	2.7
74.26417	2.5
80.13094	2.5
108.01086	5.1
113.80016	2.6
121.02847	3.1
150.02200	7.0
186.64879	2.8
250.13049	2.9
437.13934	68.1
438.14423	4.1
588.16968	100.0
589.17255	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	632.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11465	0.6
57.03306	0.9
58.02849	4.5
59.76307	0.6
63.02071	0.7
69.57568	0.7
74.02328	10.2
86.02319	4.1
86.05958	1.2
86.98930	1.1
87.05490	2.2
90.00056	1.3
96.95869	14.6
97.03920	1.3
99.05499	9.8
101.07075	1.2
102.05463	1.0
109.03951	0.8
112.03896	1.1
113.59505	0.7
116.01633	1.2
116.56318	0.7
116.92712	0.8
118.94069	1.7
124.03909	0.8
127.05009	2.0
128.03413	25.2
133.22539	0.7
135.05498	2.2
140.27664	0.7
141.06548	2.1
143.04510	38.2
144.01086	0.9
145.06116	1.3
146.04462	3.1
147.05873	0.7
150.05554	0.7
153.06558	2.8
160.00626	11.4
166.09741	1.8
167.04547	2.9
167.08159	1.9
177.03334	4.4
178.96242	0.8
179.04578	6.3
181.06001	1.0
185.05637	1.7
197.05597	0.7
210.08780	8.8
213.54489	0.8
221.35442	0.7
242.07794	1.1
254.07825	7.5
255.07774	0.8
272.08951	14.9
288.06586	5.4
306.07669	100.0
307.07986	1.4
470.23846	0.8
490.45465	0.9
544.22705	1.0
633.17902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99183	1.6
57.03315	2.2
58.00470	2.0
59.00971	3.5
59.01241	44.6
65.87228	1.6
66.00664	1.7
71.00866	3.8
71.01237	43.0
72.45245	1.7
72.99168	2.0
73.02808	12.1
81.57270	2.1
83.01238	11.8
85.02789	11.7
87.00731	55.1
89.02300	43.1
90.65398	2.0
94.56808	2.0
95.01249	2.9
96.95873	2.0
101.02312	23.9
113.02306	32.7
115.03876	2.2
119.03365	12.0
125.02341	3.2
129.01817	2.7
131.03253	2.8
134.34702	2.6
141.01826	2.9
143.03372	9.1
161.04436	15.3
179.05511	14.3
187.97195	2.3
245.19148	7.1
249.18597	100.0
253.13394	2.7
263.20206	11.8
273.18588	2.6
291.19763	18.8
323.09854	34.7
341.10898	82.1
573.29169	19.2
635.45074	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	633.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40582	2.9
53.17538	2.9
70.02831	6.2
71.04877	6.6
74.35625	3.2
75.95569	4.3
79.81264	3.5
117.53741	4.5
130.03201	5.9
146.08110	51.1
217.11937	13.9
223.02409	4.7
277.12289	100.0
308.92670	4.5
336.25519	8.1
337.23666	19.7
396.25793	16.4
498.86270	4.2
597.35406	11.0
633.33588	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61447	0.2
59.01235	0.7
60.62094	0.2
71.01228	0.2
109.02827	0.7
113.79580	0.2
148.98712	0.2
183.50650	0.2
205.19463	0.2
233.22687	0.3
251.68221	0.2
259.20828	0.3
275.20175	0.2
277.21738	100.0
278.22073	2.0
301.21658	0.3
315.46317	0.2
337.21683	0.4
586.54211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	28.6
59.94548	24.3
60.57363	24.3
62.11891	24.8
94.70133	32.2
101.80375	28.1
152.99512	72.8
153.65800	35.4
171.10150	100.0
177.99780	35.7
399.14212	86.7
573.07513	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12072	32.4
51.99719	35.2
59.01247	100.0
61.98687	80.0
71.80755	31.4
91.73277	59.0
130.23257	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	635.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	84.6
63.95531	80.7
85.54846	75.8
92.81277	86.2
122.35120	88.6
141.67502	74.3
149.58720	86.5
165.20885	84.3
189.61954	80.5
272.08441	82.6
336.63831	92.2
446.44247	100.0
464.99860	93.6
531.59369	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	636.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09532	0.6
52.52989	0.5
57.44434	0.6
58.99921	1.4
59.01242	100.0
59.02410	1.7
78.95745	0.8
79.30749	0.7
100.46597	0.7
119.22651	0.7
130.97884	0.6
134.51648	0.6
138.97025	0.7
140.96790	0.9
141.01578	83.0
154.47411	0.7
255.23302	4.0
473.29654	2.2
480.31204	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	636.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91381	0.4
54.25703	0.3
56.44480	1.0
67.15785	0.4
72.66019	0.4
78.95756	8.3
79.04744	0.5
79.15073	0.4
82.42164	0.6
82.42615	0.6
87.38817	0.4
90.63543	0.4
97.30027	0.5
99.13930	0.5
121.99980	0.6
140.01083	4.4
152.99455	0.7
155.14299	3.2
167.83157	0.5
183.13824	2.2
196.03676	2.2
199.13232	0.7
201.14897	100.0
201.22450	1.1
202.15186	1.3
255.23299	34.1
256.23575	1.2
296.49213	0.5
400.05829	0.5
452.28088	2.9
636.42542	23.2
637.42657	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	637.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54626	0.4
57.03306	2.2
59.01240	9.3
64.70238	0.5
65.00174	0.9
71.00868	1.0
71.01240	12.1
72.99165	11.5
73.02811	3.2
75.00730	13.5
78.86719	1.6
78.87185	1.2
83.01229	2.1
84.66184	0.4
85.02291	0.8
85.02806	16.9
87.00732	3.3
89.02304	3.4
91.72713	0.5
95.01233	2.2
97.02805	1.1
99.00735	17.3
101.02297	2.4
103.00217	4.0
107.01238	2.3
113.02305	21.0
115.00227	1.3
117.00303	0.6
117.01777	1.4
121.02762	0.7
129.01807	1.8
131.03387	2.7
133.01344	1.0
133.01743	0.6
133.02824	9.2
139.00250	0.9
149.02332	2.2
151.00270	6.0
157.01353	2.3
175.02374	2.5
175.03918	4.1
188.22810	0.5
193.03462	8.3
198.03117	0.6
199.03958	2.7
201.01901	1.2
213.05507	0.7
217.05008	2.1
226.12474	0.5
235.04625	1.2
241.04997	0.6
243.02931	1.0
255.03043	1.6
256.03723	0.9
283.02570	1.4
284.03244	2.7
285.04059	100.0
286.04428	2.8
351.05701	83.0
352.05966	1.6
385.51151	0.6
461.07327	6.1
587.02130	0.7
604.54358	0.6
637.10541	27.4
638.10663	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	637.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.2
58.16450	0.4
59.01239	1.2
59.80867	0.2
62.09179	0.3
65.00171	0.6
71.01225	1.1
72.99169	0.5
75.00710	0.4
83.22727	0.3
83.25152	0.2
85.02814	1.6
87.00735	0.6
89.33186	0.5
99.00713	0.6
99.69017	0.3
104.94774	0.2
107.01243	1.0
107.28554	0.3
108.56833	0.2
110.70809	0.3
113.02309	1.4
121.02875	0.3
133.02814	5.1
133.03813	0.4
149.02365	1.2
151.00253	3.3
151.34146	0.2
171.04366	0.2
175.02429	0.5
175.03903	1.6
185.89211	0.3
193.48668	0.3
197.06026	0.3
198.03239	0.4
199.03979	1.6
201.01784	0.5
207.90002	0.2
213.05481	0.6
217.05103	1.1
229.05011	0.4
241.04976	0.7
243.03058	0.7
244.61177	0.3
255.02921	0.3
257.04630	0.4
267.02933	0.3
283.02615	0.3
284.03271	0.7
285.04059	100.0
285.17371	0.8
286.04355	0.7
327.05020	1.0
395.55374	0.3
461.07312	40.4
462.07437	0.4
464.94116	0.3
479.08362	0.8
510.68881	0.3
637.10565	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	637.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49326	0.2
57.03312	0.2
57.04613	0.2
58.16456	0.4
58.91974	0.2
59.01001	0.2
59.01244	2.0
63.02267	0.2
64.36455	0.2
64.63689	0.2
65.00192	0.3
71.01236	1.2
71.51165	0.2
72.62539	0.2
72.99160	0.4
73.02811	0.3
75.70446	0.2
83.01233	0.5
83.04878	0.3
85.02803	3.5
87.00713	0.8
89.33190	0.4
89.33719	0.4
89.88075	0.2
96.95864	0.4
97.02794	0.8
99.00741	0.3
103.00258	0.3
105.03333	0.2
107.01254	1.0
109.02835	0.2
112.58265	0.2
113.02304	2.4
115.00244	0.3
121.02778	0.4
126.73080	0.2
133.02820	5.7
133.03824	0.3
140.80565	0.2
149.02309	1.4
151.00267	4.1
169.06429	0.3
173.82655	0.2
175.02399	1.0
175.03909	2.3
178.51549	0.2
185.05989	0.3
193.48575	0.3
197.06007	0.2
198.03053	0.3
199.03986	1.8
199.67122	0.2
201.01836	0.8
213.05548	0.7
215.03398	0.4
217.05074	1.2
223.03975	0.3
229.04768	0.2
241.04997	0.6
242.02267	0.4
243.02945	0.6
255.02972	2.0
256.03821	1.1
257.04532	0.5
267.03143	0.4
269.04465	0.3
283.02463	1.8
284.03290	3.6
285.04053	100.0
286.04355	2.1
297.04120	0.3
327.05270	1.3
355.04410	0.4
364.12219	0.6
399.07196	0.6
443.06094	0.3
461.07278	45.8
462.07547	1.1
550.23175	0.2
637.10541	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	637.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37022	0.1
54.12727	0.1
57.03307	0.2
58.16463	0.1
59.01244	1.8
63.02262	0.3
65.00175	0.5
68.99672	0.1
71.01241	1.2
71.01629	0.1
72.99168	0.3
73.02798	0.1
75.00723	0.2
83.01239	0.5
85.02805	2.5
87.00737	0.8
89.02275	0.2
89.33244	0.1
95.01260	0.4
97.02817	0.1
99.00751	0.6
101.02283	0.1
103.00247	0.2
105.03306	0.3
107.01250	1.2
109.02803	0.3
111.00711	0.1
113.01544	0.1
113.02312	2.3
115.00228	0.3
117.01837	0.1
121.02827	0.3
129.01834	0.2
132.02052	0.1
132.63591	0.1
132.98433	0.1
133.02820	6.0
133.06744	0.1
135.04362	0.1
143.04811	0.1
145.02797	0.1
145.06523	0.1
147.04390	0.2
149.02339	1.4
151.00256	4.0
161.09541	0.1
163.00386	0.1
169.01360	0.1
169.06465	0.2
171.04425	0.3
174.03171	0.1
175.02400	0.7
175.03922	2.4
177.01862	0.3
183.04453	0.1
185.06067	0.4
187.03979	0.1
189.05553	0.1
190.93161	0.1
195.04404	0.1
197.05997	0.3
198.03169	0.2
199.03941	2.2
201.01848	0.8
211.03984	0.1
212.04762	0.1
213.05504	0.6
215.03481	0.6
217.05011	1.4
223.03928	0.3
226.02580	0.2
229.04999	0.2
239.03479	0.2
240.04161	0.2
241.05013	0.9
242.02158	0.1
243.03000	0.7
255.02985	0.5
256.03656	0.4
257.04523	0.4
267.02917	0.4
269.04434	0.1
283.02524	0.4
284.03256	1.3
285.04056	100.0
285.16373	0.9
286.04370	2.0
297.03937	0.4
298.04703	0.1
299.05643	0.2
327.05103	0.9
355.04596	0.2
357.06235	0.3
381.06427	0.1
399.07227	0.2
443.06320	0.1
461.07297	36.3
462.07733	1.0
479.08405	0.7
606.74408	0.1
637.10547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01720	0.4
56.99762	0.3
58.76104	0.3
59.01236	2.2
60.45341	0.3
67.01746	0.6
68.99657	0.4
71.01223	2.3
75.00747	0.8
85.02802	4.8
85.36731	0.3
87.00695	0.5
89.02286	0.5
89.33205	0.6
89.33671	0.4
93.03320	0.8
95.01263	1.7
99.00735	1.9
108.02058	0.4
111.00748	0.7
113.02313	7.3
115.00250	0.4
117.01807	0.9
117.03320	2.9
119.04872	1.5
128.03427	0.6
136.98717	0.7
137.02310	1.8
139.00235	1.5
145.02814	0.6
152.28499	0.4
157.06502	0.4
163.00240	0.5
163.31320	0.4
165.01825	1.8
166.99725	1.4
169.06471	0.5
171.04475	0.8
175.02402	3.6
179.03415	0.4
185.06003	1.4
187.03923	1.7
192.00577	0.9
195.04395	0.6
201.05682	0.4
211.03983	0.7
213.05472	3.0
215.03539	0.6
229.04991	0.8
239.03496	1.9
241.04970	1.6
257.04547	1.0
267.02945	0.8
272.04272	0.4
283.02493	0.6
284.03122	1.2
284.91241	0.8
285.04059	100.0
286.04446	2.4
327.05084	1.3
461.07321	19.7
462.07687	0.8
637.10626	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	637.1054
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.42252	0.1
57.03304	0.1
58.16457	0.2
59.01242	1.7
61.52009	0.1
63.02253	0.7
65.00186	0.5
71.00879	0.2
71.01242	2.0
72.99154	0.4
73.02791	0.3
75.00716	0.6
83.01238	0.5
85.02806	2.4
87.00732	0.6
89.02290	0.4
89.33249	0.2
95.01242	0.3
96.14877	0.1
99.00729	0.9
103.00243	0.3
105.03320	0.4
107.01254	1.2
109.02820	0.5
113.02300	2.0
115.00215	0.3
117.01804	0.5
121.02827	0.4
124.70575	0.1
129.01781	0.3
129.09697	0.1
133.02821	5.3
147.04396	0.2
149.02335	1.4
151.00264	3.5
166.34909	0.2
169.01407	0.2
171.04404	0.3
175.02385	0.6
175.03922	2.2
177.01796	0.3
185.05989	0.4
189.05441	0.2
197.05989	0.3
198.03204	0.3
199.03941	1.9
201.01866	0.7
213.05542	0.4
215.03410	0.3
217.05075	1.2
223.03989	0.3
226.02580	0.2
229.05019	0.2
236.78952	0.2
239.03555	0.1
240.04214	0.2
241.05228	0.6
242.02173	0.2
243.02945	0.8
257.04514	0.6
267.02890	0.4
284.03375	1.3
284.91791	0.9
285.04059	100.0
286.04413	2.8
297.04028	0.5
299.05573	0.3
326.71500	0.2
327.05075	1.7
339.05087	0.2
355.04550	0.3
357.06235	0.9
369.06140	0.3
381.06281	0.4
399.07092	0.3
461.07309	26.8
462.07761	0.8
503.07980	0.4
637.10541	4.6
638.11285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06765	0.8
57.03312	2.8
59.01244	11.1
65.00188	7.9
71.01221	9.1
73.02815	3.0
75.00745	3.7
80.92316	1.1
81.03323	4.8
83.01254	4.1
85.02805	18.7
87.00728	4.3
89.02308	1.2
95.01260	4.7
96.95883	2.6
97.02832	1.2
99.00721	8.0
101.02355	1.5
103.00198	2.7
106.04092	1.2
107.01257	12.3
109.02827	3.8
113.02306	29.3
115.03825	1.6
117.01795	1.6
123.04385	32.6
125.02323	14.6
129.01915	1.2
131.51582	1.2
133.02840	6.8
135.04395	59.1
151.00259	71.5
152.00580	1.7
157.01280	1.2
161.02335	40.2
169.01439	2.3
175.02405	15.0
177.01894	4.3
178.05008	4.4
179.03461	2.2
179.05280	1.8
219.28757	1.3
229.08659	54.2
230.09100	1.9
236.03743	1.3
253.29169	1.6
255.06609	1.4
285.04007	18.3
286.04395	12.3
287.05576	38.0
301.03653	3.5
311.07712	2.4
337.05643	9.6
462.07764	4.0
463.08810	100.0
464.08929	3.1
524.17499	1.5
581.18823	53.0
582.19153	1.8
638.19470	1.5
639.12921	13.5
639.28888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55350	0.9
55.11308	1.0
56.27471	0.8
57.03328	2.1
59.01244	10.4
59.01457	0.8
61.80974	0.9
65.00175	5.6
71.01237	8.5
72.99183	1.8
73.02820	1.6
75.00344	1.1
75.00758	4.2
75.46812	1.1
81.03308	7.4
83.01272	3.9
85.02807	19.5
85.03281	1.4
85.17071	1.0
87.00779	3.9
89.02309	1.6
91.73350	1.6
93.03341	2.2
95.01274	4.2
96.95906	2.2
97.02836	1.8
99.00724	7.6
101.02325	2.3
103.00275	4.0
106.04127	1.2
107.01241	13.1
109.02853	4.0
113.02310	33.2
115.00237	2.1
115.03894	1.4
117.01836	3.1
123.00774	1.0
123.04392	36.1
123.05254	1.8
125.02309	10.6
129.01839	1.4
133.02798	7.4
135.04396	52.5
148.67010	1.1
151.00256	83.4
152.00690	1.2
157.01392	1.7
161.02338	43.9
162.02609	1.1
167.92972	1.0
169.01413	2.6
175.02402	15.5
175.03767	1.5
176.81123	1.3
177.01784	5.5
179.03493	2.9
191.27542	1.1
229.08678	56.1
273.07895	1.3
285.03958	11.1
286.04410	9.7
287.05649	35.3
288.06088	1.4
301.03751	3.8
302.60593	1.3
311.07843	2.5
337.05652	9.1
461.07394	2.1
462.07880	1.5
463.08813	100.0
464.09494	3.7
581.18799	54.0
582.19879	1.4
604.09271	1.3
639.13391	15.7
653.94128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94444	0.6
59.01229	1.2
62.25138	0.6
63.62218	0.5
65.00191	1.0
65.23173	0.6
83.01244	0.7
85.02792	0.7
89.33212	0.8
100.26002	0.6
107.01250	1.3
113.02298	1.2
133.02818	8.2
140.82233	0.7
149.02228	1.0
151.00250	5.5
166.91069	0.6
175.03918	2.9
182.31235	0.6
191.17239	0.7
199.03922	2.3
217.05121	0.9
229.44894	0.8
243.02980	0.7
255.02850	0.9
272.21680	0.7
284.03214	1.3
285.04059	100.0
286.04382	2.4
294.50000	0.8
340.99814	2.2
399.07755	0.9
461.07285	32.0
462.07907	1.5
479.08096	1.1
499.02252	0.9
585.47821	0.7
653.57800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30974	0.2
59.01228	0.9
71.01231	0.3
77.27787	0.2
80.52347	0.3
84.24166	0.3
103.82459	0.3
108.85688	0.3
131.42506	0.3
132.23416	0.3
139.86302	0.2
149.70041	0.3
175.72101	0.3
259.20639	0.4
269.97482	0.3
277.21738	100.0
278.22025	2.4
301.51547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39798	0.9
53.28464	1.0
57.03317	19.5
59.01237	1.3
61.98692	51.6
62.64841	0.9
73.50208	1.0
95.16876	1.3
96.95873	1.7
99.04380	21.7
101.02319	5.7
121.02834	22.6
122.03602	9.6
125.02320	18.0
177.54211	1.2
239.26503	1.2
258.08963	8.7
261.98785	1.4
272.10638	6.8
273.11331	100.0
274.11679	2.6
417.15588	8.8
433.01770	1.4
435.16653	5.3
468.36816	1.5
579.21008	3.9
642.86975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73962	1.2
57.44898	1.2
58.99940	1.4
59.01241	100.0
66.97060	1.2
91.73406	3.0
102.80769	1.2
109.34759	1.3
131.64691	1.5
132.98083	1.5
134.68820	1.2
134.96954	3.2
136.93950	1.8
140.73135	1.4
157.03455	3.1
159.01344	6.6
160.66997	1.4
174.99156	20.1
176.98059	8.7
178.94955	1.9
201.02483	69.3
202.02742	2.0
203.48558	1.4
212.29517	1.6
217.00261	96.6
218.00681	2.8
269.05609	1.5
276.98322	4.0
282.06061	1.8
290.35901	1.7
343.03650	15.1
359.01508	66.8
501.02692	6.2
516.40625	1.8
527.02777	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	643.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
57.24899	0.2
59.01234	2.2
60.30796	0.2
63.02264	0.5
65.00176	0.8
66.02821	0.2
71.01243	3.8
72.99167	0.4
73.02796	0.3
75.00704	0.5
85.02805	3.6
86.00753	0.2
86.06197	0.2
86.95628	0.4
87.00716	0.7
89.02274	0.4
91.72784	0.4
95.01228	0.6
96.95867	0.3
99.00742	1.3
99.20359	0.5
99.21026	0.6
103.00212	0.7
105.03329	0.3
105.21631	0.2
107.01229	2.1
113.02304	3.7
115.00282	0.6
117.01811	0.3
117.03326	4.2
149.02307	3.7
151.00247	5.5
152.45329	0.3
153.01567	0.5
159.04405	1.1
161.02292	0.6
163.00316	0.4
175.02345	0.9
181.06511	0.8
183.04291	0.6
185.02277	0.3
197.93257	0.3
201.05560	0.7
203.03406	0.4
224.04732	0.6
225.05539	2.3
227.03404	0.8
239.03418	0.3
241.05153	0.4
268.03775	14.4
269.04562	100.0
270.04935	2.0
281.04605	1.5
282.05252	1.2
283.06171	3.0
290.01987	0.4
291.02765	8.7
293.04715	0.3
303.02734	0.9
305.04205	0.4
309.03885	1.5
311.05670	4.4
314.04385	0.3
323.05447	1.1
333.03790	0.9
341.06613	0.6
353.06595	0.5
467.05942	28.8
468.06268	1.0
481.41022	0.3
509.06671	0.5
643.09222	41.6
644.09839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68630	0.6
52.98284	0.6
57.71362	0.8
59.01232	2.9
61.98694	1.4
63.50455	0.6
71.01259	3.8
73.02791	1.8
73.65060	0.7
73.69813	0.8
81.03326	10.7
85.02812	1.8
86.45171	1.6
86.45642	1.1
87.00721	1.4
89.02329	1.1
93.03306	3.0
95.01192	0.8
95.87041	0.8
96.95869	1.1
97.31388	0.7
99.70428	0.7
101.02290	2.5
106.04107	2.4
108.02093	0.9
109.02813	2.3
110.75252	0.8
113.02318	2.2
122.03589	1.2
123.00872	0.8
123.04385	53.6
130.18721	0.8
131.03363	1.0
138.03102	1.2
196.45982	0.9
229.08667	88.3
230.09038	2.7
234.22043	0.8
255.06706	1.3
273.07642	1.2
279.53674	1.0
303.33627	0.9
422.13611	1.5
581.18799	100.0
582.19122	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26939	0.9
59.01247	2.6
60.06072	1.1
78.95753	19.5
91.73280	1.5
105.33535	1.2
108.11725	1.2
111.01846	2.0
114.94019	1.2
157.09442	1.4
164.62000	1.2
198.90469	55.2
199.90677	1.3
200.92104	3.7
201.02602	1.5
216.91594	8.0
223.87816	1.6
223.90019	31.4
224.92105	1.6
230.96629	1.3
239.90781	3.5
240.91553	24.9
241.01117	1.6
241.91518	1.6
244.91275	1.4
252.91600	2.5
254.93193	1.6
258.92697	4.9
265.94843	3.2
270.92465	2.9
291.92636	2.8
292.92215	36.7
295.92020	1.5
309.93781	4.8
310.93576	1.7
312.93665	1.5
330.94852	2.2
341.52713	1.6
351.94852	1.6
363.94693	7.5
381.95856	8.0
382.35907	1.4
399.97064	5.3
406.95547	1.8
417.97971	2.7
424.96558	16.6
442.97510	100.0
443.97632	4.0
522.66827	1.5
587.01837	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	647.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53647	1.8
58.41729	1.8
59.00971	3.4
59.01244	51.0
59.71928	1.8
62.49844	2.0
71.01241	38.2
73.02808	4.3
81.03305	2.1
83.01234	6.1
85.02805	12.3
87.00739	10.6
89.02297	42.1
91.72997	3.8
95.01269	2.0
96.46267	1.8
97.02809	6.1
101.02298	40.5
108.21455	2.2
113.02299	20.1
115.03858	2.2
119.03358	11.3
125.02310	8.8
127.60356	2.6
143.03366	5.2
161.04396	11.2
179.05548	7.9
235.08243	14.0
249.18593	100.0
253.09135	11.4
288.13727	3.3
334.14307	33.2
374.35422	2.3
379.12143	2.7
397.13535	94.6
415.14624	38.4
439.37070	2.9
488.08850	2.4
548.29285	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	649.1934
Annotation	Achyrodimer B
Peak:m/z	Relative Intensity
54.42378	1.0
61.43743	1.0
62.47553	0.9
93.03323	2.1
95.01241	6.8
96.95869	4.1
97.50703	1.2
108.02037	10.0
119.04002	1.2
119.04896	1.3
123.00745	21.1
124.01531	29.5
125.02311	3.3
134.06050	1.1
160.98132	1.1
168.00536	3.4
176.83995	1.3
180.05663	1.1
209.05966	2.0
211.07480	1.4
213.05443	2.0
214.06306	3.4
227.07083	6.1
228.07907	1.7
229.08659	22.0
315.10217	1.4
317.11594	1.2
333.11441	2.8
335.12955	15.1
443.14978	16.3
469.13040	10.1
487.14005	100.0
488.14233	2.3
654.18323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1935
Annotation	Achyrodimer B
Peak:m/z	Relative Intensity
55.88418	1.1
68.75296	1.0
72.02534	1.2
73.24654	1.2
93.03329	1.2
95.01254	2.6
97.95217	1.2
99.55998	1.3
107.01262	7.9
107.04886	8.0
108.02044	9.2
109.02832	4.4
115.28330	1.2
121.02821	15.1
123.00751	8.2
123.04402	5.8
124.01540	23.6
125.02312	3.7
137.02325	2.1
149.99495	1.7
151.00259	5.1
159.90579	1.2
169.01347	11.3
169.06366	1.9
185.05986	2.8
196.05313	1.6
197.06009	7.4
211.04068	2.1
211.07594	1.5
212.04744	3.3
213.05537	3.3
214.06310	14.8
215.07039	8.9
219.90889	1.4
228.07919	5.4
246.05376	6.4
260.06973	3.4
265.53528	1.3
269.07111	1.4
274.10074	2.0
313.05643	9.8
318.09479	2.0
319.09891	3.0
320.10565	8.0
331.06812	3.5
333.11224	1.4
335.12912	21.8
397.14722	1.6
425.14041	22.7
443.09094	1.9
443.15048	29.6
469.13098	3.4
487.14038	100.0
488.14120	2.9
526.29932	1.5
649.19391	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45743	0.6
59.01236	1.8
59.40707	0.6
61.98690	1.4
62.98277	0.7
199.07069	0.7
299.20157	100.0
300.20462	2.3
380.65778	0.8
649.25085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97778	0.3
52.19067	0.3
53.04163	0.3
53.97768	0.3
59.01231	1.2
62.39285	0.4
65.00180	0.8
71.01251	0.9
72.99155	0.5
75.00718	0.5
80.10616	0.5
83.01221	0.5
85.02804	1.3
87.00713	0.6
93.49478	1.0
93.50076	0.7
95.01238	0.9
95.45691	0.3
96.95874	0.8
99.00703	1.4
102.18166	0.4
107.01251	1.1
109.02794	0.9
113.02294	1.8
120.69724	0.4
121.02814	1.1
125.02331	0.4
133.02824	4.5
135.04391	2.5
136.98653	0.9
137.02335	2.9
139.00217	1.5
149.02325	1.2
151.00267	4.2
161.02299	0.5
163.00235	0.7
164.98199	0.9
165.01857	1.9
166.99727	1.4
175.02379	0.8
175.03906	0.7
178.99760	1.5
187.03851	0.8
193.01363	0.9
193.03387	0.6
201.01932	0.5
201.05560	0.6
207.09616	0.6
211.04037	0.5
215.03381	1.0
227.03488	1.3
229.05019	0.9
239.03464	0.8
245.04765	0.6
255.03015	3.0
257.04654	1.0
273.03949	0.9
283.02570	2.2
285.04016	3.7
300.02695	1.8
301.03540	100.0
301.17163	1.0
302.03802	3.6
373.05554	0.6
461.07089	0.9
477.06757	39.5
478.07126	1.5
653.09949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43383	0.3
59.01231	1.1
65.00179	0.9
67.69234	0.4
71.01235	1.7
74.80406	0.4
75.00735	0.4
83.01226	0.5
85.02798	1.8
86.84124	0.4
87.00735	0.8
89.02254	0.5
91.73337	0.6
92.75487	0.4
93.49483	0.9
93.50086	0.8
95.01231	0.8
97.21880	0.4
101.41989	0.3
103.00261	0.5
106.79266	0.4
107.01259	1.3
109.02813	0.5
111.00696	0.9
113.02303	1.8
120.53907	0.4
121.02827	0.9
123.00778	0.4
125.02335	0.4
133.02820	5.0
135.04390	2.3
136.98659	0.6
137.02327	2.2
139.00266	1.5
149.02298	1.3
151.00264	4.6
159.04362	0.5
164.98233	1.0
165.01843	1.5
166.99739	1.4
175.03885	0.6
175.61449	0.4
178.99820	2.1
185.06046	0.5
186.20462	0.4
187.03880	0.9
190.99814	0.7
191.03421	0.6
192.00606	0.8
193.01323	0.7
193.03328	0.4
201.01881	0.8
201.05507	1.3
207.09828	0.5
211.03986	1.1
212.35181	0.4
215.03488	0.9
217.04854	0.5
220.23009	0.4
227.03520	1.4
227.39099	0.5
229.05026	1.0
234.50955	0.4
239.03418	0.9
245.04501	0.5
255.02972	2.3
257.04572	1.1
271.02469	0.6
273.04251	0.6
283.02521	2.1
285.04062	2.5
300.02759	1.6
301.03552	100.0
302.03735	1.3
315.05167	0.5
343.04645	1.2
365.50269	0.5
461.07333	1.4
477.06772	36.2
478.07254	0.9
495.07663	0.6
570.08435	0.5
653.09137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00880	0.3
54.17235	0.3
59.01240	0.9
61.88033	0.2
63.63821	0.3
65.00189	0.4
71.01246	0.8
71.15182	0.2
77.92787	0.3
85.02811	0.9
93.49499	0.8
93.50083	0.6
95.01276	0.4
96.95869	0.3
99.00748	0.6
101.02332	0.4
109.02824	1.1
111.00777	0.9
113.02335	0.7
123.00738	0.7
128.15686	0.4
133.02832	6.3
135.04405	2.5
136.98698	0.7
137.02316	3.1
137.10211	0.3
139.00273	3.2
151.00307	0.4
160.03944	0.8
163.00262	0.7
164.98189	1.9
165.01840	2.8
165.98851	0.6
166.99779	2.5
175.03941	0.9
185.06038	0.4
187.03967	0.7
190.99829	0.6
192.00574	0.7
199.03786	0.4
201.01892	0.5
201.05487	1.1
203.03426	0.3
207.09645	0.6
211.03925	0.7
213.01949	0.3
215.03450	0.4
215.10106	0.3
227.03517	0.8
229.05038	1.1
239.03409	0.4
255.02925	2.9
257.04559	0.5
283.02493	1.0
300.02740	0.9
300.89673	0.9
301.03552	100.0
302.03915	2.5
448.15414	0.3
477.06781	38.7
478.06931	1.5
653.10272	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97956	0.6
56.73654	1.2
61.83557	0.7
66.03350	1.2
70.02835	11.3
71.01248	2.4
72.00784	1.1
81.02064	0.9
84.45508	0.7
85.29015	0.9
86.02352	1.0
87.05489	2.5
89.63099	0.8
96.00767	12.5
96.08054	1.0
96.95837	1.3
97.03969	1.5
98.02345	4.2
108.03124	3.7
108.08040	4.1
109.01588	1.2
109.03940	1.7
111.01873	2.4
113.03440	11.3
114.01836	12.8
114.02583	1.2
114.05469	77.7
114.08781	1.2
115.25216	1.0
115.92414	0.8
122.09615	7.5
124.07539	1.3
125.05827	2.0
129.10207	11.3
131.04514	3.1
133.02756	1.8
138.09151	2.6
139.08649	4.4
150.05492	1.6
152.07014	1.6
153.10233	2.9
155.08087	3.7
155.11790	1.3
163.08698	2.2
165.10229	41.3
166.08627	28.6
166.09808	11.0
167.08165	13.9
167.11769	6.3
177.10248	3.3
178.08560	0.8
180.11269	1.0
181.09801	2.1
182.12932	3.6
183.11319	9.9
184.10803	2.1
191.08203	6.7
192.08998	2.4
195.11314	14.1
200.14046	3.1
205.13408	18.7
208.10857	33.3
209.09251	41.5
211.07133	1.0
213.12407	1.8
226.11934	39.1
227.10324	21.3
231.11481	1.0
235.07040	0.8
244.12999	35.3
249.12401	6.2
255.02777	1.2
266.18762	8.0
275.10416	1.2
281.11569	0.9
285.04156	1.2
292.12961	0.9
293.11475	1.9
301.03537	25.5
302.03885	1.8
310.14246	1.8
310.17654	14.4
320.19757	1.8
324.12152	1.7
336.50876	1.1
342.13089	41.1
408.17825	6.2
425.20526	1.7
441.21365	2.4
459.22125	1.1
477.06760	6.6
494.26022	1.3
520.24030	4.4
538.24719	10.6
618.27948	3.8
626.43982	0.9
635.30402	8.7
636.28992	6.0
653.31567	100.0
654.32025	4.4
675.61243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.2
55.08603	1.2
56.19483	1.3
58.00440	1.5
59.01240	39.8
59.66290	1.1
69.03293	2.3
71.00874	2.2
71.01239	27.3
73.02805	5.1
77.59335	1.2
79.14522	1.3
83.01248	3.5
85.02805	6.6
87.00720	6.3
89.02296	29.1
91.72698	3.2
95.01225	1.7
95.88038	1.2
96.76326	1.2
97.02805	5.4
98.32928	1.5
99.00734	3.0
101.02300	27.5
101.33279	1.3
113.02279	11.7
119.03369	10.4
125.02319	13.0
143.03371	5.2
149.24094	1.3
161.04417	5.6
179.05522	5.3
221.06631	1.9
235.08200	13.6
253.09401	3.3
255.23274	100.0
277.09253	2.5
287.07840	2.3
300.83914	1.7
305.08804	4.8
397.13516	80.3
415.14645	24.4
571.28619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23071	2.0
51.31694	2.0
55.01756	2.5
59.00970	2.8
59.01244	39.1
68.54861	2.3
71.01234	27.8
71.43513	1.8
73.02825	5.4
83.01263	3.5
85.02818	6.0
87.00735	6.7
89.02293	35.1
97.02809	5.4
99.00710	2.6
101.02299	25.7
113.02307	13.7
118.75135	2.7
119.03397	7.6
125.02321	8.6
136.89958	2.6
143.03409	6.5
161.04456	5.7
179.05563	6.8
211.57887	2.5
212.29030	2.5
226.03122	2.6
235.08266	9.7
255.23285	100.0
263.07840	3.4
274.66849	2.6
287.07742	2.9
305.08710	5.3
320.98630	2.3
397.13538	81.7
415.14563	31.8
634.34778	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	653.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
57.03304	1.3
57.55315	0.5
58.00445	1.0
59.01242	46.1
59.02372	1.1
64.45786	0.4
66.28034	0.4
68.20261	0.5
69.03289	2.5
69.09959	0.5
71.01238	31.0
72.99142	1.6
73.02803	4.9
75.00713	0.8
78.62759	1.2
78.63151	0.7
81.03294	2.4
83.01251	4.4
85.02805	6.7
87.00726	7.6
88.57941	0.6
89.02297	35.5
89.83020	0.6
91.03898	1.0
95.01241	2.3
97.02808	7.4
99.00715	2.2
101.02303	30.8
109.02766	0.9
111.00698	0.8
111.04354	1.5
113.02303	14.7
115.03850	0.8
116.05136	0.5
116.99187	0.5
119.03367	10.0
121.02783	0.8
124.01472	0.5
125.02319	11.8
131.03334	1.5
131.97334	0.5
133.04906	1.6
137.02327	0.5
139.03856	1.1
143.03377	5.1
149.04404	1.3
152.05374	0.6
156.26772	0.8
161.04451	7.1
167.03319	0.7
169.04970	1.8
179.05524	6.4
217.07065	1.1
221.06525	2.5
235.08206	13.4
253.09328	2.2
255.23291	100.0
256.23700	2.1
263.07794	1.1
277.09250	0.9
287.07751	3.6
305.08835	3.8
318.02902	0.9
323.09930	1.4
379.12338	0.7
397.13535	83.7
398.13879	1.5
415.14581	31.0
531.07800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
91.35130	4.7
108.98403	3.5
114.03326	4.3
132.42088	3.8
169.42653	4.0
191.25792	4.1
216.76059	4.1
615.76288	4.6
653.33319	5.6
653.44189	100.0
654.45203	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	655.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58652	0.3
57.75179	0.3
59.01241	1.8
62.96759	0.3
65.00191	0.5
67.54506	0.3
70.34716	0.3
71.01231	2.0
72.99174	1.7
73.02808	0.9
75.27946	0.3
83.01244	0.4
85.02806	2.5
87.00727	0.6
89.02316	0.7
89.33148	0.8
96.10656	0.3
101.02312	0.8
103.00243	0.6
107.01228	1.6
113.02309	3.6
115.00179	0.4
129.60651	0.3
131.03378	0.9
133.01311	0.5
133.02817	6.2
149.02315	1.5
151.00256	5.2
175.02452	0.7
175.03880	3.2
193.03448	4.8
199.03949	1.7
201.01913	0.8
217.04987	1.7
241.04996	1.0
243.02943	0.6
255.03015	0.5
256.03690	0.5
257.04529	0.6
283.02502	0.5
284.03268	1.1
285.04062	100.0
285.17126	0.9
286.04343	2.8
347.82669	0.3
461.07291	36.2
462.07684	1.2
475.14053	0.4
479.07996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12067	1.0
57.03323	1.1
59.01236	1.2
60.87321	1.2
70.38400	0.9
71.01247	1.0
81.03311	13.3
83.02878	1.2
83.04881	56.4
85.02813	4.4
93.03310	12.7
96.95879	1.6
97.06480	1.2
106.04098	5.2
107.04901	3.8
113.02306	11.9
117.73426	1.0
119.04887	3.0
119.26886	0.9
119.31067	1.1
121.02842	1.8
123.04423	1.6
125.05957	89.2
126.06327	2.6
147.04195	3.4
151.03886	2.4
169.04971	69.5
170.05342	1.4
172.05147	1.2
173.05998	4.2
185.05882	1.3
187.07578	25.0
189.09151	2.6
195.06470	4.9
202.02417	44.2
209.05797	3.4
211.07428	3.0
213.09160	5.3
217.04779	75.7
227.06891	3.0
231.10225	8.6
235.05679	10.6
246.58975	1.1
253.08469	26.8
257.08191	19.1
275.09274	100.0
276.09631	3.8
279.06445	4.1
289.06964	4.0
297.07449	13.7
331.07761	3.0
379.10190	11.1
417.89050	1.2
450.33344	1.2
637.18549	2.1
655.20288	8.3
656.20538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21309	0.2
58.02560	0.5
58.02842	8.8
58.04100	0.2
65.08648	0.3
65.08936	0.2
65.63811	0.2
70.02838	12.9
75.33306	0.2
95.98381	0.7
96.00768	54.2
96.03472	0.4
96.95888	0.3
96.99154	0.7
97.01134	0.2
106.04108	10.5
106.06504	2.1
108.02042	1.2
109.38657	0.2
113.98726	0.3
114.01835	22.8
114.28835	0.2
118.06481	1.8
132.08066	0.3
138.03078	0.3
160.07642	0.4
167.86703	0.3
175.60298	0.3
212.10757	31.2
213.11018	0.5
224.10777	9.3
225.11003	0.4
238.12410	1.6
243.11719	0.3
245.61060	0.3
266.11823	0.6
267.11353	2.4
268.09857	1.0
285.03934	0.2
309.12469	11.2
327.13522	100.0
327.30713	0.7
328.13831	3.1
457.15048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16095	0.7
54.09481	0.6
54.64661	0.7
57.03307	0.6
59.01242	100.0
59.02422	2.0
60.72345	0.7
62.89227	0.6
64.89653	0.7
69.09075	0.7
71.01252	2.0
76.46089	0.7
80.05049	0.8
89.02309	1.5
92.93217	0.8
97.06456	4.2
101.02318	0.8
113.02352	0.9
115.63570	0.9
116.92793	0.8
116.97121	1.0
120.45892	0.8
123.08032	2.3
125.09592	31.9
141.01578	69.6
141.06058	0.9
167.46078	0.9
171.62679	0.9
174.05342	0.8
187.09683	26.3
249.18614	5.5
253.09337	1.3
275.06067	2.3
277.21786	2.5
309.29398	0.9
317.07309	0.9
355.48853	0.9
359.22046	1.8
405.17740	1.4
423.18628	5.4
473.29752	1.3
535.27350	1.9
625.75256	0.9
627.64545	1.0
655.37024	32.0
656.37781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09704	1.2
57.03305	3.6
59.01237	19.5
61.98677	1.9
68.31369	1.7
71.01221	3.2
75.99738	1.4
83.04875	1.9
89.02277	4.8
97.06439	13.8
101.02303	5.5
123.07992	5.6
125.09591	94.8
141.01544	4.4
145.42253	2.0
169.08604	2.9
187.09669	75.8
211.09592	1.9
211.89084	1.9
211.92647	1.8
249.18613	19.0
253.09444	2.3
400.58136	2.1
405.17612	4.9
423.18784	23.7
655.37054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61140	1.5
56.42012	1.9
59.01233	4.2
69.03297	2.9
71.01228	3.5
72.48643	1.6
73.39823	2.0
95.04883	35.5
97.06445	100.0
97.09032	2.0
98.84215	1.9
100.87399	2.3
101.02325	3.1
103.08325	1.7
115.07510	6.2
126.59207	1.7
128.05093	2.2
141.05486	2.7
159.06525	34.3
176.36562	2.2
235.08171	2.8
253.09496	3.2
275.56570	2.3
277.21747	38.8
284.66293	3.2
288.12360	2.0
340.48615	2.2
346.65070	2.4
377.14679	6.1
395.15558	6.2
655.37079	92.8
656.36859	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	659.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14053	0.4
59.01240	0.5
65.00184	0.9
68.96534	0.5
71.55312	0.4
91.16980	0.9
91.17518	0.8
96.95926	0.7
103.73424	0.6
103.73992	0.6
107.01258	1.6
124.77993	0.4
129.24847	0.5
133.02814	5.5
149.02319	1.4
151.00252	5.4
175.03914	2.4
182.97998	0.5
185.06143	0.6
199.03960	1.9
201.01938	0.9
217.04990	1.6
241.05116	1.0
243.03111	0.8
255.02995	1.2
256.03745	3.0
257.04584	0.8
269.04416	0.6
283.02521	0.6
284.03250	19.4
285.04059	100.0
286.04462	1.3
297.04056	1.2
298.04614	0.8
299.05710	0.6
307.02249	13.6
319.02243	0.8
325.03607	0.7
327.05093	1.4
339.01352	0.6
483.05466	44.4
484.05804	1.6
597.06842	0.6
659.08734	32.7
660.09277	1.1
681.17346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.087
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71075	0.5
76.31461	0.5
87.23640	0.6
89.43513	0.7
91.16965	1.2
91.17467	0.8
107.01251	1.4
133.02811	4.8
149.02290	0.7
151.00264	5.6
169.38226	0.5
175.03909	1.9
199.03932	2.6
215.03326	0.7
217.05042	1.5
243.02963	0.6
255.02957	1.6
256.03775	2.9
257.04480	0.8
283.02490	1.6
284.03256	20.2
285.04059	100.0
286.04370	2.3
297.04059	1.9
298.04721	1.0
306.01688	0.8
307.02255	15.8
307.05563	1.2
325.03329	1.7
327.05060	2.4
339.01291	1.3
399.07336	0.9
483.05466	47.5
523.28723	0.7
659.08783	33.6
660.09473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83049	0.4
55.16520	0.5
61.70395	0.4
65.00172	0.6
68.72475	0.5
71.27899	0.4
90.98267	0.5
91.16998	1.2
91.17519	1.0
97.33630	0.5
103.73414	0.9
103.73981	0.7
107.01249	1.7
116.36858	0.5
129.10100	0.5
132.64761	0.6
133.02803	4.6
144.94426	0.6
148.04124	0.6
149.02307	1.1
151.00259	5.3
152.95567	0.6
163.94899	0.6
175.03914	2.7
176.24849	0.7
199.03917	1.9
201.01694	0.7
213.05505	0.6
213.08362	0.6
217.05106	1.0
238.15584	0.6
241.04970	0.8
243.03020	0.6
255.02930	1.7
256.03769	3.1
257.04504	0.7
283.02356	0.9
284.03271	21.8
285.04056	100.0
286.04324	1.7
297.03903	1.2
298.04642	0.7
307.02243	15.5
325.03616	0.8
327.05069	2.1
339.01233	0.9
349.03357	0.9
387.53406	0.6
399.07162	0.7
465.04211	0.9
483.05444	48.9
484.05966	1.3
641.07941	0.8
659.08740	38.0
660.08868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06784	0.5
64.30928	0.6
65.00167	1.3
87.51959	0.8
91.08015	0.7
91.52270	0.7
96.95878	0.9
107.01254	1.7
133.02808	5.8
151.00247	5.4
175.03918	2.7
199.03903	2.5
201.01889	1.1
217.04999	1.3
241.05077	1.1
243.03131	1.0
255.02946	1.0
256.03738	2.7
260.47876	0.8
267.93698	0.9
269.04770	1.0
284.03262	15.2
285.04059	100.0
286.04568	1.6
297.04053	1.5
298.04901	1.3
307.02289	9.1
327.05032	3.4
339.05011	1.3
349.03192	1.0
483.05450	39.0
484.05594	1.1
659.08704	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	659.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13935	1.2
59.01233	2.1
60.39243	0.5
60.53155	0.5
61.98691	0.8
65.07589	0.6
80.04893	1.1
91.72729	0.9
95.29872	1.2
96.95839	0.7
106.06482	17.0
108.04406	1.6
108.08061	1.0
122.05905	1.3
130.28311	0.7
132.04446	1.0
132.08092	0.9
134.05992	46.5
136.07573	2.0
150.05458	2.5
152.07065	5.3
160.03940	12.0
161.04555	0.8
162.05496	7.0
176.07083	3.0
178.05037	4.4
193.03612	0.7
210.05653	1.1
211.08760	1.8
225.10341	1.4
227.11880	3.9
239.08237	2.4
239.83716	0.8
240.10408	1.4
241.09825	4.6
251.11859	1.4
252.08998	2.0
253.09772	6.3
254.10506	1.3
257.12976	1.0
266.10690	0.9
267.11392	6.6
269.12985	7.0
277.09732	1.9
279.11371	2.1
285.12534	1.4
295.10938	6.1
311.10440	3.5
313.11963	54.1
314.12338	1.6
315.13675	1.2
339.13586	1.3
458.17191	5.9
474.16705	100.0
475.17032	5.5
476.18204	3.6
518.50824	0.8
611.31726	1.3
639.07184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89511	3.5
55.94747	2.9
59.01244	10.4
60.10819	2.9
72.48762	3.0
75.31364	3.5
80.04916	11.9
88.92903	3.4
90.79235	3.5
92.62132	3.9
94.44437	4.7
94.80636	3.2
96.95885	4.5
108.08051	5.7
121.05207	6.1
122.05975	7.2
134.06013	7.9
136.07556	70.4
137.04633	3.6
138.05513	4.7
150.05482	8.8
156.66263	3.8
175.04964	4.5
201.10292	12.4
213.10263	9.8
227.11905	6.1
229.09866	21.4
229.13437	18.1
239.11943	8.5
247.10881	4.6
255.02316	4.6
255.11490	11.0
273.12323	7.1
285.12622	3.7
289.11734	4.0
297.12476	10.6
301.11914	16.2
307.10742	5.5
309.12411	6.8
319.13025	79.1
353.11765	4.8
373.14835	4.2
374.14786	9.3
392.16348	10.5
427.91058	3.9
515.27179	5.1
541.24451	15.9
565.24701	6.4
583.25684	77.5
609.23230	8.8
627.24707	100.0
651.18750	4.6
659.27350	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	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72179	0.8
59.01242	8.2
65.92002	1.2
80.04921	9.2
88.95372	1.1
91.72707	2.3
94.02850	2.3
96.95872	1.4
104.04914	3.6
106.06496	2.5
108.04408	3.2
108.08046	4.2
120.08042	2.1
121.05196	5.6
122.05967	6.6
124.03914	3.9
132.04451	2.2
134.05998	4.2
136.03886	7.1
136.07559	62.6
137.04735	2.1
138.05475	5.2
147.05518	3.4
148.03951	3.3
148.59703	1.2
150.05486	8.0
152.07065	3.1
160.03868	2.0
161.03415	1.6
161.04657	1.2
168.06560	2.0
174.05533	2.7
175.05045	2.6
176.05676	1.5
190.05000	2.3
201.10283	16.3
211.08795	1.8
213.10251	8.0
223.08730	2.6
225.10394	1.5
227.11827	6.2
229.09837	21.9
229.13358	16.4
237.10341	3.1
238.11090	2.1
239.11839	12.4
241.09889	3.4
243.11339	1.5
245.12999	1.8
246.46326	1.2
247.10922	2.3
251.12010	1.5
255.11400	7.4
257.12985	4.7
267.11465	2.0
269.12576	1.5
273.12546	6.4
279.11292	2.9
281.13159	2.0
289.11996	5.2
297.12408	7.5
301.11917	20.8
302.90460	1.1
307.10931	3.7
309.12399	6.7
319.13013	87.6
327.13565	3.7
331.13150	1.9
339.13602	2.8
340.14438	1.5
344.03891	1.4
358.12064	1.8
359.12643	2.3
360.13580	2.0
362.15060	1.4
372.13412	2.9
374.15140	11.9
378.14719	1.4
386.11118	2.0
391.15402	3.8
392.16266	12.3
416.16278	5.8
433.16550	1.5
434.17175	4.8
446.17297	1.4
448.18719	4.0
515.26587	3.3
523.23370	2.2
536.20612	1.4
541.24567	22.9
542.25330	2.4
565.24432	6.2
567.22546	2.6
568.15192	1.4
583.25647	68.1
584.25708	2.8
586.24487	3.8
609.23315	3.8
627.24628	100.0
628.25116	3.9
655.05060	1.4
659.27313	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	659.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04202	2.2
57.64368	2.6
59.01235	3.1
65.46143	2.5
75.38609	2.5
80.04911	6.0
89.28909	3.2
96.95855	3.9
107.03639	7.8
108.04417	15.7
118.75146	2.8
120.04423	100.0
120.08060	42.4
122.05986	86.9
122.06822	6.1
132.04453	8.0
134.06006	6.5
138.05482	30.5
148.04042	3.8
150.05487	59.0
151.06209	4.2
152.07045	9.9
160.03906	3.6
162.05515	3.8
164.07086	3.9
166.04979	3.9
168.06566	37.8
185.71822	3.2
190.05023	11.0
192.62941	3.0
212.88425	3.4
213.10303	5.5
223.08678	15.3
223.12178	3.4
224.09662	5.6
225.10393	4.9
235.08723	5.4
235.12383	6.1
235.35710	3.3
237.10323	22.5
238.11073	4.8
239.11919	12.9
241.13506	4.3
249.06645	6.0
250.07474	3.9
251.08287	10.4
251.12003	15.4
262.07587	4.4
263.08307	16.2
263.11896	3.7
264.09079	28.4
265.09732	12.9
276.08963	8.6
277.09854	13.7
278.10535	8.8
279.11371	74.0
280.12070	5.9
281.09503	6.4
281.13040	6.0
283.10526	4.0
291.11362	21.4
292.11957	4.0
293.09311	7.4
293.12762	4.1
305.09308	4.8
309.08615	3.6
322.09525	4.2
323.10379	12.7
323.71246	3.6
324.11307	8.4
339.09723	6.4
356.14038	4.0
360.17206	4.9
370.15619	7.4
388.16470	7.3
400.16705	4.2
402.18277	9.9
412.16672	11.8
414.18192	7.0
416.16119	5.9
418.17853	8.2
424.63269	4.0
430.18085	4.6
442.17563	10.4
446.17068	7.5
460.18976	9.1
464.18100	5.6
474.16809	7.3
475.17416	4.4
486.16669	20.1
487.17386	12.4
504.17749	16.1
505.18637	5.6
506.19269	13.5
518.19403	27.1
535.23895	4.1
536.20313	41.0
553.24744	11.1
565.24414	34.9
579.22852	5.3
583.25653	19.4
597.23529	34.2
609.23523	85.8
610.23737	4.1
621.24615	4.0
627.24628	85.6
629.26202	17.0
641.26215	28.4
659.27155	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	659.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01701	0.4
55.71720	0.4
59.00069	1.9
59.01242	100.0
59.02560	1.0
63.14378	0.6
63.14719	0.4
63.15158	0.4
78.95698	0.4
107.81036	0.4
176.04085	0.5
230.90385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98471	0.9
59.00048	2.1
59.01242	100.0
59.02537	1.6
67.52173	0.9
79.44230	1.0
85.23583	1.0
91.72899	1.1
97.77228	1.0
100.56878	1.1
100.97693	1.0
101.96456	1.0
189.09413	1.1
193.83217	1.3
314.68213	1.1
323.45883	1.3
497.57239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15247	0.2
59.00069	2.0
59.01242	100.0
59.02570	1.2
60.01591	0.2
68.05859	0.2
78.95799	0.2
79.95325	0.2
108.60349	0.2
119.80051	0.2
133.77103	0.2
194.13800	0.2
541.37494	0.4
563.38995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	9.3
70.05486	1.0
73.86980	1.0
78.95776	1.8
80.04918	2.3
94.02839	3.1
103.36176	1.1
106.06488	3.9
108.04430	3.1
108.08110	1.2
120.04445	1.6
120.08105	3.3
122.05951	7.6
124.03939	4.3
132.04440	2.3
134.05978	7.4
136.03932	3.7
136.07552	16.3
137.04642	1.1
138.05496	5.8
146.06050	1.7
147.05521	4.7
148.07590	1.5
150.05490	4.1
152.07027	7.1
161.03456	1.8
175.05092	2.1
176.05824	1.7
186.12805	2.9
201.10237	18.9
211.08711	2.1
212.10892	1.8
213.10281	11.4
223.08804	1.4
224.09413	2.0
226.07339	1.3
227.11890	3.1
229.09798	28.0
229.13246	9.0
237.10291	1.3
239.11874	11.5
241.09773	4.2
243.07870	1.5
243.11380	1.7
245.12997	2.9
247.10875	5.9
253.13254	1.6
255.11382	3.8
257.13010	10.2
267.11557	1.9
269.13077	1.6
273.12430	3.5
275.13989	2.0
279.11392	1.9
283.14575	3.7
287.10532	3.2
289.11954	7.1
297.12469	12.1
301.12015	26.1
301.15485	2.8
317.11487	4.0
319.13004	100.0
320.13522	3.6
345.14630	2.5
370.15323	1.6
406.17371	3.0
539.23181	7.5
555.26093	7.7
569.24524	2.9
573.27094	2.3
587.25214	26.9
599.25177	55.1
600.25433	1.9
617.26251	79.2
618.26569	4.6
643.24042	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	9.7
78.95770	3.3
80.04910	2.8
106.06496	6.6
108.04433	3.5
120.04380	3.5
122.05991	11.2
124.03951	3.8
134.06044	8.2
136.03889	9.5
136.07559	95.3
138.05463	6.7
139.24893	2.9
145.60991	3.0
146.05975	3.6
152.07080	9.6
177.68021	3.3
179.03162	3.0
201.10266	16.8
213.10257	7.5
227.11931	5.1
229.09749	20.4
229.13379	7.1
239.11775	13.6
253.13341	3.4
255.11298	5.6
257.12885	6.3
267.11533	5.7
297.12408	8.6
301.11975	23.9
319.13028	73.0
388.16809	4.9
406.17728	24.6
525.24475	4.2
555.26068	14.4
587.25269	32.8
599.25159	69.6
600.25677	6.9
612.11267	3.3
617.26178	100.0
618.26514	4.3
664.65375	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	661.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08819	0.6
54.97379	0.6
59.01231	1.1
63.39939	1.5
66.07502	0.6
80.04922	2.8
82.02840	1.8
83.99419	0.6
94.02842	24.4
94.03443	1.2
96.04398	1.9
100.13993	0.7
101.77462	0.6
104.04912	1.0
105.13752	0.6
106.06484	1.4
108.04428	1.9
108.08056	4.6
110.05978	1.2
120.08069	21.3
121.05192	4.4
122.06012	1.8
129.65350	0.6
132.04404	2.6
134.05983	3.2
136.07564	100.0
137.04689	0.9
137.07816	1.6
138.05495	13.7
146.05936	0.7
152.07076	1.1
153.04181	1.3
160.03989	1.2
161.04675	0.8
164.07060	1.6
174.05545	1.6
185.12268	0.8
190.05023	3.0
211.12273	1.2
215.11952	0.9
223.08722	9.3
224.09456	2.6
225.10316	2.6
229.13469	3.2
234.08032	0.9
235.12387	1.6
236.09468	2.2
237.10260	6.3
238.11154	4.8
239.11856	9.0
241.13524	0.8
249.06711	1.9
249.10353	1.9
250.07509	1.0
251.08258	2.4
251.11929	6.6
252.08871	0.8
253.13431	1.7
261.10272	1.0
262.07611	0.8
263.08276	7.2
263.11575	1.1
264.09018	9.7
265.09885	3.8
265.13373	0.9
267.11517	1.3
271.10959	1.5
276.09021	2.6
277.09763	3.4
278.10544	4.4
279.11411	34.3
280.12109	2.8
280.59641	0.7
281.12903	1.9
291.11374	8.1
292.12164	3.2
293.12997	1.9
297.12347	1.7
305.09570	1.7
307.10867	1.5
309.12427	2.4
311.13995	2.2
323.10626	3.4
324.11209	0.9
325.12009	1.1
326.26367	0.8
334.15689	2.0
339.13483	2.0
356.14011	0.9
370.15408	1.6
372.17184	2.6
373.18024	1.1
376.16760	1.8
385.18253	1.1
386.18835	9.5
387.19525	2.4
388.20374	1.6
400.20419	2.0
401.21152	1.3
411.19662	1.0
414.18460	0.8
426.18347	2.0
427.19009	2.6
428.19843	10.0
429.20541	1.4
430.17679	0.9
432.19446	5.7
445.20111	3.9
446.21262	3.5
454.18094	0.9
455.18341	1.7
472.18866	18.3
473.19476	14.8
475.43741	1.7
504.21429	33.8
505.21768	1.5
525.25342	3.8
567.25922	4.0
569.24182	10.1
585.27386	4.2
601.26520	5.8
611.25281	13.7
612.25354	0.9
629.26276	82.7
630.26666	4.3
643.27948	4.5
661.28900	21.4
662.30231	1.5
667.35803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80139	1.4
57.35934	1.4
59.01249	3.9
70.20494	1.5
80.02560	5.3
84.51937	1.4
85.50529	1.7
95.04919	2.4
109.06496	2.0
119.04916	2.1
151.11147	2.0
161.09622	2.6
163.11171	17.0
163.12282	1.6
165.12738	8.3
179.22571	1.6
189.12900	7.4
191.14571	1.8
194.37338	1.5
217.15926	26.4
243.17583	2.6
271.20691	26.4
271.23422	2.2
297.18680	2.1
315.19684	100.0
343.42609	2.0
375.43201	2.1
427.50092	1.9
477.30817	2.1
529.40558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29802	0.5
55.30374	0.9
56.58438	0.5
64.12119	0.7
64.12462	0.7
65.00204	1.0
67.01781	0.6
69.03332	1.5
71.01263	0.7
80.02554	2.0
80.54958	0.6
81.03333	1.2
91.01750	0.7
91.72729	1.3
92.02533	1.1
92.41818	0.8
93.03316	23.1
95.01241	5.1
96.26611	0.8
96.95860	3.5
97.02795	1.0
104.31732	0.6
106.04134	2.2
107.01246	9.3
107.01867	0.9
107.04892	18.3
108.02037	18.9
109.02838	3.8
115.19644	0.6
119.04933	0.7
119.58904	1.1
119.59635	1.0
121.02816	23.2
122.03533	0.8
123.00748	15.6
124.01535	44.2
125.02333	5.9
133.52145	0.5
135.00763	0.9
136.01529	5.6
137.02330	15.7
137.79474	0.6
147.47292	0.7
149.02321	0.8
149.99477	3.1
151.00258	9.8
152.01089	2.2
159.45883	0.8
167.04984	1.3
169.01335	9.5
169.06561	1.8
171.04433	1.3
171.08058	1.0
173.06088	1.7
179.03407	1.1
185.06087	2.1
196.05203	3.6
197.06013	6.9
198.06812	11.1
199.03990	1.5
200.04839	0.8
210.06793	1.4
211.03944	1.6
211.07593	5.3
212.04750	1.3
213.05548	4.2
213.09142	0.8
214.06290	22.8
215.07076	13.0
226.02721	1.9
227.03549	1.1
227.07135	1.7
228.07951	1.2
229.08875	1.0
230.05840	7.9
240.04314	1.5
241.05110	4.7
246.05310	8.0
291.10129	0.9
303.10284	0.8
305.11850	55.5
306.12244	1.9
313.05615	7.6
319.09824	2.9
320.10565	9.0
331.06628	3.3
339.13895	0.9
345.07687	2.1
349.10822	16.4
364.60074	0.7
395.13202	3.3
411.12311	0.9
413.13934	22.5
439.11926	30.4
440.12286	1.2
457.12964	99.2
458.13312	3.4
483.10953	11.6
499.13763	3.0
501.11957	100.0
502.12189	2.9
543.12970	2.9
619.18445	3.0
663.17279	19.8
664.17883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76578	0.3
50.82345	0.3
55.00315	0.5
55.30383	0.7
55.30624	0.4
72.25011	0.6
74.90054	0.6
80.02523	2.0
81.03313	0.8
84.29656	0.4
93.03318	6.0
95.01244	9.0
96.64964	0.4
103.57778	0.5
107.01255	1.3
108.02029	16.7
109.02834	0.9
119.04884	1.5
119.58904	0.5
119.59632	0.7
123.00748	28.4
123.97748	0.7
124.01533	56.3
125.02331	7.7
139.00247	0.4
151.00258	1.6
152.01004	1.1
155.08560	0.8
157.06528	0.5
168.00517	1.6
169.06610	0.6
171.08057	0.5
180.05725	1.5
181.06549	1.8
183.04472	2.5
184.05193	3.1
185.06053	0.6
189.19946	0.4
193.06540	1.5
195.04474	0.9
196.05244	2.2
197.06030	6.7
198.06769	3.9
198.99919	0.8
199.07574	65.6
200.07922	1.1
209.05975	0.6
210.06856	0.6
211.07605	3.9
213.05528	1.5
214.06311	4.9
218.55370	0.4
241.04955	0.6
243.06602	5.2
246.05330	1.8
255.06552	0.8
258.05389	0.8
277.08783	0.9
285.09271	1.2
287.10632	1.1
288.07693	0.7
303.10199	2.6
305.08328	1.0
305.11832	14.2
331.06174	0.9
347.09445	0.6
349.10849	32.1
349.59723	0.4
350.11154	1.3
391.11966	0.5
393.10754	0.5
395.12973	0.6
411.12491	1.2
413.14020	4.9
439.11871	19.6
440.12347	0.8
457.12970	82.4
458.13498	2.6
483.10675	4.0
491.06271	0.6
501.11948	100.0
502.12308	3.4
543.12939	0.8
663.17255	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	663.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73233	1.1
79.11556	1.2
92.77098	1.3
93.03304	1.4
95.01247	6.8
97.02853	1.2
107.01256	2.5
108.02029	8.3
109.02802	1.6
121.02839	1.3
121.98875	1.4
122.03601	6.6
123.00750	23.9
124.01532	72.1
125.02320	10.4
136.27211	1.2
168.00638	1.3
197.06033	3.2
198.06767	5.0
199.07532	10.4
200.08295	1.4
200.27214	1.3
209.38387	1.4
214.06314	6.1
229.08650	1.9
230.05905	2.0
230.59070	1.3
242.95840	1.4
304.89349	1.3
305.11856	19.5
320.10654	3.5
337.10773	2.6
349.10724	8.4
359.38940	1.4
392.43842	1.6
395.13196	1.5
413.13983	22.4
439.11996	14.5
457.12952	100.0
458.13556	1.9
483.10782	18.3
501.12003	24.1
543.13159	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	663.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	4.8
60.20329	1.5
70.36718	1.5
71.01231	4.4
71.74650	1.5
73.02794	2.3
81.03318	13.4
85.02828	2.3
87.00774	2.0
89.02328	2.2
93.03316	3.5
96.95864	5.1
106.64205	1.8
108.02029	1.8
109.02761	2.5
116.92712	3.0
123.04387	58.4
145.76035	1.8
161.74559	2.2
201.41153	1.9
229.08665	95.6
230.09074	2.8
251.06833	11.5
255.06767	2.4
277.04773	10.8
295.05920	5.6
390.53098	2.0
409.76926	1.9
457.11240	6.9
581.18787	100.0
582.19031	6.5
603.17114	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	663.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10880	1.6
53.07172	1.3
53.64104	1.4
59.01235	4.1
73.18879	1.8
80.04909	2.3
82.02834	2.0
84.87634	1.8
94.02840	53.4
94.03443	2.7
94.06487	3.6
96.04409	8.4
96.95856	2.9
105.05701	3.6
106.06487	15.9
108.04404	4.6
108.08050	4.5
120.04435	2.7
120.08056	94.7
122.05983	38.0
124.03880	1.7
124.07507	2.5
132.04434	18.8
134.05995	68.0
136.03990	1.9
136.07570	18.7
137.04694	2.6
138.05493	29.6
146.06024	7.2
146.09648	5.7
148.07625	2.9
150.05499	5.6
152.05821	2.3
152.07059	42.9
158.06105	1.9
164.07062	10.7
211.12349	4.1
213.10341	3.7
215.11826	2.6
217.13513	3.1
222.07968	2.0
223.08745	10.0
223.12436	2.2
224.09659	4.6
225.10295	8.6
229.09903	3.5
237.10266	12.8
238.11095	19.6
239.11943	10.7
241.13585	2.7
243.11441	2.3
243.15083	2.3
250.11201	3.6
251.11902	16.7
252.12665	5.9
253.13469	85.7
254.10570	2.0
254.13857	3.7
255.15024	2.1
259.10880	2.8
261.12479	4.3
265.13464	19.6
266.14450	2.2
267.11441	7.2
267.15094	2.5
269.13086	2.7
271.10965	2.6
271.28079	2.3
279.11380	18.4
280.11969	3.3
285.12436	5.3
297.12445	23.5
298.13162	2.6
303.13538	6.3
309.12421	2.3
360.17337	3.5
372.21002	4.0
385.18091	6.4
388.20374	6.3
400.20313	33.1
401.21085	6.7
418.21506	2.3
419.18674	2.5
426.18497	2.2
432.19189	28.1
433.19418	3.4
434.20831	2.7
444.19205	24.3
462.20392	70.0
463.21112	4.3
529.24548	9.6
541.24689	19.6
559.25574	19.6
571.25696	12.9
583.25586	23.8
589.26636	23.1
601.26740	100.0
602.27246	4.5
619.27820	96.4
620.27881	4.8
668.34161	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48358	0.8
53.79902	0.8
56.16474	0.8
57.03312	9.4
57.82272	0.8
59.00970	1.7
59.01242	23.7
71.00871	1.7
71.01239	25.4
72.01632	0.9
72.99153	3.4
73.02804	4.5
75.00726	19.1
80.37246	0.9
83.01244	2.1
85.02802	24.3
87.00735	6.4
89.02289	9.5
95.01240	3.3
95.69779	0.9
96.95886	1.5
97.02784	1.2
99.00739	8.0
99.04376	4.6
101.02290	7.9
112.99110	1.3
113.02306	39.2
114.41523	1.0
115.00229	4.6
117.01823	2.0
119.03365	2.9
120.95421	1.0
123.04437	1.1
125.02332	2.2
125.74546	0.9
129.01839	1.2
136.77417	1.0
143.03459	1.1
161.04436	2.6
175.02393	2.9
224.27504	1.1
229.09836	4.4
255.11481	1.5
260.65839	1.4
269.09354	1.3
327.08990	1.4
380.42270	1.3
489.23212	3.7
521.22394	29.3
522.22815	1.6
563.23517	16.5
577.22815	2.7
603.26740	4.2
629.22351	1.3
647.24646	2.0
665.26715	100.0
666.27216	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	669.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	6.5
59.01248	7.5
70.05859	6.8
70.61028	5.6
77.02768	6.1
85.02816	9.2
89.78654	5.9
92.97684	7.1
95.01208	7.6
95.50643	6.0
96.95875	6.4
99.00733	8.1
107.01269	9.2
113.02302	13.9
125.02291	10.9
133.02884	15.3
151.00264	21.4
153.01860	15.6
163.00284	16.2
181.01364	48.9
192.14601	6.8
193.03436	8.9
206.99281	8.4
217.34125	7.4
227.03577	7.9
242.36241	7.0
243.02983	16.8
245.04611	11.4
256.03760	7.2
271.02408	36.6
273.03857	12.1
284.03323	47.2
285.04044	100.0
286.04242	8.4
289.03439	9.0
297.04034	19.0
299.02039	64.2
300.02686	8.8
316.02179	8.9
317.03015	77.3
318.03424	9.8
319.62543	8.3
453.20837	9.1
460.06540	24.3
461.07300	29.8
462.07632	8.9
475.05038	16.0
493.06256	48.8
523.04089	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	670.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02833	8.4
59.71751	1.8
61.98684	5.5
63.82148	1.7
72.53276	1.9
74.02333	17.4
79.63787	1.9
83.69392	2.3
85.24197	1.8
86.02336	6.5
87.05500	5.3
92.04466	1.9
99.05496	17.8
101.07085	3.7
111.05477	2.2
112.03855	2.8
125.03424	4.0
127.04991	4.5
128.03421	51.0
130.67578	2.4
135.05499	6.1
141.06563	4.3
143.04515	73.7
145.06067	2.8
146.04459	6.2
153.06613	3.9
160.00644	17.9
166.09766	3.2
167.04555	4.6
167.08112	2.1
177.03285	6.0
179.04546	16.4
180.07759	2.3
184.10936	2.4
210.08777	15.5
228.09813	2.3
244.11446	2.3
254.07831	18.8
272.08951	34.1
288.06589	8.3
306.07666	100.0
359.52380	2.6
575.37354	2.6
670.30072	33.2
694.52759	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	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49506	0.7
59.01243	8.6
67.98888	0.8
68.99664	1.4
71.01237	11.5
72.99153	2.0
73.02805	2.0
79.73919	0.8
83.01234	1.9
84.08080	1.0
84.69578	0.8
85.02827	4.8
87.00695	1.3
92.02532	0.8
93.03310	12.2
95.01226	7.2
96.95853	3.1
98.95405	1.1
99.00721	10.3
99.59477	0.9
106.04119	1.8
107.04159	2.1
107.04885	39.9
108.01990	1.8
108.84976	1.0
108.85657	1.1
113.02312	5.8
115.00249	2.5
118.96452	1.1
121.02818	36.7
127.22138	1.0
136.03900	1.1
136.65770	0.8
137.02309	1.3
139.00258	7.6
157.01306	1.7
198.06795	27.6
200.04720	1.2
210.06689	1.1
211.07587	6.9
212.02945	1.1
217.00327	1.1
228.07857	1.1
229.08675	1.2
230.05817	17.7
303.07208	1.5
305.11853	100.0
306.12061	3.0
317.11307	1.4
321.08292	4.7
347.12775	2.1
349.10840	36.0
391.11948	2.2
406.20358	1.0
463.13943	1.2
560.24933	1.1
565.21069	1.7
609.19836	14.8
627.20947	1.6
649.51941	1.4
653.19159	8.8
671.19891	89.0
672.20032	4.9
688.73169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2686
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
58.53619	6.8
62.48120	8.1
66.45406	7.1
68.94946	9.5
72.67003	6.8
73.01815	7.4
78.95737	8.5
80.08447	7.5
109.33057	7.4
111.20550	9.0
162.31752	9.9
225.00546	8.9
329.98474	8.6
671.26703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63728	1.1
58.02837	6.4
67.32040	1.4
74.02334	14.4
81.22578	1.2
86.02324	4.7
87.05483	2.0
90.00034	2.4
90.29092	1.3
91.06435	1.2
94.43901	1.4
96.95860	17.8
99.05499	11.9
101.07053	2.1
108.11687	1.5
117.88005	1.4
127.04998	5.2
128.03406	40.3
130.59961	1.4
141.06604	2.6
143.04514	55.3
145.06076	2.7
146.04466	5.1
153.06581	3.4
160.00632	13.5
166.09740	1.9
167.04523	3.2
167.08180	2.3
177.03319	5.3
179.04539	12.9
181.06113	2.7
184.10863	1.7
192.07794	1.9
208.05986	1.7
210.08794	8.7
217.40027	1.6
254.07808	14.5
272.08908	25.6
286.97998	1.6
288.06668	8.9
306.07678	100.0
307.07941	2.2
319.16092	1.6
347.34085	1.7
525.09747	1.6
613.69995	1.7
672.31616	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	673.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27596	47.4
59.01194	49.7
59.65078	49.9
79.31945	55.5
80.80170	53.5
90.34176	53.2
92.58695	61.6
121.02847	100.0
369.92160	67.3
436.42990	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32613	0.8
70.25401	0.8
74.02303	1.5
82.02823	1.4
84.04409	2.3
86.02328	9.9
91.72649	1.6
102.98428	1.4
110.05863	0.9
117.03319	2.4
120.01125	10.2
123.27446	0.9
127.05033	2.2
127.08636	11.4
127.99609	1.3
128.03404	100.0
129.03740	1.2
145.02817	12.2
146.08121	2.4
153.06610	6.7
171.07648	34.6
213.03391	1.2
215.06738	3.7
231.04407	7.8
249.05493	73.4
277.12292	1.9
421.51822	0.9
423.15811	3.9
651.33807	1.2
652.37915	1.1
697.78528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34114	1.1
59.01246	9.2
66.85706	1.3
77.93395	1.3
80.04910	7.5
84.89433	1.1
91.72787	1.3
92.04935	1.7
94.02847	4.0
103.08600	1.4
104.04912	4.5
106.06498	7.9
108.04414	3.9
120.04407	16.1
120.08028	2.6
122.05994	14.7
123.03134	1.4
124.03915	4.1
132.04433	11.8
134.06006	27.9
135.03226	1.6
136.03929	5.1
137.04706	2.7
138.05495	5.0
147.05516	4.2
148.03931	5.9
150.05504	51.3
150.44571	1.6
152.07120	3.2
158.26048	1.3
160.03989	1.9
161.03442	2.1
174.05553	3.7
175.05052	3.7
176.03467	2.0
190.05037	5.1
200.11005	1.6
201.10281	19.8
206.32236	1.5
211.08826	2.4
213.10263	12.5
214.07382	2.1
223.08768	4.1
225.10303	6.4
227.08279	2.6
227.11879	7.8
228.09023	1.8
229.09811	27.2
229.13348	10.2
231.53395	1.5
235.08766	2.5
237.10316	2.7
239.11905	8.7
241.09854	4.4
242.10602	1.7
243.11314	10.1
247.08731	2.3
247.10988	3.4
249.06682	2.0
249.10333	6.5
251.12053	1.8
253.09900	1.6
255.11320	6.7
257.09436	3.6
257.12891	6.4
261.06720	2.3
263.08228	3.3
265.09903	3.2
267.11475	4.4
271.10782	8.5
273.09418	1.4
273.12457	6.7
276.08759	1.6
277.06134	1.9
277.09698	2.2
278.06787	2.3
278.10114	1.6
279.11166	2.4
281.09387	2.2
289.11911	6.7
291.07834	2.9
291.11270	2.8
293.09378	18.2
299.10318	12.0
301.11920	23.4
301.15076	2.1
302.12076	1.6
304.08524	2.3
305.09375	4.3
309.08932	1.5
309.12427	2.9
311.10263	3.1
317.11481	30.3
319.13062	84.4
320.13654	1.6
321.08865	19.9
323.10486	3.2
327.13510	3.9
331.13763	1.7
332.14050	2.2
335.10468	2.1
343.69504	1.6
344.14337	1.6
353.11420	11.1
358.11841	2.6
359.12796	3.1
370.12018	2.5
372.13547	5.4
374.15213	12.2
386.11346	2.3
391.15466	1.7
392.16238	15.9
400.13138	2.6
403.14981	2.4
414.14697	2.8
415.15552	1.6
416.16226	8.1
418.14603	3.8
430.14191	2.0
432.15869	8.2
433.16580	1.8
434.17300	6.3
442.41397	1.6
444.15820	2.9
446.17023	2.6
519.20367	5.7
537.21558	4.6
549.21045	4.3
555.22363	12.3
561.21289	3.4
567.22571	20.3
579.22589	36.8
595.21759	2.3
597.23608	35.7
600.21979	1.9
611.21423	24.2
623.21497	39.8
641.22626	100.0
642.22754	4.5
643.24255	9.7
655.24231	22.2
673.25220	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	675.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30206	0.9
59.01241	4.8
59.45108	1.1
62.06179	1.0
94.02835	2.2
96.95884	2.3
97.35867	1.6
106.06506	1.7
108.04429	3.1
114.49607	1.3
122.05980	12.5
134.05975	10.9
136.03960	5.6
136.07549	13.2
138.05528	4.4
139.35597	1.2
150.05508	12.2
152.07083	3.5
165.08987	1.5
186.09128	3.4
192.89738	1.6
202.07332	3.2
202.12386	3.2
212.10757	2.3
215.08107	2.5
227.11768	2.0
228.10324	3.5
229.09776	18.1
230.12030	12.7
244.08635	2.0
245.09381	4.4
251.11923	2.2
255.11438	3.2
257.09317	7.5
273.12473	26.2
279.11487	3.6
289.11859	1.4
297.12512	1.8
313.12073	3.0
317.11414	24.2
319.13037	1.9
323.10516	1.6
334.94632	1.5
335.12512	100.0
336.12872	1.8
458.17282	2.1
502.16028	5.8
519.95740	1.7
534.18921	10.8
599.24481	2.0
601.22870	2.2
643.24243	3.3
675.26868	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	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15094	2.3
51.69543	2.1
55.58772	2.3
59.01231	5.0
80.04904	8.8
104.04890	3.0
106.06497	6.7
108.04462	3.9
122.06029	15.1
127.56916	2.9
132.04340	3.8
134.05995	25.3
136.03902	7.5
136.07532	6.1
138.05557	6.9
147.20755	2.9
148.03899	5.0
150.05527	11.1
152.07047	34.2
156.88263	2.9
160.03937	4.6
183.06934	3.6
190.04962	5.1
199.27658	3.9
201.10327	14.5
213.10349	10.8
222.32439	3.0
223.08554	3.6
227.11899	9.9
229.09828	19.1
229.13391	7.1
237.10333	4.3
239.12010	6.1
245.12975	10.5
247.10812	4.4
249.10417	4.7
255.11423	7.6
257.12921	6.6
261.06921	3.1
273.12332	6.4
277.09836	3.8
289.11978	6.3
295.10757	6.3
301.11951	19.8
306.77145	3.5
309.12549	4.1
313.11893	5.0
317.11639	4.0
319.13010	83.6
323.10406	13.8
327.13458	8.9
355.13101	8.4
374.15009	15.2
392.16318	18.3
398.15280	3.7
416.16162	6.5
434.17032	6.3
557.24176	13.3
569.24017	16.2
581.23895	26.8
599.25195	44.5
613.23486	10.1
625.23151	23.6
643.24127	100.0
644.24451	8.1
645.25421	6.3
657.26154	14.6
675.26703	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.3
59.06944	1.5
80.04914	13.1
84.40077	1.4
94.02842	11.9
94.06446	2.3
96.04411	1.9
104.04906	5.1
106.06482	9.4
108.04415	5.3
108.08051	1.9
120.04407	7.7
120.08051	5.6
121.05221	4.2
122.05988	35.6
123.03159	2.0
124.03889	4.7
124.07561	1.9
132.04416	7.5
134.05991	55.9
136.03951	13.3
136.07553	19.5
138.05502	8.7
147.05484	4.5
148.03909	7.4
150.05489	35.4
152.07062	65.3
152.96928	1.7
160.03969	3.8
161.03510	2.1
161.04718	3.0
162.05511	3.6
164.07098	2.0
168.06541	4.1
173.07082	1.9
174.05492	7.4
175.05086	3.6
190.05061	2.2
201.10257	22.5
211.08720	3.5
213.10274	12.5
215.11911	3.8
223.08745	4.0
224.09464	2.4
225.10295	4.9
226.11156	2.6
227.11798	9.3
229.09805	25.8
229.13397	13.0
237.10182	8.6
239.11856	14.4
241.09706	2.8
243.11284	2.5
245.12979	14.3
247.10910	3.8
249.10266	3.9
251.12003	2.0
255.11459	14.5
257.12964	6.9
263.08313	4.0
265.09842	4.6
267.11383	5.7
271.11166	2.2
273.12479	9.4
277.09787	3.8
278.10629	3.4
279.11368	7.9
283.10834	3.0
289.11926	7.0
291.11008	1.7
292.08658	2.3
295.10947	6.6
297.12482	3.6
301.11911	24.5
305.09113	1.9
309.12201	2.5
313.12009	7.8
316.10944	2.3
316.14316	2.0
317.11789	3.3
319.13013	100.0
320.13446	2.8
323.10318	13.0
325.12103	4.1
327.13531	4.4
329.12274	2.4
330.12363	4.5
332.14063	2.5
342.12515	3.1
344.10431	3.6
346.11810	2.4
346.15591	2.3
354.12485	3.0
355.13107	9.4
356.13925	2.1
358.12051	3.5
359.12811	4.3
360.13394	5.9
368.14139	2.4
370.15948	2.8
372.13510	6.5
374.15121	24.7
377.14240	2.5
386.15344	2.8
388.16599	2.6
391.15289	6.2
392.16162	29.3
393.16968	2.5
400.17068	3.4
402.14490	3.2
404.16199	3.1
414.14487	4.3
416.16296	11.8
418.14081	3.8
428.16129	5.9
432.15585	5.0
434.16989	11.3
444.15057	2.0
446.17267	7.9
477.22995	1.9
518.19183	3.6
521.22089	8.0
527.23071	3.8
531.26312	3.5
539.23566	2.9
551.22998	4.3
553.24933	2.4
557.24109	28.2
558.24634	3.9
563.23053	4.8
565.20697	2.4
569.24438	17.2
581.24146	33.8
583.23010	2.1
595.21826	3.0
597.23895	5.7
599.25256	48.1
600.25354	2.7
601.23358	2.9
602.23920	13.5
613.23151	18.3
625.23187	36.6
643.24164	98.4
644.24677	6.5
645.25751	18.4
657.25812	41.8
675.26788	87.0
676.27448	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	675.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89190	1.3
54.35189	1.2
59.01236	5.0
80.04918	7.0
86.44532	2.0
94.02828	9.2
104.04915	3.3
106.06476	6.6
106.67763	1.5
108.04414	3.2
110.08666	1.6
112.73631	1.7
120.04404	4.3
120.08087	5.6
122.02391	1.8
122.05986	18.6
124.03874	3.0
132.04443	6.9
134.05991	24.5
136.03957	4.9
136.07576	5.4
138.05484	6.8
147.05554	2.1
148.03952	3.2
150.04335	2.4
150.05464	16.1
152.07056	29.8
160.03934	3.2
164.90094	2.1
174.05524	3.2
201.10301	14.2
211.08783	2.2
213.10263	9.5
215.11827	3.4
223.08702	4.5
225.10242	4.1
227.11913	6.1
227.24611	2.3
229.09837	23.3
229.13341	8.8
237.10393	3.2
239.11916	9.6
243.11510	1.9
245.13042	5.6
247.10844	2.7
249.10345	3.1
253.09857	1.9
255.11496	6.4
257.12964	5.5
263.08063	2.8
264.08960	2.6
265.09900	2.8
267.11621	4.5
273.12506	5.9
277.09860	3.8
278.10663	2.2
279.11365	8.2
289.12033	5.4
293.09244	3.0
295.10916	5.5
301.11899	21.3
309.12625	3.3
313.12000	3.0
319.13010	69.0
323.10364	7.8
327.13480	4.7
355.13013	5.3
359.12701	2.3
372.13730	2.9
374.15170	11.9
392.16269	15.1
416.16165	5.8
424.16830	3.8
428.16125	2.3
432.15503	4.1
434.17133	5.6
446.17551	2.6
474.04340	2.1
518.19806	3.4
521.21997	5.2
557.24359	9.8
563.23450	3.5
569.23993	12.5
576.21356	2.4
581.24146	21.5
595.22223	2.3
598.24500	2.3
599.25140	41.2
600.26086	3.4
602.23932	2.3
607.21820	2.8
613.23260	12.5
625.23083	29.0
643.24091	100.0
644.24554	4.8
645.25281	5.4
657.25598	13.8
675.26611	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72855	9.3
59.01244	100.0
69.46987	10.6
76.68400	12.4
88.78181	11.8
91.73347	26.2
94.28950	11.0
117.23836	12.2
117.29968	12.0
153.02621	10.7
167.41759	12.0
178.31381	9.9
211.07172	11.8
270.18378	13.9
328.11609	12.8
335.52838	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	675.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64927	19.3
59.01257	100.0
60.60537	19.6
65.00360	23.0
100.17879	25.1
106.29751	28.5
152.75443	34.0
171.10223	48.9
249.18895	44.1
421.74051	34.1
465.24771	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	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	48.3
71.01239	28.9
73.02828	6.7
73.53200	2.4
77.32627	2.3
83.01225	4.3
85.02814	8.5
87.00745	9.3
89.02301	34.3
97.02824	5.0
101.02312	32.2
105.32206	3.5
108.28430	2.9
113.02310	15.4
119.03361	10.0
125.02299	9.2
128.80388	3.1
139.03893	3.4
143.03423	7.1
151.77888	3.2
161.04483	8.3
165.89915	3.1
179.05571	8.4
189.70189	3.2
196.73840	3.3
213.04314	3.7
221.06885	3.5
230.52504	3.1
235.08301	10.5
248.77544	4.4
277.21729	100.0
278.22156	5.7
287.07718	3.8
305.08896	3.8
308.44354	3.5
397.13467	78.4
404.86438	4.1
415.14658	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	675.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25811	0.2
59.01241	19.3
59.02428	0.4
62.41854	0.2
71.18027	0.2
84.95941	0.2
85.34919	0.2
85.73079	0.2
86.09615	0.2
97.88802	0.3
98.58879	0.3
216.46959	0.2
299.20166	100.0
299.33752	0.8
300.20529	2.2
392.47525	0.3
477.47763	0.3
627.45239	0.3
667.36597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11806	6.5
53.85515	6.6
59.01249	7.6
59.59001	5.9
67.01037	5.8
94.02873	33.1
94.06502	15.7
106.06495	12.7
120.08059	64.4
122.05988	92.4
123.42743	8.5
132.04446	10.9
134.06032	10.8
138.05473	17.3
152.07121	13.1
164.07021	8.4
166.05005	26.5
178.04996	8.0
225.10236	15.3
237.10355	10.9
238.11195	24.1
239.11934	16.5
250.95113	7.1
253.13422	51.7
265.13394	8.8
267.11462	18.8
279.11438	11.3
282.68045	7.6
297.12631	10.0
311.10593	12.9
335.12619	22.4
432.19302	31.0
476.18402	30.7
477.18753	15.1
529.24609	9.6
571.26202	11.1
573.23669	62.4
615.25043	27.4
633.25549	100.0
677.29236	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	677.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01001	1.0
59.01247	9.6
65.08380	0.7
74.66702	0.8
80.04886	0.9
83.04886	1.3
89.11635	0.9
94.02355	0.8
94.02834	5.1
94.06456	1.4
95.37100	0.7
96.95895	1.0
103.21418	0.8
106.06514	2.2
107.84428	1.0
108.04417	3.2
110.72716	0.8
112.68931	1.0
120.04409	8.3
120.08068	3.0
120.20824	0.8
122.05976	14.3
124.03938	3.4
132.04445	2.4
134.06009	2.6
136.03932	3.5
136.07587	1.3
137.04701	2.4
138.05492	8.4
147.05521	4.0
148.07590	1.7
150.05486	6.5
152.07079	6.1
157.03821	1.0
168.06577	1.4
175.05064	3.6
176.05807	2.2
186.09073	1.2
186.12889	1.4
200.09435	1.0
201.10265	21.5
209.10820	1.0
211.08775	1.2
213.10323	9.4
214.07288	1.3
215.11813	1.4
217.09761	1.2
223.08708	1.4
224.09541	1.4
226.07367	1.4
227.11940	2.8
229.09822	29.2
229.13315	11.0
230.11880	2.3
237.10345	2.7
239.11896	11.8
241.09885	2.9
243.11514	2.3
245.12988	3.9
247.10805	4.6
253.09935	1.4
253.13423	1.3
255.11469	4.4
255.15031	2.0
257.09418	1.4
257.12964	8.9
259.10864	1.8
265.09872	5.0
267.11517	1.5
273.12488	7.2
275.13968	1.6
281.12830	1.1
283.10922	3.8
283.14639	3.5
287.10538	2.1
289.11826	6.2
290.17914	1.0
295.10938	6.4
301.11972	26.8
301.15585	3.1
313.11880	10.4
317.11429	4.9
319.13019	100.0
320.13333	3.0
335.12506	13.5
341.11658	1.3
345.14703	1.5
392.16513	1.3
406.17725	3.2
432.46170	1.0
543.22620	1.2
555.22552	3.9
571.25525	2.6
573.23486	1.5
585.23511	3.4
597.23370	1.6
603.24628	29.1
604.24786	2.5
615.24652	65.5
616.24780	4.0
633.25745	57.5
634.26208	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	677.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.0
92.47494	1.3
94.02841	3.3
96.95853	4.5
105.04043	1.4
108.04414	3.3
120.04414	8.2
121.02605	2.2
122.05997	10.6
123.03061	1.5
124.03928	2.6
132.04448	3.8
134.05977	2.8
136.03903	2.9
137.04694	2.5
138.05502	6.0
147.05515	1.9
150.05510	5.6
152.07071	6.1
154.09254	1.4
168.06593	3.4
175.05063	3.9
183.02698	3.1
192.58488	1.5
199.12564	1.5
201.10274	16.4
213.10300	8.8
217.09648	1.5
223.08838	1.7
225.03960	2.0
227.11876	2.4
229.09785	23.8
229.13403	9.6
237.10202	4.0
239.11882	10.2
241.09868	2.0
245.12950	1.7
247.10883	4.8
255.11353	3.5
255.90962	1.9
257.12973	6.9
259.10886	2.7
265.09885	4.6
273.12393	3.1
282.14075	1.5
283.11331	2.2
283.14529	4.2
289.11938	6.5
290.87320	1.7
295.10947	5.3
301.12003	24.4
301.15515	4.1
313.11984	9.5
317.11383	2.1
319.12991	100.0
320.13162	3.4
345.14676	2.3
392.16156	2.3
406.17758	1.9
460.15485	1.8
531.22571	1.9
555.22882	3.1
571.25775	3.6
603.24719	26.4
604.24347	1.9
615.24640	64.5
616.24805	5.5
633.25739	52.1
634.26105	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86626	1.5
53.30583	1.4
60.03088	1.6
65.09028	1.7
65.78967	1.8
82.02843	2.5
94.02260	3.9
94.02843	52.8
103.98130	1.8
106.06504	13.5
108.04411	3.3
120.08065	22.8
122.05994	26.9
130.97691	2.0
132.04390	2.3
134.05994	88.3
136.07570	12.6
136.73325	2.1
138.05458	25.3
148.03905	3.6
150.05508	5.9
151.43739	2.1
152.07057	100.0
156.06581	2.3
160.03906	3.7
164.07079	3.4
174.05469	2.8
190.05013	4.0
210.07932	2.9
223.08704	20.3
224.09520	7.6
225.10306	5.5
227.11903	3.9
231.01706	2.1
235.12439	4.3
236.09554	5.8
237.10335	19.9
237.13953	3.1
238.11130	15.1
239.11847	39.5
240.12108	2.3
245.12907	2.5
249.06595	3.4
249.10338	6.4
250.11200	2.7
251.08423	2.6
251.11905	16.8
263.08347	7.4
264.08990	15.5
265.09921	8.1
267.11383	3.2
271.10901	5.2
276.09058	4.2
277.09848	8.3
278.10602	12.3
279.11395	49.7
280.11951	5.7
281.12888	4.8
283.10922	7.6
291.11444	11.2
292.12119	4.3
293.12991	2.7
295.11121	4.3
305.09158	3.3
311.14191	3.2
323.10504	6.5
334.15530	3.8
371.15988	2.2
372.17157	6.3
384.17447	2.8
386.18900	5.5
390.18549	2.7
398.19156	3.4
402.18158	32.8
404.19955	4.6
414.18326	4.1
418.17886	3.8
426.18225	10.9
427.18759	2.8
430.17633	22.4
444.19354	9.3
448.18774	16.5
458.16895	3.6
459.18063	4.2
460.18924	2.7
461.22406	2.7
470.17236	6.3
471.17859	7.4
488.18259	9.4
490.19629	8.2
502.19830	5.0
520.20831	36.2
523.23523	6.4
539.26660	6.1
565.24567	8.8
567.22595	4.5
583.25854	28.8
587.25183	6.0
599.25403	4.7
609.24005	5.6
615.25116	10.4
617.26263	12.3
627.24646	28.8
629.26599	5.5
641.26556	5.9
645.25513	18.7
647.27246	19.5
659.27240	43.6
677.28394	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	677.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01245	0.4
67.16307	0.2
68.16888	0.2
71.01237	0.5
79.95586	1.9
80.04911	0.6
82.02847	0.4
89.38100	0.2
94.02844	8.3
94.03445	0.5
94.06474	0.8
96.04414	0.6
96.93507	1.4
96.95870	100.0
96.98605	1.1
99.04379	0.2
106.06488	0.6
107.03632	1.6
108.04403	1.0
110.05997	0.4
114.93283	0.5
118.96410	0.2
120.04424	1.4
120.08055	4.0
121.02798	1.5
122.03583	0.4
122.05988	11.2
124.07507	0.3
125.02314	0.3
126.06290	0.3
132.04439	0.6
134.05992	2.1
136.03976	0.3
136.07556	0.4
138.05482	4.4
139.02640	0.4
140.07053	0.7
150.05518	1.7
152.07062	25.4
160.03868	0.3
160.97495	0.2
161.04721	0.2
168.06651	0.8
170.99702	0.3
174.05533	0.6
190.05119	0.5
198.99176	0.4
210.07938	0.4
211.08760	0.5
211.12425	0.4
215.11827	0.6
221.10910	0.3
223.08742	4.0
224.09445	1.6
225.10255	1.3
227.11885	0.3
229.09772	0.6
229.13445	0.4
235.12401	0.7
236.09502	0.6
237.10309	4.9
238.11082	2.0
239.11867	5.5
245.12952	0.7
249.06781	0.5
249.10533	0.4
250.07454	0.3
251.08275	1.0
251.11899	2.3
253.09949	0.3
257.09296	0.3
259.01416	0.8
263.08255	1.2
263.11630	0.5
264.09091	2.3
264.11823	0.4
265.09818	1.8
265.12271	0.2
265.13602	0.2
266.10275	0.3
267.11459	0.8
271.10876	0.7
272.10611	0.9
273.11243	1.9
276.09158	0.4
277.09915	1.0
278.10754	0.9
279.11392	8.4
279.14352	0.5
280.08862	0.2
280.12125	0.9
281.13034	0.6
283.10898	1.0
291.11343	1.7
292.12149	0.9
293.09274	0.3
295.10907	0.7
297.12296	0.3
311.10443	0.3
311.13892	0.6
313.12106	0.3
317.11530	0.6
319.13040	1.1
323.10245	1.2
324.11249	0.5
325.11993	0.9
333.15140	0.3
334.15643	0.6
335.12610	2.1
341.11487	0.4
342.12256	0.3
343.13232	0.4
355.13055	0.9
356.13953	0.3
357.10617	0.3
357.14868	0.3
358.91803	0.3
370.15793	0.3
372.17462	0.4
374.18951	0.3
376.16730	0.9
388.16626	0.7
400.20792	0.3
402.18277	5.6
403.19016	0.6
404.19907	1.3
416.20319	0.5
417.20752	0.3
430.17767	0.4
444.19498	2.5
446.17230	0.4
447.18008	0.5
448.18817	6.7
460.18686	0.4
470.17178	0.4
485.22025	0.4
488.18231	3.1
489.19128	1.5
499.23346	0.7
501.10449	0.3
508.20975	0.7
520.20917	5.7
533.13556	0.9
536.20459	0.4
539.26733	0.3
541.24615	1.3
544.23651	0.4
559.26208	0.4
575.14093	0.4
583.25708	1.0
585.23737	2.9
586.24445	0.5
601.25177	0.5
615.25165	0.9
617.26227	11.4
618.26392	0.5
627.24567	3.8
645.25720	5.9
659.27301	5.4
677.28406	11.0
678.29071	0.4
681.00397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33588	0.5
53.72497	0.4
59.01228	1.0
65.41369	0.3
66.48641	0.4
68.91516	1.0
68.91850	0.4
78.45335	0.4
80.04911	3.1
82.02824	3.2
94.00635	0.5
94.02840	36.5
94.05314	0.5
94.06490	5.0
95.03622	0.5
96.04410	3.3
98.20568	0.5
104.04923	1.5
105.05704	1.6
106.06492	2.1
107.03634	7.3
108.04426	2.1
110.05982	1.9
118.06510	0.5
120.08060	28.5
121.05219	1.2
122.05984	44.7
122.09628	0.8
124.07558	1.3
132.04425	4.1
134.05980	8.6
135.05547	0.5
135.06781	1.1
136.03897	1.5
136.07556	0.9
137.04704	0.9
138.05490	20.1
139.02649	0.8
146.05896	0.5
148.03917	0.6
149.04785	0.5
150.05478	2.9
152.07062	100.0
152.12123	1.1
158.02376	1.2
160.03993	1.7
161.04733	1.1
162.05501	0.8
164.07050	2.5
172.07626	0.7
174.05513	1.9
174.09207	0.6
176.03482	0.6
180.06659	0.6
187.08653	1.1
190.05031	5.0
195.09319	0.6
200.07109	0.7
210.07951	0.6
211.08707	0.7
211.12332	2.3
213.10364	0.8
213.13737	0.5
215.11885	2.6
221.07124	0.7
221.10797	1.2
221.94791	0.5
222.07916	1.0
223.08742	10.7
223.12296	1.0
224.09447	4.6
225.10306	4.2
227.11908	1.1
228.75410	0.5
235.08771	1.4
235.12402	1.8
236.06099	0.5
236.09506	2.6
237.10301	13.4
238.11069	3.9
239.11853	13.6
241.13359	0.5
245.12933	5.7
248.09676	0.8
249.06781	2.6
249.10304	2.5
250.07530	1.7
250.10982	0.6
251.08273	4.7
251.11888	7.7
252.12674	1.1
253.09857	0.6
253.13509	2.0
255.11484	0.6
257.13028	1.5
261.10220	1.0
261.12546	1.1
262.07498	0.8
263.08304	7.2
263.11710	2.4
264.09064	13.3
264.12061	0.7
265.09845	7.8
265.13089	1.0
266.10471	1.0
267.11423	1.8
269.12949	1.4
271.10992	0.9
276.09164	2.2
277.09808	4.8
278.10547	6.5
279.11395	46.1
280.09183	0.8
280.12073	4.5
281.10068	0.5
281.12906	2.6
283.10986	1.3
285.12436	0.9
290.10306	0.6
291.11389	12.6
292.09018	0.8
292.12039	3.2
293.09467	1.2
293.13004	2.2
294.13632	0.7
295.10898	5.7
296.11655	1.2
297.12451	1.4
303.13614	1.4
305.09351	1.4
306.10172	0.7
307.11072	0.7
310.13083	0.5
311.13895	2.9
313.11951	2.0
322.09625	1.5
323.10391	9.9
324.11050	3.5
325.11920	4.2
326.12439	0.5
332.17606	0.9
333.14899	0.7
334.15628	2.8
335.10297	0.8
337.12131	0.7
339.09979	0.9
341.11600	0.9
342.12515	0.8
343.13394	0.6
355.13098	4.3
358.15521	1.6
359.16287	0.6
370.15488	1.0
372.17090	1.2
374.19028	0.9
375.15381	0.6
376.16498	3.9
376.20612	1.1
384.17322	0.9
387.15744	0.8
388.16644	3.7
389.17410	1.5
390.18576	0.7
398.19095	0.7
399.20114	0.6
400.20694	1.0
402.13681	0.8
402.18320	10.1
403.18988	1.3
404.19852	1.7
414.18570	0.7
414.78833	0.5
416.15820	1.4
416.19879	2.0
417.20746	1.5
420.19897	0.5
426.18378	0.8
427.19012	0.6
429.17120	0.8
430.17642	1.4
431.18762	0.7
442.18182	0.7
443.18445	1.4
444.19360	10.4
445.19891	2.2
448.18771	6.5
449.19351	0.6
452.16245	0.9
453.17169	0.7
460.18747	1.8
461.19876	3.6
462.20517	1.9
470.17227	0.7
471.17975	2.2
476.18362	0.7
488.18298	19.2
489.19089	11.5
499.23581	1.2
508.20502	0.5
520.20905	34.2
521.20844	1.1
541.24536	8.5
557.24164	1.0
559.26544	0.6
574.37317	0.8
583.25861	6.2
585.23547	25.8
586.24091	1.0
599.46906	0.6
601.26923	1.7
617.26239	28.0
618.26715	1.7
627.24628	21.5
635.48975	0.6
645.25714	85.1
646.26373	2.2
659.27380	10.7
677.28375	27.6
678.28687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98490	1.3
59.01249	1.4
73.81040	1.3
80.04904	5.1
80.61414	1.1
82.02839	3.2
85.73797	1.1
89.55785	1.3
94.02841	48.6
94.03444	2.7
94.06491	1.4
96.04403	3.8
104.04895	3.3
105.05726	1.8
106.06490	15.7
108.04408	1.9
110.06001	1.8
120.04488	2.0
120.08055	38.0
121.05137	1.6
122.05988	38.3
124.07575	1.7
132.04405	7.1
134.05988	81.6
136.03917	3.3
136.07558	15.2
138.05478	27.0
143.81302	1.2
148.03914	1.8
150.05482	6.0
152.07059	81.3
156.06557	1.6
156.51180	1.4
158.02322	2.5
158.92142	1.7
160.03923	4.7
162.05505	1.6
164.07062	3.4
174.05487	2.2
190.04980	8.9
211.08841	1.6
211.12315	1.7
213.10284	2.0
215.02959	1.5
215.11873	2.5
221.10823	3.1
223.08780	14.6
223.12451	2.4
224.09528	6.7
225.10315	4.6
227.11841	2.1
233.10931	1.9
235.08623	1.9
235.12411	4.3
236.09567	5.0
237.10312	21.0
238.11084	8.5
239.11890	17.6
245.12953	5.3
249.06732	4.3
249.10324	5.2
250.07510	3.5
250.11220	1.6
251.08209	4.0
251.11842	14.2
252.12784	1.6
253.09859	3.3
253.13472	2.6
255.11452	1.5
257.12863	1.9
261.10123	2.3
262.07547	2.4
263.08270	13.4
263.11456	2.8
264.09042	21.4
264.12207	2.6
265.09769	9.2
266.10544	1.6
267.11389	2.7
275.08279	2.0
276.09143	6.8
277.09827	14.9
278.10492	12.5
279.11404	66.2
280.12112	5.8
281.12997	6.0
289.09689	1.6
290.10471	2.5
291.11432	19.5
292.12210	4.9
293.09189	2.0
293.12781	2.4
295.10843	9.3
297.12457	1.8
305.09381	3.0
309.27731	1.5
311.13855	3.0
313.12000	1.8
322.09674	2.1
323.10364	15.1
324.11066	4.8
325.11838	2.2
334.15619	2.9
337.18317	1.5
353.81879	1.7
355.13010	5.2
356.13962	2.4
358.15680	3.0
360.13538	1.7
368.14093	1.7
370.15671	2.4
371.38943	1.5
372.17093	3.1
376.16864	1.9
384.17133	4.9
386.19052	2.7
388.16678	3.2
396.13391	2.2
398.14551	3.1
398.18970	3.3
399.19666	2.6
402.18323	10.4
403.18845	2.2
407.41138	1.6
412.16782	3.0
414.18347	4.0
415.19278	2.0
416.16199	2.6
418.17783	2.3
426.18188	15.2
427.18964	3.1
430.17581	3.6
444.19507	8.4
453.17215	2.0
458.16699	2.1
459.17917	8.5
470.17239	8.9
471.17987	13.1
488.18372	15.4
489.19083	3.0
490.19867	7.6
502.19806	6.0
520.20978	51.0
521.21008	2.1
523.23230	6.3
539.26288	3.8
541.24579	1.7
555.22742	2.4
565.24316	6.7
567.22583	5.8
583.25702	24.8
585.23444	9.0
587.25342	3.2
597.23865	3.8
599.25452	2.6
601.26624	4.9
609.23218	8.1
615.24554	26.3
617.26013	10.5
627.24634	82.1
628.24896	3.8
629.26050	2.1
641.26013	3.0
645.25732	100.0
646.25922	4.6
647.27222	9.1
659.27161	27.8
677.16650	2.4
677.28357	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	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04885	0.6
81.03315	6.9
83.04879	19.7
100.40358	0.4
107.06055	0.6
108.04399	0.9
109.20162	0.4
109.60656	0.4
122.05898	0.4
125.07053	1.3
126.05437	0.5
134.05943	0.5
143.08084	0.7
207.14993	1.7
224.17654	3.7
225.16035	13.3
225.18166	0.9
233.02798	0.4
242.18637	1.0
248.90526	0.4
309.21744	0.7
324.26642	0.7
333.23068	0.8
341.29285	1.2
348.32999	0.5
367.27151	0.5
371.73563	0.4
400.84317	0.5
433.31830	1.9
450.34393	1.4
451.32837	6.9
469.34592	0.5
504.29620	0.5
550.43292	1.4
572.14191	0.5
593.43866	0.9
641.41724	0.6
659.48975	2.0
671.20404	0.5
677.49756	100.0
678.50024	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	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04885	0.6
81.03315	6.9
83.04879	19.7
100.40358	0.4
107.06055	0.6
108.04399	0.9
109.20162	0.4
109.60656	0.4
122.05898	0.4
125.07053	1.3
126.05437	0.5
134.05943	0.5
143.08084	0.7
207.14993	1.7
224.17654	3.7
225.16035	13.3
225.18166	0.9
233.02798	0.4
242.18637	1.0
248.90526	0.4
309.21744	0.7
324.26642	0.7
333.23068	0.8
341.29285	1.2
348.32999	0.5
367.27151	0.5
371.73563	0.4
400.84317	0.5
433.31830	1.9
450.34393	1.4
451.32837	6.9
469.34592	0.5
504.29620	0.5
550.43292	1.4
572.14191	0.5
593.43866	0.9
641.41724	0.6
659.48975	2.0
671.20404	0.5
677.49756	100.0
678.50024	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	679.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81407	0.1
60.24733	0.1
79.95592	2.2
79.96021	0.1
81.03308	0.2
85.21716	0.1
93.83434	0.1
96.93193	1.3
96.95866	100.0
96.98196	1.3
97.95849	0.1
123.04375	0.9
144.48193	0.1
168.17355	0.1
196.60313	0.1
229.08662	1.5
267.04196	0.1
307.21481	0.1
311.03162	0.1
352.59543	0.1
574.25000	0.1
581.18781	1.7
619.14099	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	679.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54035	2.9
54.57342	2.7
55.23700	3.1
55.91743	3.1
57.73579	3.2
59.01237	12.0
78.95766	3.9
94.02848	15.3
94.06471	7.4
96.95879	5.7
108.04470	4.0
118.06503	6.3
120.08057	13.8
122.05972	12.0
123.03118	5.0
124.03922	14.1
136.03899	11.9
136.07553	12.1
137.04770	4.4
138.05495	59.8
150.05470	6.3
152.59396	3.9
156.06522	4.5
162.05513	19.8
174.05450	4.6
186.12843	4.2
188.07166	8.2
201.10252	21.3
213.10263	9.7
227.11906	10.2
229.09779	24.4
229.13460	7.6
239.11871	12.1
240.63605	3.5
241.09790	6.5
255.11392	21.6
257.12961	7.1
265.09686	3.8
267.11505	6.9
269.09659	3.7
273.12509	6.4
283.10681	6.2
289.11945	5.4
301.11743	24.0
319.13022	100.0
327.09921	7.6
335.12723	3.9
341.11368	18.0
342.12152	5.5
343.13242	9.3
344.13901	4.0
356.13531	4.4
357.11319	4.1
372.13571	8.0
376.16705	5.4
386.15271	8.3
387.15451	4.2
388.16748	8.0
402.14609	5.2
404.16379	5.4
406.17639	12.8
416.16144	6.6
420.15262	5.6
430.17688	9.7
432.15308	6.3
446.17142	10.6
448.18710	28.6
450.16882	16.5
490.15961	7.1
492.17868	21.7
494.88187	4.0
522.18921	6.8
524.20337	5.6
543.21991	9.3
558.22589	4.5
567.21906	4.7
585.23785	27.7
586.22363	4.5
603.24744	31.7
617.22870	6.1
629.22571	56.1
630.21729	8.9
647.23688	51.6
661.24982	28.0
679.26324	66.7
680.26514	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	679.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54035	2.9
54.57342	2.7
55.23700	3.1
55.91743	3.1
57.73579	3.2
59.01237	12.0
78.95766	3.9
94.02848	15.3
94.06471	7.4
96.95879	5.7
108.04470	4.0
118.06503	6.3
120.08057	13.8
122.05972	12.0
123.03118	5.0
124.03922	14.1
136.03899	11.9
136.07553	12.1
137.04770	4.4
138.05495	59.8
150.05470	6.3
152.59396	3.9
156.06522	4.5
162.05513	19.8
174.05450	4.6
186.12843	4.2
188.07166	8.2
201.10252	21.3
213.10263	9.7
227.11906	10.2
229.09779	24.4
229.13460	7.6
239.11871	12.1
240.63605	3.5
241.09790	6.5
255.11392	21.6
257.12961	7.1
265.09686	3.8
267.11505	6.9
269.09659	3.7
273.12509	6.4
283.10681	6.2
289.11945	5.4
301.11743	24.0
319.13022	100.0
327.09921	7.6
335.12723	3.9
341.11368	18.0
342.12152	5.5
343.13242	9.3
344.13901	4.0
356.13531	4.4
357.11319	4.1
372.13571	8.0
376.16705	5.4
386.15271	8.3
387.15451	4.2
388.16748	8.0
402.14609	5.2
404.16379	5.4
406.17639	12.8
416.16144	6.6
420.15262	5.6
430.17688	9.7
432.15308	6.3
446.17142	10.6
448.18710	28.6
450.16882	16.5
490.15961	7.1
492.17868	21.7
494.88187	4.0
522.18921	6.8
524.20337	5.6
543.21991	9.3
558.22589	4.5
567.21906	4.7
585.23785	27.7
586.22363	4.5
603.24744	31.7
617.22870	6.1
629.22571	56.1
630.21729	8.9
647.23688	51.6
661.24982	28.0
679.26324	66.7
680.26514	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	679.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13414	1.5
56.67189	1.5
59.01244	4.7
65.39163	1.4
80.04908	4.2
80.36865	1.6
82.02855	5.4
94.02843	55.9
94.06508	4.9
96.04427	5.5
105.05708	5.4
106.06489	5.4
108.04417	19.8
110.05984	4.5
120.04424	54.2
120.08060	100.0
122.05991	27.6
132.04453	19.3
134.06003	7.8
136.03941	6.1
137.04744	4.0
138.05498	64.2
146.06000	10.8
146.09630	5.8
148.03996	3.1
150.05493	52.9
152.07080	11.1
164.07053	10.4
168.06572	17.3
187.08749	2.0
197.45364	2.1
197.91714	1.9
208.10474	1.9
209.10754	2.3
211.08699	2.4
211.12375	3.8
213.10368	3.5
215.11867	4.9
217.13594	1.8
223.08713	14.5
223.12363	2.2
224.09506	5.3
225.10356	14.6
227.11726	2.3
231.11391	2.4
235.08780	2.7
237.10297	16.5
238.11098	35.6
239.11845	14.3
241.13493	5.5
243.11400	3.2
251.11949	11.0
252.12660	3.6
253.09674	4.1
253.13458	97.4
254.14024	3.1
255.11443	3.3
259.10931	5.9
261.12509	5.9
263.08255	3.2
265.09872	9.7
265.13538	23.9
267.11526	6.6
267.14969	4.1
279.11469	8.0
283.11017	13.7
285.12473	5.2
295.10931	18.7
296.11685	2.9
297.12375	12.3
303.13614	9.4
309.12228	3.7
313.11804	10.7
314.12854	3.0
328.11002	2.9
358.19394	3.6
370.15463	4.0
371.16473	4.3
372.17194	2.3
376.16656	2.7
386.18668	20.9
387.19525	3.8
388.16498	2.7
404.19882	7.6
416.19946	13.9
418.17679	4.2
430.17804	2.7
436.19217	2.9
448.18839	21.3
460.18832	54.0
478.19852	47.9
479.20279	5.5
545.24115	24.2
557.24115	54.2
575.25189	43.9
587.25330	18.0
599.25073	41.8
605.26233	20.4
606.27893	2.1
617.26215	90.3
618.26575	5.3
635.27338	91.3
636.27216	7.1
643.24487	3.4
661.24927	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	681.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07390	1.2
59.01245	1.6
74.39767	1.5
82.02827	1.7
89.16823	1.5
94.02847	14.1
94.06476	2.0
96.04431	2.0
96.95879	2.7
100.78400	1.6
110.05972	2.4
111.03725	1.8
120.08064	16.5
122.05992	2.1
123.03102	8.8
124.03925	1.9
125.91131	1.6
135.56703	1.6
136.03900	2.8
138.05490	100.0
145.74963	1.8
162.05460	2.1
164.07082	2.2
165.50441	1.7
174.05608	3.5
215.11919	1.9
237.10468	4.5
251.11813	5.7
252.12799	1.9
253.13298	1.9
261.12485	1.9
263.08377	3.9
263.12027	3.8
265.09830	2.9
265.13467	3.5
277.09943	5.1
278.10739	7.6
279.11383	4.0
291.11417	5.6
292.12201	9.3
293.12903	13.4
299.10547	2.9
329.12912	1.9
336.11142	2.1
337.12003	4.9
338.12460	2.6
341.11560	3.3
355.12997	1.8
388.16736	8.6
390.18164	5.1
430.17490	6.1
431.18292	3.0
434.17569	3.3
470.49429	2.1
474.16797	3.7
475.17371	4.4
494.19073	3.1
506.19565	3.1
515.22736	2.5
527.22900	8.5
559.22516	4.9
571.22009	47.8
587.24902	4.8
591.24658	6.4
601.22900	2.4
603.24634	24.9
604.23566	2.3
613.22791	11.7
619.23431	2.8
631.24225	15.5
645.25757	5.6
663.26776	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	682.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01321	0.4
59.01229	0.8
76.69496	0.5
78.95766	8.8
82.97537	0.5
96.96844	0.7
114.13819	0.5
122.00008	0.6
129.36029	0.5
140.01056	4.9
152.99408	0.6
154.70346	0.6
155.14330	2.9
183.13766	1.3
196.03703	2.2
197.32968	0.6
199.13295	0.9
201.14896	100.0
202.15323	1.3
257.22827	2.4
301.21753	13.4
398.19305	0.7
432.07703	0.6
480.25330	0.8
498.26288	2.3
500.09070	0.6
682.40973	15.9
683.41443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03821	2.1
67.01749	21.8
67.03128	0.4
71.71523	0.4
78.36263	0.3
81.03313	2.1
93.03310	1.4
95.62318	0.3
96.95856	1.0
100.00021	0.3
108.02018	0.4
108.99563	1.1
109.02814	100.0
109.05628	1.2
110.03139	1.1
121.02821	24.3
122.03640	0.4
123.04394	3.7
153.01830	2.4
157.78456	0.3
158.03632	0.5
158.95340	0.4
201.05475	0.7
202.05774	0.7
209.28400	0.4
213.09340	0.3
229.05180	0.3
231.06595	13.9
245.08232	2.4
257.08151	0.6
275.05640	43.5
276.05896	1.1
287.18893	0.4
369.59949	0.4
407.13620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38607	13.7
57.27188	15.4
59.01233	30.2
65.46079	14.8
77.74660	16.6
83.08394	16.6
139.96823	16.0
184.48566	17.3
184.57672	18.2
205.37210	19.9
221.15407	19.3
225.58698	19.3
249.18657	48.9
397.13721	100.0
541.36774	20.3
683.30701	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	685.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41070	1.3
58.68248	1.7
58.69185	1.6
69.03352	1.7
70.98955	1.7
81.03312	2.0
93.03330	4.7
95.01261	3.5
96.95923	2.5
106.04168	3.5
107.01295	8.1
121.02811	18.3
121.07941	1.9
123.00790	4.0
124.01600	3.8
151.00290	3.1
169.06557	3.1
181.71861	1.9
196.05307	5.1
197.06110	2.9
197.11693	1.8
198.06830	5.4
212.04817	7.5
214.06308	31.2
230.05894	2.5
246.05406	8.8
250.06102	15.2
251.06815	4.2
327.10037	75.5
328.10501	2.3
331.06772	2.0
358.08368	6.4
371.08911	18.1
390.45142	2.0
391.13123	4.1
433.10883	5.0
435.12161	52.7
436.13034	2.2
461.10104	8.3
479.11087	27.2
483.98627	2.1
522.09357	2.9
523.10120	100.0
524.10522	4.1
685.15350	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02377	0.8
61.32454	0.9
86.02332	3.8
90.04429	0.9
93.03325	1.2
99.69015	1.1
101.97139	0.9
107.04849	1.1
107.18005	1.0
111.96812	1.0
121.02836	4.8
128.03389	14.1
131.79330	1.1
134.15036	1.1
136.08476	1.0
137.00470	1.2
163.75378	1.0
195.04498	1.7
197.05974	1.6
215.06622	4.9
239.03586	1.7
240.04277	4.1
256.01959	5.9
257.02725	1.5
379.13278	2.0
407.12921	3.4
435.12418	7.4
469.11148	100.0
470.11462	4.8
556.15442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70266	1.3
51.15046	1.4
55.23930	1.5
57.90417	1.3
59.01231	5.3
59.12031	1.4
65.00188	3.4
71.01239	6.8
72.99166	3.1
75.00733	2.3
78.33513	1.7
83.01225	3.5
85.02814	8.7
85.03265	1.6
87.00750	1.8
88.72636	1.7
95.01252	4.0
95.19280	1.6
96.14713	1.7
99.00716	3.5
103.00233	2.5
105.16599	1.6
107.01238	3.5
108.02045	4.3
109.02824	7.0
109.49010	1.7
111.00741	2.6
113.02308	9.6
120.60772	1.8
120.67965	1.8
124.01557	3.0
125.02332	10.5
133.02878	9.8
135.00793	2.5
137.02309	10.0
139.00261	7.0
140.00970	2.6
149.02327	5.8
151.00240	12.7
153.01839	13.9
163.00275	7.7
165.01836	5.1
169.01292	4.4
171.04333	2.5
175.02472	2.7
175.03851	2.2
177.01881	6.2
178.99796	9.0
179.01210	1.9
181.01335	15.1
181.14803	1.9
182.02103	5.3
190.99791	3.2
191.03458	1.8
193.01344	5.2
193.03450	4.4
199.03955	3.1
201.01767	3.7
201.05383	2.0
206.99149	2.6
208.00076	2.6
209.00923	7.8
215.03406	2.2
217.05055	1.8
219.02994	3.2
225.00279	2.0
227.03482	5.7
229.05067	2.3
231.02982	2.6
243.03008	6.5
245.04565	5.2
255.03062	7.1
256.03751	4.2
259.02515	2.1
271.02524	13.8
273.03967	10.8
283.02679	3.3
284.03256	19.3
285.04041	50.4
297.04041	8.9
299.01938	23.3
300.02612	13.3
301.03534	100.0
302.03809	3.0
311.05685	2.7
313.03510	5.6
317.03046	29.6
318.03897	2.0
352.91122	2.0
358.05585	4.8
399.07452	2.5
460.06744	10.2
461.07004	11.1
475.05344	4.5
476.06036	6.9
477.06772	35.5
493.06290	5.2
637.10693	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	689.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22124	2.5
59.01255	10.0
62.08961	2.1
80.04937	8.0
80.66807	2.7
82.60611	2.3
83.01247	5.8
85.49609	2.3
96.95885	4.5
100.94096	2.7
104.04945	3.4
105.30726	2.9
106.02837	2.4
106.06461	4.8
108.04446	5.9
111.07511	2.5
117.83294	2.7
120.04448	5.3
122.06051	11.5
124.03945	11.7
127.32481	2.8
136.03960	14.1
137.04662	2.8
138.05467	5.6
147.05598	4.4
148.03909	13.1
150.05516	35.1
152.07037	4.7
160.03981	3.3
161.04768	3.6
162.05562	3.2
162.25502	2.9
166.04979	26.2
174.05585	4.7
184.64290	2.8
190.05089	7.7
191.24002	3.0
198.99269	2.9
200.51120	2.9
201.10237	22.4
211.08815	3.4
213.10374	9.7
223.08818	3.1
227.12050	6.1
229.09840	23.9
229.13539	9.3
239.12013	12.4
241.09885	7.8
247.11099	3.9
253.10020	3.8
255.11546	7.9
257.12863	5.3
259.11005	9.6
263.08286	6.5
265.09915	3.8
267.07874	4.0
267.11615	5.3
272.09167	2.6
273.09058	4.2
273.12540	7.7
279.07965	4.8
289.12100	6.6
295.07364	11.1
297.08801	4.0
301.11966	22.0
302.87387	2.9
309.08887	8.4
309.12436	5.2
315.10150	5.2
317.11676	6.2
319.07385	4.4
319.13022	73.1
327.09955	11.8
327.13519	4.8
333.10983	7.3
337.08237	26.9
339.09949	5.0
355.13232	4.8
358.35632	3.3
369.11063	15.4
372.13727	6.4
374.15091	14.8
386.11639	4.0
390.15207	3.6
392.16394	10.5
402.14954	3.8
416.16254	8.5
432.15689	17.4
434.17380	10.9
509.21933	4.0
553.20813	6.3
571.22266	15.0
583.22552	7.0
595.22058	24.4
597.20386	4.5
613.23181	57.7
627.20813	13.0
639.20923	35.6
657.22144	100.0
658.22760	8.6
659.23676	4.5
671.23792	29.3
689.24756	45.7
690.23596	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	689.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41584	1.2
59.01231	6.6
65.78036	1.5
66.96159	1.1
67.38654	1.5
80.04913	8.5
81.45190	1.6
86.96968	1.5
92.04860	1.7
94.02840	3.7
94.06474	6.5
95.04881	1.9
96.95872	2.1
104.04921	2.2
106.06464	3.5
107.03621	3.6
108.04436	2.5
120.04407	5.1
122.05987	53.5
124.03873	3.1
132.04456	4.4
134.05986	4.5
136.03923	7.9
136.07552	3.9
137.04694	2.0
138.05484	3.5
142.80602	1.5
147.05563	4.1
148.03922	4.8
150.05547	12.2
160.03906	4.9
162.05568	1.6
164.07053	2.1
166.05009	16.3
170.09593	1.9
174.05511	5.9
175.05072	1.7
179.05841	3.2
190.05023	3.9
201.10280	12.8
202.12285	1.8
211.04878	1.7
211.08731	3.7
213.10333	7.1
215.11880	7.3
227.11885	4.4
229.09798	21.2
229.13420	7.1
235.05051	2.4
237.10269	4.7
239.11845	5.1
241.09995	3.9
247.10945	2.3
249.06615	2.4
255.11462	8.6
257.12949	3.8
259.10895	6.5
265.09833	11.7
266.10681	2.4
267.11414	3.0
273.12503	6.6
281.09161	1.8
283.10867	3.7
287.10266	2.1
289.11966	3.7
293.09354	4.8
295.10910	3.0
297.12524	3.6
301.11969	20.1
307.07297	1.8
309.08905	3.3
309.12399	3.3
317.11526	4.1
319.13010	55.2
327.09970	3.5
327.13635	4.1
330.12393	2.4
335.12473	18.7
337.08307	31.6
353.11627	2.6
358.12082	2.2
359.12680	2.8
369.10956	18.6
372.13654	3.6
374.15070	11.5
386.14838	1.8
391.15359	4.3
392.16208	9.9
400.12723	2.7
401.13553	2.1
403.15027	2.6
408.57761	1.8
416.16245	8.8
418.13782	2.1
434.17224	6.2
527.22778	2.8
551.22925	2.4
553.20789	4.4
569.24188	9.4
571.22015	7.2
595.21960	9.7
597.20142	4.7
613.23047	31.6
614.24054	2.9
616.21576	3.6
629.22754	3.0
639.21259	5.5
645.25751	3.1
657.22107	100.0
658.22595	8.1
671.24054	2.6
689.24719	67.5
690.24640	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	689.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	17.7
71.01239	9.5
85.02815	4.7
89.02298	17.3
97.02847	4.9
101.02303	10.4
108.28600	4.3
111.82716	4.5
113.02316	6.1
119.03406	5.2
125.02316	4.8
161.04515	5.8
235.08258	9.5
236.61993	5.5
255.23331	53.2
281.66400	5.2
351.96497	4.8
385.66849	5.6
397.13531	100.0
413.29568	5.8
415.14615	26.8
653.37793	12.9
689.35278	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	691.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40622	2.2
59.01239	9.3
61.73712	2.0
63.18168	2.4
80.04914	8.6
94.02820	3.2
94.06466	2.9
98.06536	2.3
103.90120	2.3
104.04902	3.3
108.04408	8.9
120.03606	5.4
120.04408	51.5
120.08098	3.7
121.05217	3.4
122.05969	16.6
132.04391	4.0
134.06020	2.8
136.03914	12.3
138.05504	18.5
147.05528	5.6
148.03908	4.7
150.05487	30.6
152.07076	5.0
160.03957	5.1
168.06554	21.8
174.05519	5.3
183.59125	2.6
190.05042	4.2
201.10272	21.1
213.10271	10.2
227.11865	7.1
229.09781	30.0
229.13394	6.4
235.08626	4.0
237.10445	4.7
239.11917	11.9
241.09776	4.1
245.13008	4.8
250.07512	3.3
255.11395	9.2
257.12924	6.4
261.12314	4.3
273.12399	13.7
289.11942	11.0
293.09354	3.9
301.11954	27.9
309.08862	3.9
309.12534	5.3
311.10483	12.6
317.11188	5.8
319.12997	100.0
321.08902	3.9
327.13663	3.8
329.11618	3.7
335.12430	19.3
339.09732	15.9
353.11264	3.1
358.11926	3.8
362.15021	4.4
371.12561	8.7
372.13538	6.7
374.10593	2.9
374.14993	16.5
391.15549	4.7
392.16098	19.7
401.13971	4.7
416.16324	9.0
432.15674	4.5
434.17236	8.5
537.21295	4.2
555.22888	6.4
573.23804	10.8
581.20496	3.3
585.23590	19.3
597.23737	31.0
615.24652	38.3
618.22919	4.2
629.22449	16.8
641.22577	45.8
648.74414	3.4
659.23669	96.2
661.25104	10.6
673.25311	21.3
691.26288	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76511	0.3
53.72728	0.3
54.37203	0.3
59.01246	2.8
59.95470	0.3
67.88448	0.3
68.64773	0.4
75.43665	0.4
81.48196	0.4
83.04884	0.8
92.66139	0.4
94.02842	1.7
98.02359	0.5
107.03662	0.4
108.04398	2.8
110.05999	0.5
110.11090	0.3
116.80656	0.3
120.04431	1.2
121.05248	0.5
122.05985	10.2
124.03915	1.4
124.07607	0.4
132.04370	0.6
134.05981	2.7
135.06773	0.9
136.03931	3.6
136.07559	10.4
137.04756	0.5
138.05487	2.9
148.03908	0.6
150.05499	12.2
152.07065	3.5
158.02362	0.6
158.06012	0.6
159.11665	0.8
174.05606	0.3
174.09126	1.1
176.03415	0.8
185.09660	0.5
186.04312	0.5
186.09186	4.3
187.11290	0.5
188.10649	0.6
190.05034	2.2
200.10732	0.5
201.06462	3.2
201.08237	0.6
202.07158	1.8
202.08844	0.9
202.12332	2.3
212.10771	1.8
213.06520	0.7
214.07385	1.3
215.08086	3.3
216.09070	0.9
223.40199	0.3
227.11906	0.4
228.10364	3.3
229.09795	16.3
230.11974	9.9
231.11522	0.5
239.08357	0.4
240.09041	1.1
241.09787	0.6
243.07721	0.4
243.11324	0.4
244.08464	1.2
245.09315	6.1
245.12917	0.9
246.11348	0.5
255.11401	4.0
257.09323	8.3
258.10080	1.7
259.10907	0.7
273.12463	25.8
274.10757	0.9
275.10352	1.4
291.13693	0.4
299.10394	0.7
317.11438	20.1
334.11722	0.9
335.12515	100.0
336.12839	1.8
354.69788	0.5
355.13116	3.0
417.04703	0.4
599.21484	1.0
613.23218	0.4
631.23657	0.6
659.23297	0.5
673.24774	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	691.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72694	0.7
59.01242	9.3
70.77196	0.8
80.04916	9.1
81.03333	1.0
91.73365	2.2
92.04906	1.1
94.02831	4.2
94.06509	0.9
95.11488	1.0
104.04926	3.6
106.06493	3.9
108.04411	12.3
110.05967	1.5
120.04415	56.0
120.08086	2.2
121.05259	2.3
122.05987	16.8
124.03917	4.7
130.06497	1.3
132.04446	3.2
134.06012	3.0
136.03923	8.1
137.04732	1.9
137.32384	0.9
138.05489	20.1
146.05997	1.1
147.05534	5.8
148.03935	5.6
150.05492	38.3
152.07054	5.8
157.53275	1.0
158.02434	1.4
158.06068	1.1
160.03917	3.5
161.03433	1.4
161.04729	1.6
162.04218	1.0
162.05516	2.6
168.06575	18.7
168.07903	0.9
170.28320	1.0
174.05554	6.0
175.05032	2.7
176.05846	2.9
185.07034	1.6
186.05545	1.8
186.12767	1.3
187.08720	1.2
190.05034	6.0
190.93224	1.0
192.06619	1.4
197.07080	1.8
201.06718	1.0
201.10289	21.2
202.12300	1.2
211.08778	2.9
213.10277	14.5
214.07465	1.7
214.10989	1.2
217.09846	1.3
223.08684	3.5
224.09457	1.5
225.10281	3.5
227.11900	8.1
229.09804	26.3
229.13309	9.4
231.11414	3.6
234.07738	1.1
235.08791	2.7
237.10252	3.8
239.11807	11.1
241.09755	4.2
243.11493	7.6
245.12962	3.8
247.10812	5.0
249.06689	1.8
249.10356	2.6
250.07507	1.6
251.08311	2.7
253.09795	1.4
255.11407	11.6
257.12933	7.0
259.10828	1.7
261.12494	3.3
263.08243	4.6
265.06320	1.4
265.09814	3.4
267.11456	4.7
273.09546	1.4
273.12460	8.1
277.09723	2.0
278.10559	1.5
279.07858	1.7
279.11505	3.3
281.09427	4.6
281.12503	1.0
287.10388	1.9
289.11966	8.5
291.07715	2.6
291.11176	1.7
293.09274	3.5
295.10663	2.3
299.06644	1.0
299.10333	2.7
300.08856	1.0
301.11935	27.3
309.08893	2.5
309.12473	4.5
311.10321	11.3
313.12347	1.5
316.10995	1.2
317.11469	2.0
319.13000	100.0
320.13531	2.2
321.08774	4.7
323.10446	4.2
327.13455	6.6
329.11655	3.3
330.12427	3.6
330.15973	1.5
332.13947	1.6
335.12671	1.4
339.09793	14.0
340.10696	2.3
341.11560	4.7
342.12442	1.3
343.25452	1.1
344.10349	2.1
344.13895	1.9
346.11899	1.3
346.15613	2.1
348.17075	1.5
353.11581	3.4
356.10455	1.2
356.14313	1.6
357.11258	1.2
358.11987	3.8
359.12769	4.3
360.13675	2.3
362.15164	1.8
370.11801	1.4
370.15781	1.1
371.12518	7.3
372.13443	5.2
373.14917	1.1
374.15076	16.4
377.13892	1.1
378.14166	1.5
384.13824	1.1
386.11337	4.2
388.16824	1.4
390.78036	1.2
391.15289	5.1
392.16217	19.4
398.15369	1.6
400.12955	2.3
403.15244	3.0
404.16415	1.3
414.14655	2.4
416.16269	10.3
418.14011	3.7
428.16211	2.3
432.15561	5.7
433.16467	1.5
434.17258	12.3
442.96970	1.2
446.17209	5.9
537.21313	4.3
543.22925	2.5
555.22699	5.4
567.22791	4.5
573.23517	11.9
574.24084	1.8
579.22461	3.2
581.20392	2.3
585.23511	21.5
597.23676	35.7
598.23682	1.2
599.21686	1.9
600.21802	1.5
611.21912	2.1
613.22906	2.0
613.63025	1.3
615.24738	35.3
616.25220	1.5
618.23462	1.3
623.21344	1.6
629.22491	20.3
631.24426	1.5
641.22620	56.6
642.22681	1.5
659.23621	93.7
660.23975	4.2
661.25269	12.7
673.25208	19.8
674.25464	1.4
691.26221	46.9
692.26526	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	691.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91973	2.6
58.79909	2.7
59.01236	6.9
75.54410	2.9
80.04900	5.6
94.02848	25.3
94.06471	9.4
94.57337	4.4
95.76910	3.1
96.04448	4.5
106.06476	8.3
107.03642	9.5
108.04416	7.6
120.08047	19.9
122.05984	75.7
122.06824	5.5
123.06308	4.2
124.07584	5.6
131.72231	4.1
132.04437	4.2
134.06050	17.6
136.03978	4.3
136.07564	24.9
138.05476	19.8
148.03879	4.3
150.05513	19.7
152.07079	8.7
160.04103	4.4
166.04994	26.4
168.06702	5.4
176.15454	4.3
190.05029	21.9
201.10178	5.1
213.10234	4.5
217.09790	5.1
223.08823	6.4
229.09792	10.2
230.10117	5.7
237.10246	5.5
239.11894	9.3
251.11919	7.5
255.11243	4.1
259.10928	16.2
264.09064	10.4
265.09875	14.3
267.11560	5.1
273.12439	5.2
274.12863	6.1
277.09726	11.8
277.12216	7.0
279.11346	25.3
283.10712	4.3
285.04114	5.1
295.10779	11.2
301.11630	4.9
302.12555	4.9
309.12360	5.7
317.11411	4.9
318.11923	4.8
319.12933	13.6
320.13303	12.2
323.10410	6.7
335.12512	21.6
336.13000	19.8
337.08347	11.7
337.12827	7.5
338.08856	4.7
339.09534	6.2
353.11459	28.2
370.11401	8.4
416.16022	5.1
418.16891	6.7
458.16959	8.6
459.18140	5.2
462.16702	7.8
502.16339	7.4
503.17123	4.5
534.18445	16.5
555.22748	5.0
597.23358	10.1
599.21460	15.0
615.24017	26.1
618.02136	5.1
631.24011	30.7
641.22339	9.7
650.22266	4.7
658.22510	12.4
659.23187	100.0
673.25110	12.5
690.24609	5.4
691.25751	73.0
715.85706	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	691.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	5.9
60.06277	3.5
66.72152	3.4
68.43060	4.0
80.04908	10.8
85.02793	5.3
94.02868	7.5
104.04915	5.9
106.06502	4.8
108.04414	12.8
120.04418	93.5
122.05982	26.0
132.04437	13.6
136.03935	12.0
138.05473	19.8
148.03923	9.6
150.05524	52.0
152.07063	10.0
160.03918	6.3
161.04713	5.7
168.06584	30.8
170.12238	4.5
172.40155	5.1
174.05533	6.4
201.10260	20.3
213.10300	18.3
224.09657	4.4
227.11871	8.2
229.09747	27.7
229.13493	15.3
239.11856	13.8
243.11334	8.7
247.10783	4.9
255.03075	6.6
255.11438	15.3
257.13129	12.7
261.12573	6.1
261.42880	5.2
267.11389	5.2
273.12491	15.3
281.09396	7.7
283.02499	11.0
284.02838	6.2
285.04053	84.9
286.04260	5.7
289.11942	11.5
301.11887	32.3
311.10440	17.3
319.13013	100.0
321.08777	5.9
330.12320	6.2
339.09964	13.7
345.10904	29.4
360.13513	7.5
362.14783	6.5
371.12704	7.8
372.13510	8.7
374.15158	22.2
391.15448	8.8
392.16089	29.2
400.12708	6.5
416.16187	14.3
434.17102	12.0
461.07050	12.2
555.22699	13.2
567.22662	5.4
573.23035	25.0
585.23663	16.2
597.23889	41.5
613.23309	8.8
615.24426	24.8
618.23248	12.4
629.22552	26.1
641.22479	60.4
659.23584	60.1
661.24719	21.1
673.25079	50.5
691.26300	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	691.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98689	2.6
58.31158	2.3
59.01243	3.8
60.38184	2.4
72.61528	3.0
72.75294	2.8
79.79173	2.6
80.04910	5.5
94.02834	10.6
102.66164	3.0
108.04377	3.2
121.05197	4.4
132.04436	3.3
136.07558	68.5
138.05525	6.5
144.44406	3.6
167.92415	3.2
201.10231	5.0
216.53064	3.6
229.13441	9.2
237.10228	4.0
239.12080	4.1
253.09915	4.2
255.11465	3.5
257.12762	4.7
265.06424	3.5
265.09775	9.6
273.12524	4.0
277.09610	4.0
279.11298	5.3
293.09366	14.4
294.09982	4.7
295.10886	5.2
297.12399	5.3
301.11847	9.0
307.10742	5.4
309.12497	5.1
319.13034	28.3
327.13837	4.7
337.08438	7.0
372.17465	4.9
392.15991	3.8
434.17197	5.1
443.18472	4.3
488.18143	10.7
502.19833	13.9
534.22607	22.8
583.25702	20.6
615.27893	7.8
627.24225	16.5
659.27362	100.0
660.28113	4.4
691.29309	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	693.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67429	3.0
52.20451	3.3
54.48522	3.2
59.01233	12.9
62.55770	3.0
66.67454	3.6
66.85729	3.2
72.26903	3.5
96.95852	11.0
99.18621	4.3
108.04406	7.8
120.04404	9.2
121.10548	3.8
122.05978	5.8
124.03918	7.7
132.26175	3.4
136.03908	7.0
137.04692	4.7
138.05502	6.9
143.66016	3.6
148.03917	5.5
150.05487	13.0
160.04034	4.7
161.45261	4.1
201.10304	21.9
213.10368	9.9
227.11757	4.1
229.09822	28.4
229.13524	8.5
237.10245	5.6
239.11833	10.8
247.10973	7.1
250.22424	4.1
251.08348	4.5
255.11606	6.1
265.09747	6.2
267.08002	4.7
273.12576	8.9
281.09354	8.6
283.14688	4.9
289.11929	6.0
289.78308	4.9
293.09174	6.3
301.11923	33.1
315.13522	10.6
319.13007	100.0
325.55130	4.5
335.12558	7.7
527.22729	6.0
571.22345	10.2
583.21631	5.3
589.23065	34.9
601.23450	23.9
613.23169	61.5
631.24207	45.3
649.24860	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	693.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56065	1.1
56.34414	1.1
59.01228	3.4
70.26584	1.3
71.01286	1.9
82.02824	1.6
82.83063	1.5
88.91880	1.4
94.02840	5.5
96.95857	1.9
99.30203	1.4
108.04430	2.9
120.04426	10.3
122.05983	9.4
124.03947	3.3
132.04443	11.9
134.05991	4.3
136.03934	2.8
136.07533	11.4
138.05495	6.8
140.06050	1.6
146.03647	3.4
150.05479	10.5
161.04718	2.1
168.06581	6.3
176.03447	13.7
186.09132	4.4
201.06543	2.4
202.12381	2.2
205.04883	1.7
212.10899	2.7
214.08827	2.6
215.08212	4.1
227.08302	3.3
228.10349	2.4
229.09793	20.0
230.11998	7.4
241.09853	2.0
243.11409	5.6
245.09268	4.9
255.11348	13.5
256.12042	2.1
257.09354	13.8
257.12982	3.0
267.06711	3.0
273.09497	2.9
273.12411	19.1
282.08929	3.1
297.11215	8.2
299.10382	3.5
317.11469	18.2
334.11792	1.8
335.12500	100.0
336.12750	3.3
357.10953	23.2
456.17877	5.5
501.21307	2.0
513.16229	2.2
543.22510	5.3
561.23608	5.8
571.22485	1.9
589.23010	4.7
631.24225	2.3
649.25385	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	693.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40205	0.7
59.85990	1.0
80.04901	3.9
82.02835	4.0
86.22506	0.8
94.02839	46.4
94.06513	1.3
96.04411	3.2
104.04946	1.8
105.05663	0.9
106.06481	1.1
108.04411	16.1
110.05995	4.7
116.15786	1.0
116.82406	0.9
120.00948	1.5
120.04416	100.0
120.08054	16.0
122.05991	13.7
132.04440	4.3
134.05983	2.2
136.03912	3.5
137.04684	1.1
138.05489	52.2
148.03929	4.1
150.05492	49.6
150.07291	1.0
151.06255	1.5
152.07086	7.3
158.02362	1.0
160.03946	3.3
161.04710	2.4
162.05504	1.4
164.07074	2.3
166.04976	1.7
168.06567	38.7
169.85310	1.0
174.05482	3.0
174.93842	0.8
176.88846	1.0
180.06485	1.1
187.08759	1.1
190.05003	3.4
194.08286	0.9
207.09171	1.2
210.07822	1.7
211.08566	1.0
211.12306	2.1
213.10429	2.2
213.13989	0.9
213.88278	0.8
215.11841	2.4
221.10838	1.4
223.08727	14.8
224.09445	7.5
225.10278	5.7
231.11250	1.3
235.08714	1.3
235.12340	4.2
236.09549	4.2
237.10298	31.6
237.13913	1.9
238.07301	1.1
238.11089	9.6
239.08173	1.8
239.11879	31.1
249.06590	2.8
249.10336	3.6
250.07619	1.1
250.10971	1.8
251.08231	6.9
251.11871	13.2
253.09752	2.2
255.11372	1.8
259.10858	1.8
261.10123	1.7
261.12604	1.7
262.07501	2.4
263.08273	9.3
263.11725	2.0
264.09024	14.4
265.09833	12.0
266.10349	1.5
267.11389	2.8
271.10876	2.5
276.09061	3.3
277.09790	8.5
278.07562	1.7
278.10513	9.2
279.11380	51.2
280.12033	6.0
281.09271	3.5
281.12915	3.9
283.10788	7.2
290.10556	2.0
291.11356	11.6
292.12045	4.3
293.09296	2.8
293.12985	2.3
295.10907	2.2
303.13535	1.6
305.09103	2.2
309.08850	1.1
311.10349	3.6
311.13992	2.7
314.12891	1.3
321.08817	1.3
323.10428	8.1
324.11096	4.1
325.12024	1.9
329.11603	2.0
329.15051	1.1
332.17664	2.1
334.15607	4.4
339.09854	1.9
341.11377	2.1
342.12424	5.3
342.16019	1.1
343.13098	1.4
344.17697	2.7
354.12460	1.6
355.13055	2.0
356.14169	4.5
357.14880	2.9
358.15665	2.0
368.13956	1.0
370.15668	3.7
371.12509	1.9
372.13245	1.2
372.17224	5.4
374.14667	2.2
374.19003	2.1
375.15826	1.8
376.16644	4.4
384.17258	2.9
388.16660	6.0
398.14798	1.9
398.19351	1.4
400.16672	7.8
401.17136	1.1
402.18405	3.1
412.16739	4.3
413.17386	3.0
414.18228	2.8
415.18912	1.5
416.16019	11.1
418.17786	23.6
419.18622	1.3
420.19388	1.8
424.16354	1.3
428.16339	1.6
430.17728	4.8
434.16937	5.8
442.17947	8.0
446.17319	15.2
457.16199	1.9
459.18005	1.8
460.18796	5.0
462.16940	1.7
463.17618	2.7
464.18332	13.4
474.16830	2.4
475.17453	3.3
486.16611	7.5
487.17578	7.0
495.24026	2.5
497.22556	1.5
504.17844	4.2
506.19461	5.4
509.22141	1.4
513.25018	1.1
515.23010	1.8
518.19318	12.1
527.23578	1.4
536.20459	17.9
539.22906	6.8
557.24664	2.1
571.23639	3.3
575.25153	3.4
581.24115	4.9
583.21942	6.9
595.21765	1.1
599.25183	8.1
601.23102	3.6
603.24689	11.6
604.25439	1.2
613.24274	3.4
615.24597	19.1
617.25873	1.7
625.22791	5.6
631.24304	6.0
633.25665	20.9
634.26135	1.9
643.24268	25.2
644.24292	1.7
645.25769	8.4
657.25812	12.1
658.27063	1.6
661.25214	13.1
663.26685	15.9
675.26740	48.4
676.27234	3.3
693.27820	62.7
694.27838	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	693.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03647	0.8
58.43121	0.9
59.01236	1.1
67.50743	0.8
72.90363	1.0
80.04913	4.8
81.11284	1.0
82.02829	3.6
92.04918	1.4
94.02840	54.0
94.06477	2.5
96.04404	4.2
99.14088	0.9
99.43484	1.0
104.04935	2.7
108.04414	16.3
108.83854	0.9
110.05962	2.8
120.00655	1.1
120.04418	100.0
120.08055	43.5
120.08936	1.7
122.05984	17.4
132.04439	5.8
134.06018	5.4
136.03871	3.4
137.04683	1.7
138.05489	61.6
146.05980	1.5
148.03886	3.6
150.05493	52.3
152.07051	7.8
158.02400	2.9
160.03923	4.5
160.07628	1.3
161.04686	3.8
162.05496	2.0
164.07068	4.4
166.04921	1.1
168.06563	28.7
174.05562	1.9
176.03481	1.1
187.08659	1.7
190.05016	9.4
210.07956	2.6
211.08788	2.1
211.12422	2.1
213.10307	4.3
215.11832	2.8
221.07169	1.2
221.10847	3.4
222.07974	1.3
223.08698	13.0
223.12326	2.0
224.09479	3.9
225.10289	4.3
229.09760	1.4
231.11406	2.6
233.10696	2.0
235.08792	2.8
235.12358	4.7
236.09564	4.3
237.06645	1.5
237.10327	21.4
238.08994	1.3
238.10960	6.2
239.08279	1.2
239.11887	13.7
243.11395	3.1
247.08522	1.3
248.09641	1.5
249.06653	5.0
249.10298	6.5
250.07434	1.7
250.10994	2.2
251.08328	7.3
251.11868	12.3
252.12552	1.7
253.09737	2.4
253.13524	2.7
259.10901	1.9
261.10059	2.1
261.12491	3.7
262.07468	2.4
263.08246	14.6
263.11816	2.9
264.09021	25.4
265.09824	12.6
267.11441	3.0
271.11084	1.3
276.09094	4.4
277.09836	13.4
278.07700	1.8
278.10602	14.3
279.11411	76.6
280.12106	8.3
281.09293	4.1
281.12994	4.2
283.10947	2.9
290.06567	1.1
290.10553	2.0
291.08127	1.4
291.11343	17.6
292.12131	6.2
293.09335	3.8
293.12927	3.7
295.10852	2.9
303.13571	3.5
305.09354	3.1
309.08762	2.6
311.10321	6.9
311.14044	3.7
312.11044	1.3
313.11966	1.4
321.08875	4.4
322.09564	2.1
323.10361	13.0
324.11139	7.6
325.11734	1.2
326.12912	1.6
329.11502	1.6
334.15790	1.5
335.10303	1.2
339.09927	6.8
340.10303	1.6
341.11319	3.0
342.12323	2.6
342.16092	1.3
353.11472	1.4
354.12308	1.3
355.13245	2.0
356.14120	3.8
357.14758	1.7
358.15698	1.7
368.14011	1.8
369.14993	1.7
370.15692	4.3
371.12396	2.1
371.16644	1.5
372.17236	3.3
374.14868	1.7
375.15808	1.5
376.16840	4.9
384.17392	1.8
386.14545	1.9
386.18939	1.6
388.16660	5.7
396.13400	1.4
397.14236	1.8
398.14526	1.4
400.16699	3.8
401.17404	1.4
405.66367	1.2
412.16653	6.8
413.17462	2.5
414.18341	2.4
415.19037	1.8
416.15720	5.9
418.17847	8.9
424.16714	1.5
428.16312	2.8
430.17703	3.7
431.18875	1.9
432.15518	2.0
434.17355	1.8
440.16321	2.0
441.17007	2.9
442.18024	7.7
443.18695	2.3
446.17194	5.5
448.19333	1.2
456.15765	1.4
457.16833	2.5
459.17819	1.9
460.18759	4.8
461.19391	1.3
464.17697	2.2
468.04819	1.2
468.15271	1.5
469.16550	1.9
474.16653	4.0
475.17471	5.3
486.16766	14.3
487.17542	13.8
495.23856	2.1
504.17673	8.7
505.18185	2.9
506.19409	4.4
509.21503	1.4
518.19257	11.0
529.44385	1.3
536.20496	34.8
537.20514	2.6
539.23169	6.6
557.23920	4.3
569.23975	3.3
571.22357	3.7
581.24091	6.9
583.22278	10.8
599.25006	12.7
601.23083	13.9
602.23541	1.3
603.24689	8.1
613.22937	7.3
615.24689	11.0
625.22961	9.9
631.24182	23.3
633.25696	25.4
643.24182	74.7
644.24365	3.8
645.25696	4.0
657.25391	7.7
661.25238	66.7
662.25439	2.4
663.26746	9.6
675.26746	37.4
676.26947	1.8
693.27814	54.5
694.28052	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48904	4.2
59.01235	4.9
64.30779	4.6
80.04899	12.5
82.02839	5.7
88.61339	4.9
89.91249	5.5
91.72784	6.4
94.02837	90.4
96.04416	5.2
96.56306	5.9
104.04926	13.4
106.06509	12.0
108.04422	30.2
120.04424	60.8
120.08052	65.6
122.05998	22.9
124.03905	36.7
128.67885	5.2
132.04434	19.4
134.06009	47.5
138.05495	55.3
140.15668	5.9
148.04012	11.1
150.05486	82.6
152.07040	19.7
155.11043	5.2
160.04091	6.1
164.07077	8.2
168.06589	6.0
173.04807	5.7
190.05052	11.6
195.08754	5.5
211.08902	7.8
211.12378	6.2
213.10135	10.8
223.08760	18.3
224.09506	10.1
225.10324	16.0
235.08731	6.2
236.09514	8.4
237.10335	36.0
238.11119	7.1
239.08112	9.0
239.11952	25.0
247.08801	7.5
249.06721	7.6
249.10358	20.2
251.08237	12.8
251.11916	15.2
253.09840	8.4
263.08301	22.4
264.09045	25.5
265.09933	19.2
267.07474	9.5
267.11313	11.8
275.12067	7.0
276.09045	10.4
277.09824	26.3
278.10663	30.6
279.11337	100.0
281.09824	6.6
281.12891	11.3
290.10602	7.3
291.11414	18.9
292.08807	8.6
292.12192	6.9
293.09415	18.0
295.07394	10.5
295.10818	13.8
298.77188	5.4
305.09186	9.3
321.08704	13.0
323.10349	7.1
324.11139	10.6
327.93616	6.4
335.10382	6.2
369.15121	9.1
370.11636	6.9
370.15704	8.7
374.14957	11.0
376.16635	8.0
382.15720	13.7
383.16556	9.1
384.13431	9.6
388.16815	9.1
396.17331	8.3
398.15054	13.6
400.16678	14.9
410.14990	9.1
424.16647	31.6
425.17508	17.0
426.18359	8.4
428.16501	11.5
456.15921	7.6
457.16388	11.2
460.19052	12.2
463.48483	6.8
468.15781	12.6
469.16406	9.8
492.18048	24.9
504.17578	19.3
518.19489	33.2
521.21985	23.3
536.20154	36.2
537.22156	6.6
555.22412	6.7
557.20251	7.8
563.22876	12.9
581.23883	35.2
583.21930	10.5
589.22479	9.4
597.23596	9.7
599.21478	32.3
607.22253	12.1
613.23010	35.1
615.24554	12.8
617.22595	76.0
625.23187	54.3
631.24231	22.1
633.25800	12.1
643.24060	98.3
645.25470	18.9
649.25348	44.5
657.25702	75.3
661.25519	15.4
675.26605	66.7
693.28003	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	693.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29522	6.8
57.19189	6.5
67.40508	7.1
80.04917	10.2
91.72659	10.2
94.02812	43.5
102.82458	8.0
119.45866	8.3
122.05981	42.4
132.04462	10.4
134.05981	83.4
136.07573	62.1
138.05539	19.5
150.09073	9.7
152.07072	100.0
156.22256	9.2
168.06601	32.3
188.07103	21.3
190.05084	32.2
224.09613	10.0
237.10487	12.0
244.58984	9.2
249.10356	11.4
251.08705	10.6
253.09840	11.2
261.42239	9.4
265.09760	11.4
278.10660	18.2
279.11386	10.6
293.09378	21.1
295.10962	42.7
307.10886	24.6
341.11597	13.5
351.55826	9.2
355.13083	69.5
357.14722	13.5
391.24750	11.3
442.17761	16.7
460.18753	29.6
474.17050	11.7
486.16547	22.1
492.17392	17.6
504.18045	88.5
506.18835	11.3
518.19159	15.8
536.20374	71.9
601.23724	12.3
615.24261	12.4
631.26093	13.2
633.25763	28.6
643.24078	45.4
661.25006	14.9
675.27069	29.1
693.27374	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	693.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86769	1.2
54.22934	1.2
59.01245	1.8
75.80198	1.3
80.04923	6.5
82.02863	1.6
94.02835	16.2
94.06492	1.5
95.94510	1.4
96.95850	1.6
104.04936	3.5
104.60503	1.6
106.06486	7.5
108.04429	4.5
108.08023	1.8
120.04411	5.4
120.08078	4.1
121.05229	1.7
122.05994	21.4
132.04460	4.3
134.05992	40.4
135.06317	2.4
136.03914	3.1
136.07559	22.4
138.05525	5.4
146.06015	4.6
147.03233	1.7
148.03940	4.4
148.07599	1.7
150.05499	6.0
152.07059	47.1
166.05006	4.0
168.06709	1.8
170.64616	1.4
173.04666	2.2
174.05482	3.9
180.06561	5.1
188.07098	17.2
189.07338	1.9
190.05045	5.7
211.08795	3.3
215.11775	1.8
221.10605	1.8
225.10234	8.1
226.11052	2.2
227.11874	4.5
236.09456	2.0
237.10367	4.8
238.07396	3.2
239.12003	2.7
239.67924	1.5
241.09850	1.9
245.12932	2.1
248.09578	2.0
249.10219	3.1
250.07469	1.7
251.08223	2.5
251.11989	5.9
252.12769	3.5
253.09779	14.9
253.13519	3.3
254.10486	3.1
263.08334	3.6
264.09042	2.8
265.09811	6.5
266.10489	2.8
267.11423	4.7
277.09900	6.1
278.10556	2.0
279.07785	5.3
279.11432	5.4
280.08667	2.2
281.12271	1.6
291.07632	3.0
292.08609	2.5
293.09286	12.9
294.09976	5.1
295.10907	41.2
296.11319	5.1
305.09274	5.7
307.10886	16.2
321.08841	2.6
324.10959	2.3
335.12469	3.3
336.13089	2.1
355.12997	6.8
368.13376	1.7
398.18774	2.4
399.19659	3.0
414.18451	4.4
418.17734	2.6
419.18625	2.2
430.17883	7.8
442.17770	15.9
458.17255	1.8
460.18771	11.9
474.16833	9.8
486.16653	24.6
502.16489	2.1
503.16458	4.0
504.17697	35.2
506.19403	9.6
518.19269	28.4
535.18835	2.6
536.20319	100.0
537.20721	3.7
557.24805	3.0
589.26514	2.9
599.24951	5.1
617.26343	9.3
619.24561	4.3
631.24121	2.7
633.25647	3.5
643.23749	5.1
649.28894	2.2
660.23792	1.9
661.24829	13.4
675.26495	2.8
693.27704	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60712	1.5
58.02839	0.7
59.01248	2.5
61.74763	0.3
74.02329	0.8
83.24731	0.4
84.04401	3.3
91.72682	0.6
94.35216	0.4
95.04877	0.4
96.00743	0.6
96.94968	0.3
100.07542	3.9
102.02538	0.5
102.05460	39.1
106.04070	0.6
107.01241	0.5
113.84223	0.4
125.09688	0.4
125.48259	0.4
127.99231	0.7
128.03409	59.0
128.07144	0.9
129.03723	0.4
133.02861	3.1
146.04472	10.6
146.07339	0.4
149.09608	0.7
151.00270	1.2
161.09546	0.5
163.07497	0.9
163.11172	4.1
175.03951	0.6
176.11964	0.6
177.09125	0.9
179.10698	1.1
181.12282	1.4
189.12799	1.8
190.88200	0.4
199.03911	0.5
202.86737	0.4
207.17519	1.3
212.10535	0.4
217.15915	8.1
235.17049	2.2
260.16568	0.6
261.15042	3.2
274.08603	1.0
276.77676	0.4
279.16022	19.3
285.04056	19.3
327.13531	0.8
336.08554	0.5
346.20383	0.7
364.21320	3.8
366.09583	2.2
390.19238	6.3
408.20303	100.0
409.20590	2.4
625.52704	0.5
626.55701	0.5
661.43842	1.1
694.23163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73700	3.9
50.89093	4.3
58.37543	4.5
82.02856	6.5
94.02837	77.7
96.04414	15.7
96.95889	14.9
108.04409	22.0
108.91103	4.7
120.04412	24.9
120.08048	100.0
122.05960	40.0
124.03923	14.6
132.04449	21.2
132.93877	6.3
134.06029	13.0
136.03923	37.9
136.07603	7.1
138.05479	58.0
146.06007	14.6
146.09714	6.7
148.03908	17.2
150.05499	12.8
152.06932	6.0
164.07146	10.6
166.05009	20.7
168.06570	7.8
185.07175	5.4
211.08736	7.0
215.11798	7.1
223.08788	18.2
225.10294	14.7
237.10376	24.9
238.11191	32.3
239.11853	15.6
241.09773	11.1
243.11391	9.8
251.08095	9.3
251.11926	19.0
252.12715	8.6
253.09676	11.5
253.13437	90.1
259.10867	5.4
263.08337	12.0
265.10193	7.0
265.13495	15.7
267.11383	7.3
269.09378	10.6
279.11429	15.2
281.09216	12.4
285.12485	12.8
293.09534	9.4
303.13599	13.3
371.15854	8.5
372.17197	27.1
373.17770	9.3
376.16754	7.1
384.17529	6.9
386.18848	20.3
414.18372	22.2
434.17160	18.4
446.17108	9.7
458.17136	28.3
476.18127	26.8
494.19305	15.4
531.22308	14.6
543.23322	12.2
555.22467	57.6
561.23553	8.5
573.23657	63.4
585.23267	17.1
591.24554	74.4
592.24866	7.6
597.23206	33.0
603.24860	19.6
615.24579	99.2
621.26196	8.4
633.25592	58.9
651.26733	25.1
652.25757	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	695.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28322	0.3
56.86512	0.3
59.00074	2.0
59.01242	100.0
59.02558	1.0
59.07936	0.3
60.01580	0.6
65.20549	0.3
66.48705	0.3
67.72363	0.4
78.95760	9.2
78.96203	0.8
80.19339	0.4
80.96384	0.9
91.73003	1.9
94.97922	0.5
97.56350	0.4
99.73378	0.4
117.50363	1.4
146.66518	0.4
205.15918	0.6
238.17004	0.5
271.86383	0.4
290.28940	0.5
353.85229	0.5
505.33893	0.5
514.48126	0.5
567.25067	0.5
653.31042	0.6
695.31146	39.3
696.30920	2.3
701.23059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76563	0.3
58.85894	0.3
58.92284	0.3
59.00213	1.2
59.01243	100.0
59.02420	1.9
60.01572	0.6
60.74536	0.3
63.58142	0.4
78.95754	0.5
79.18878	0.4
83.63308	0.4
97.08551	0.3
118.21366	0.4
120.36875	0.4
121.02827	2.0
160.67480	0.4
161.90356	0.4
191.03468	0.7
209.04550	1.0
217.00287	0.5
332.16693	1.8
333.17084	0.6
333.20786	1.0
499.26501	0.4
507.74881	0.4
593.13501	0.9
652.81433	0.6
655.77313	0.7
698.33844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79671	1.2
53.81179	1.3
53.88634	1.3
56.15201	1.4
57.03315	9.8
65.96462	1.4
69.30338	1.6
71.01242	1.7
76.61276	1.4
93.03326	2.5
96.95878	3.8
99.04404	2.4
101.02296	5.2
108.02038	14.7
121.02769	2.3
122.03613	6.8
123.04382	40.3
125.02298	3.3
136.07574	3.9
156.95636	1.8
160.96611	1.9
174.24707	1.6
196.63075	1.8
204.06677	2.6
217.09627	1.7
229.08669	100.0
230.08963	3.8
285.04099	3.6
311.10699	2.2
391.14011	25.8
422.15219	1.8
433.14920	9.7
553.18762	7.9
595.20178	2.5
697.23456	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07959	1.8
69.87702	1.8
71.17365	1.7
80.69939	1.8
82.13665	2.0
86.53110	1.8
93.33304	1.9
96.95840	2.3
106.06483	5.4
122.06002	2.7
132.04393	3.4
134.06021	16.5
136.07535	2.8
150.05510	3.3
152.07054	7.4
158.64836	2.2
190.05016	4.7
198.79729	2.1
201.10274	3.0
223.08734	3.6
238.10950	3.2
239.08527	2.4
249.10242	2.6
250.34090	2.2
253.13248	2.2
277.09689	4.0
295.10800	5.7
301.12015	2.9
303.32074	2.2
305.09113	7.5
310.18866	2.1
317.08844	2.2
319.13007	3.6
323.10199	17.9
327.10449	2.1
337.08121	4.0
339.10062	2.4
341.11176	17.4
344.14120	2.8
355.13171	6.3
392.13815	3.5
396.13538	2.7
420.13443	5.1
436.12601	3.0
438.14401	3.4
450.14740	2.9
454.13904	4.5
482.13693	2.9
567.20087	2.3
603.22046	3.7
617.20270	4.1
621.23523	3.9
635.21326	7.6
647.21222	21.3
665.22302	100.0
666.22736	4.4
667.24512	4.3
679.24054	13.1
697.24829	64.3
698.25366	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	697.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47819	2.3
64.46235	2.4
64.99829	2.7
65.66311	3.1
68.25263	2.3
69.92098	2.5
74.45319	2.4
74.95671	2.5
79.67620	2.8
85.64999	2.9
90.45244	2.6
106.06512	5.3
122.05967	5.6
132.04459	5.1
134.06000	12.4
150.05502	3.5
152.07022	7.4
156.35564	3.2
190.05109	4.2
213.10419	3.1
238.11165	4.0
249.10144	4.9
259.36151	3.1
267.11307	3.2
277.09576	4.1
279.11270	3.5
291.11407	5.0
295.10629	3.8
305.08984	6.5
323.10114	13.4
341.11136	20.2
355.12952	5.7
392.13782	3.6
408.13156	4.3
420.13083	4.4
429.71097	3.5
438.14508	5.2
446.14877	5.0
509.15808	6.2
540.16644	14.4
603.21851	5.6
605.20874	4.9
635.21338	10.7
647.21411	34.6
665.22357	100.0
666.22266	4.3
679.23853	16.8
697.24854	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	697.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93172	2.3
58.05269	1.9
64.09026	2.0
67.81196	2.3
70.33238	1.9
70.44073	2.1
70.48270	2.0
91.73381	3.6
94.02845	11.5
96.95868	3.9
99.82578	2.3
102.14030	2.3
110.02302	3.1
110.05952	2.2
120.08089	10.4
124.03918	100.0
124.07435	2.6
136.03958	9.0
138.05504	5.0
154.05032	6.6
199.15129	2.9
251.11964	3.2
263.08398	4.6
277.09836	3.5
278.10852	3.2
291.11301	4.5
293.13049	4.3
386.15399	3.3
476.18375	3.8
507.81497	2.8
569.21039	4.5
575.21759	4.6
587.21338	24.6
599.22516	4.0
601.23804	4.8
607.24817	7.5
619.24280	19.4
629.22632	6.5
635.23120	4.2
647.23560	8.8
661.25543	5.1
667.25653	3.6
679.26093	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	699.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29019	10.8
64.85210	11.2
67.33433	14.1
71.64393	10.4
96.95930	16.6
101.30080	11.7
128.03458	30.3
140.03239	12.6
143.04564	17.5
152.07025	25.0
263.08463	17.6
278.10562	18.6
279.11426	16.5
294.60477	14.4
305.09064	29.3
317.08893	13.7
345.08658	36.8
392.21259	17.4
436.16321	16.2
466.17197	41.6
510.16339	41.1
511.17197	54.9
542.18744	100.0
639.24408	23.2
649.22546	75.1
667.23767	49.5
681.25500	67.2
699.27405	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02785	2.7
75.16798	3.0
83.88736	2.5
91.73367	6.3
94.02813	3.2
106.06472	6.4
134.05988	31.3
136.07538	4.4
152.07062	7.0
192.19554	3.0
215.32649	2.6
223.08786	4.4
237.10248	4.1
238.11066	7.8
245.81577	3.0
246.34825	2.7
249.10269	8.3
251.11954	7.2
263.08301	9.3
273.10428	3.1
275.08228	5.1
277.09961	14.0
278.10538	13.4
279.11365	17.3
281.49524	2.8
291.11276	3.3
293.23703	2.7
301.09622	16.4
305.09079	23.0
323.10287	6.1
345.08652	16.0
346.09271	7.2
357.08755	6.0
360.07318	4.5
392.13614	3.5
398.18808	9.4
406.15775	4.1
420.17456	4.3
426.18173	6.3
433.13925	6.1
434.14746	3.2
438.16931	3.7
448.16418	26.7
449.17255	10.9
452.15759	11.6
465.16565	3.4
466.17444	3.7
468.15225	4.2
492.15469	12.1
493.16107	24.3
494.17023	7.7
510.16431	16.4
511.17136	25.2
542.18890	100.0
543.19720	6.0
631.21710	8.7
639.24664	8.9
649.22723	40.0
667.24060	64.3
681.25519	42.0
682.25623	3.4
699.26654	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	699.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04221	4.9
65.08704	5.5
96.95862	9.0
105.24510	6.4
122.05993	14.2
141.61885	6.6
152.07065	34.1
214.14363	7.1
238.11147	11.5
249.10286	8.3
251.08455	9.2
251.12038	12.4
263.08234	8.0
277.09961	11.7
278.10721	14.6
279.11371	17.9
291.11560	11.5
301.09653	21.4
305.09180	23.5
306.56720	6.7
345.08582	28.2
346.09375	14.2
466.17331	27.9
510.16409	45.2
511.17273	54.3
542.18774	100.0
607.21942	9.6
639.24188	15.7
649.22833	69.2
667.23779	43.6
681.25604	71.6
699.26257	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24046	0.8
59.00970	1.6
59.01244	22.6
68.21468	0.8
71.01238	1.7
89.02281	1.2
91.72684	1.7
91.73226	3.0
97.06454	3.6
99.08038	1.1
101.02307	3.2
112.98634	0.8
113.02298	1.2
125.05961	35.6
125.35677	0.9
128.41751	1.0
143.07022	79.8
143.11763	0.9
152.65175	1.0
161.04448	1.1
170.22534	1.0
235.08156	2.4
253.09312	8.8
277.21735	100.0
278.22064	3.1
304.23175	1.1
513.30511	1.4
568.75555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16745	1.2
51.16950	0.4
59.01242	17.5
61.55831	0.4
61.59331	0.4
64.78765	0.5
71.01234	1.1
78.75261	0.5
83.01222	0.6
83.46957	0.4
89.02286	1.1
91.72713	1.0
97.13564	0.5
101.02284	1.4
108.80298	0.5
113.02364	0.6
124.70010	0.8
126.52055	0.5
127.11141	1.7
152.09148	0.5
156.70285	0.5
161.04373	0.7
171.10173	100.0
172.10500	1.2
205.19597	0.6
235.08176	1.5
249.18590	44.7
250.18948	0.6
253.09302	7.0
277.21707	1.3
364.66830	0.5
407.19168	2.1
455.20212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62212	0.9
59.01247	2.6
61.97412	2.1
61.98694	100.0
67.41122	0.5
92.34206	0.6
95.49202	0.6
103.36749	0.6
108.36452	0.6
124.36307	0.6
154.33405	0.6
156.20894	0.6
171.10159	7.6
172.10486	3.4
173.10893	1.2
249.18668	1.8
250.18996	1.8
251.19394	1.3
292.95673	0.8
649.74084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71638	0.5
58.02824	0.8
62.54552	0.6
64.84338	0.6
74.02328	1.8
82.02838	1.9
84.04406	3.1
86.02330	9.6
92.81087	0.7
96.95847	0.9
102.98447	1.7
109.07595	1.2
120.01115	10.8
121.02848	1.1
127.04977	2.9
127.08649	13.8
128.03404	100.0
146.08127	2.8
153.06590	7.4
160.01530	3.7
165.01816	0.9
171.07655	34.8
175.03951	5.3
179.04587	1.2
213.03357	1.4
215.06654	3.7
217.11836	0.8
231.04446	7.7
249.05493	72.9
277.12323	0.9
291.85648	0.8
453.17102	2.4
527.07916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39819	1.4
51.98094	1.2
59.01233	4.0
59.60520	1.2
61.30453	1.2
61.41256	1.5
63.07857	1.4
68.72955	1.4
69.38152	1.5
94.02866	2.2
96.95881	2.8
108.04417	4.4
120.04426	13.6
122.05992	8.5
134.06001	1.9
136.03920	4.3
136.07547	10.3
138.05556	3.7
141.47112	1.6
141.62891	1.8
150.05487	14.5
152.07057	1.8
166.04990	2.7
168.06544	4.5
176.03452	3.0
186.09163	3.2
190.05040	2.2
194.04567	3.3
202.07246	2.3
202.12369	2.5
215.08209	2.6
228.10239	4.3
229.09801	14.8
230.11986	9.7
235.08736	2.4
245.09349	5.9
245.12756	1.7
249.10320	4.3
251.11874	2.3
255.11398	3.2
257.09302	9.6
258.09970	2.5
262.07477	2.4
263.08173	12.7
273.12460	22.8
276.09033	2.2
277.09799	6.1
278.10632	20.3
317.11459	20.2
322.09552	2.4
335.12506	100.0
352.62231	1.9
360.81326	1.8
369.10934	5.9
396.10922	1.7
455.14709	2.3
499.14053	3.7
517.14838	6.5
655.20044	2.5
673.21497	24.3
705.23920	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	705.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87447	12.0
63.31670	13.7
70.77495	13.3
101.22951	13.2
108.71365	14.8
120.04450	14.7
133.50685	13.3
134.06027	29.6
136.48863	19.3
150.05536	34.3
165.30444	16.9
188.35690	16.1
198.17287	15.9
229.09789	15.2
243.11433	18.8
249.10297	15.2
257.09390	44.8
281.26172	15.7
293.09360	32.7
319.13147	19.0
334.11758	17.7
335.12466	22.9
349.13995	100.0
402.62402	16.5
432.53943	15.4
467.53363	18.0
488.58386	16.9
563.08386	17.0
611.24512	22.1
655.24756	27.8
673.24945	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	707.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28455	0.3
56.19690	0.3
56.74733	0.4
59.01247	0.6
60.69175	0.3
61.18764	0.3
65.94334	0.3
69.07378	0.4
70.93653	0.3
71.01234	0.5
75.00739	0.4
85.02808	1.6
91.73463	0.6
94.02818	0.7
99.00686	0.7
113.02299	1.9
122.05985	0.5
136.07570	1.1
139.11142	0.5
141.12700	0.6
148.03978	0.4
148.25716	0.4
151.00259	0.4
153.12741	14.5
154.13031	0.4
163.11186	3.3
166.04964	1.5
169.10889	0.6
169.12247	7.8
175.02414	0.8
181.12259	5.6
190.05016	1.1
197.11740	0.8
199.13342	11.0
210.38506	0.4
212.41298	0.4
215.12819	6.9
225.11311	4.0
243.12369	9.5
261.13440	100.0
261.24359	0.9
262.13785	2.6
269.04550	10.1
293.09329	0.4
295.10660	0.4
335.12750	0.9
369.10876	1.1
445.07748	1.5
518.15509	0.7
550.18024	0.6
631.24121	0.5
647.23315	0.6
657.21149	0.5
675.23145	1.1
707.25238	1.0
717.59601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.2
77.30058	0.7
94.02850	2.1
97.53151	0.8
108.04424	3.0
114.81424	0.8
120.04421	2.7
121.05238	1.0
122.05981	8.9
124.03918	3.1
134.06012	1.4
136.03967	4.0
136.07565	9.9
137.04645	0.8
138.05482	2.4
148.03964	1.0
150.05482	9.6
152.07037	0.9
153.20572	0.8
162.05518	0.8
163.07593	0.8
172.07579	0.8
175.23555	0.8
184.59326	0.8
186.09244	3.3
190.05038	3.0
201.06642	2.5
202.07280	1.6
202.12352	2.3
212.10855	1.2
214.07196	1.1
215.08282	2.2
228.10324	3.0
229.09775	15.1
230.11974	8.1
241.19286	1.0
244.19131	1.0
245.09303	5.5
245.13142	0.9
255.11397	4.3
257.09341	7.2
258.10080	2.4
273.12463	25.1
275.10553	1.2
317.11435	16.5
335.12503	100.0
336.12784	1.7
371.12488	7.1
647.23212	1.1
675.23663	1.2
707.26495	1.8
739.56616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.0
62.28762	1.5
65.82267	1.7
67.56429	1.7
69.44149	1.8
71.69334	1.8
73.41740	1.9
78.60638	1.9
79.01871	1.6
80.04958	5.9
92.13941	1.6
94.02866	6.2
96.04369	1.9
99.18497	1.7
104.04949	3.5
106.02877	3.7
106.06548	2.4
108.04391	15.5
120.04435	15.0
122.05985	13.6
124.03928	18.0
124.98355	1.8
132.04457	3.8
136.03932	20.8
137.04774	3.6
138.05502	12.0
147.05545	3.1
148.03938	17.3
150.05536	13.5
160.04015	5.2
162.05470	3.3
166.04999	15.1
168.06627	3.5
174.05513	4.3
175.05180	2.7
176.05872	2.0
190.05054	4.8
192.25531	1.8
192.83383	2.2
199.08736	2.4
201.10272	25.4
202.12418	2.7
211.08873	5.6
213.10379	9.7
217.09857	7.7
223.08786	3.2
227.11964	6.9
229.09799	33.0
229.13243	10.1
235.08873	2.6
237.06706	2.5
237.10390	3.7
239.08302	2.8
239.11823	11.1
241.09947	6.4
247.10973	3.1
249.06831	6.1
250.07547	2.7
251.08357	5.8
253.09843	2.0
255.11407	9.4
257.13144	8.4
263.08444	8.0
265.09940	6.3
267.07800	4.4
267.11560	3.6
273.12390	9.4
277.06302	6.1
278.07065	3.8
279.07861	14.3
279.11108	3.3
281.09467	3.2
283.10910	2.4
285.04083	3.7
287.10739	2.7
289.06329	3.6
289.12070	5.3
291.07892	8.6
293.09445	2.6
295.07367	6.2
295.10641	2.8
301.11938	27.7
307.07382	7.8
309.08893	5.1
309.12305	3.2
317.11761	2.9
319.07196	6.3
319.13016	100.0
320.13452	4.2
321.08856	4.9
327.09995	4.7
327.13608	4.9
330.12485	3.1
335.12595	5.2
337.08496	6.8
354.12439	2.6
355.09451	4.3
358.12009	4.0
359.12845	3.5
369.10959	4.2
370.11926	3.3
372.13782	4.7
373.14221	2.6
374.15170	13.3
384.13712	3.8
387.12048	4.4
392.16306	21.7
400.13190	3.1
416.16299	8.3
418.13998	4.7
432.15851	7.7
434.17221	12.5
446.17349	5.8
493.19260	3.9
523.20087	3.9
529.21387	4.9
530.94678	2.2
535.19714	3.6
541.21234	4.1
553.20459	10.8
565.21289	5.7
571.21851	15.4
577.21448	3.9
583.22028	10.2
595.22064	25.9
597.20081	8.8
609.20337	4.7
611.21680	3.8
613.23096	23.6
615.20923	37.9
616.21161	3.3
621.20673	2.9
627.21271	12.2
629.22357	9.5
631.24780	3.4
639.21051	47.0
640.21619	6.1
645.23303	3.8
647.23596	26.7
648.23730	2.7
657.21948	47.4
658.22662	5.4
659.23950	8.8
671.23737	25.2
672.24396	2.8
675.23181	37.1
677.25024	6.7
689.24811	38.0
690.25385	3.1
707.25702	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	707.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54493	1.1
59.01247	13.7
63.72986	1.2
65.99698	1.5
67.49708	1.0
80.04927	9.1
81.74352	1.8
91.72836	1.7
92.04924	3.7
94.02837	11.8
94.06528	1.7
96.04362	2.8
96.07970	1.3
96.95832	1.9
104.04922	2.9
106.02866	2.2
106.06507	2.1
106.94447	1.3
108.04424	19.8
120.04411	20.4
120.08035	2.5
121.05220	3.6
122.02293	1.7
122.05984	28.7
124.03096	2.2
124.03916	21.3
132.04376	8.5
134.05977	2.9
136.03918	32.7
136.07541	11.2
137.04732	2.8
138.05501	18.8
147.03072	1.6
147.05536	5.5
148.03922	20.2
150.05495	35.2
152.07088	3.5
158.02347	1.5
160.03903	6.5
161.03459	2.0
161.04729	2.8
161.57961	1.4
163.06262	1.4
166.04996	17.7
168.06586	6.4
174.05530	5.3
174.09213	1.9
175.05070	4.1
176.03458	2.9
176.05858	3.9
185.07059	1.8
185.10774	1.6
186.09209	3.4
187.08655	2.4
188.07092	1.7
190.05049	11.5
192.06638	2.2
199.08730	1.8
201.06566	2.2
201.10274	21.9
202.08794	1.5
202.12314	2.1
211.08676	6.5
212.10802	3.3
213.10277	15.9
215.08252	5.2
217.09756	7.0
221.07172	2.5
223.08791	5.9
224.09482	1.9
225.06647	3.1
225.10306	2.7
227.08232	3.2
227.11774	6.9
228.10323	2.3
229.07541	2.4
229.09811	45.2
229.13243	11.8
230.12048	8.2
233.07169	2.0
235.08807	8.3
236.05766	1.7
237.06723	1.9
237.10262	3.7
239.08182	5.9
239.11865	12.7
241.09760	9.1
243.11452	3.0
245.09332	5.7
245.12991	4.3
247.08635	2.8
247.10878	4.2
249.06644	4.9
249.10582	2.1
250.07507	1.8
251.08214	3.9
253.09845	2.8
255.11435	14.5
257.09305	5.9
257.13019	8.3
258.10062	1.7
259.10910	2.7
263.08237	8.7
265.06134	2.6
265.09863	6.1
267.07840	6.3
267.11383	4.0
273.12466	29.3
274.10123	1.7
275.10516	2.5
277.06256	4.7
277.09525	2.0
278.06955	5.0
278.10300	1.9
279.07755	13.6
279.11057	3.2
280.08374	1.7
281.09256	5.9
282.09982	1.9
282.23477	1.6
283.10925	1.6
285.08752	2.6
287.11649	1.4
289.06342	1.9
289.11957	10.8
291.07828	15.4
292.08524	1.8
293.09351	4.1
295.07251	6.9
295.10812	4.4
297.08923	2.2
297.12259	1.5
299.10696	1.8
301.11945	26.3
302.12424	2.4
305.09317	3.4
307.07281	8.0
307.10986	4.5
309.08823	7.8
309.12460	4.9
309.40326	1.5
316.10916	1.7
317.11462	17.0
319.07574	7.4
319.13022	100.0
320.07898	3.4
320.13339	4.5
321.09052	1.9
323.10373	2.4
325.11768	2.6
327.09869	5.7
327.13651	5.2
328.14600	1.6
330.12558	2.8
331.13458	2.3
332.13934	3.0
335.12512	81.3
336.12735	4.2
337.08383	8.7
337.12747	3.0
337.78882	1.7
339.09634	3.3
342.12582	2.5
344.10403	2.0
344.14066	3.4
351.09821	2.5
354.12421	1.9
355.09406	2.5
356.14240	2.2
357.14941	1.8
358.11929	2.6
359.12720	4.0
360.13434	4.1
360.29395	1.6
362.15210	2.4
369.10757	9.1
370.11893	4.1
371.12564	9.8
372.13629	9.2
374.15140	14.5
378.14658	2.0
378.77185	1.7
383.12820	2.2
384.13449	2.0
386.11267	3.4
386.15280	5.1
387.12393	2.1
390.14801	2.2
391.15454	3.6
392.16211	21.5
393.16797	2.0
400.12723	2.4
401.13898	2.5
402.14569	2.8
403.14957	3.7
404.16519	2.9
414.14615	3.2
415.15009	2.2
416.16397	13.2
418.14133	4.1
432.15588	8.5
434.17410	8.9
444.16061	2.3
446.17139	4.0
478.16620	2.5
493.19031	5.5
505.18945	2.3
506.18854	1.7
511.19537	1.7
519.16980	1.6
520.17609	2.0
523.20020	6.0
524.20337	2.2
525.21777	3.4
529.21295	4.1
535.19781	5.8
536.20697	1.8
537.18201	2.9
541.20856	5.6
550.18494	4.0
553.20898	13.8
554.21069	3.0
565.21326	6.4
567.22076	4.5
571.22150	19.5
577.21075	3.3
583.22192	10.9
585.20062	3.0
595.22101	31.4
596.22241	2.4
597.19922	11.9
598.20422	2.6
609.19928	8.0
611.21417	5.7
613.23157	20.2
615.21045	45.7
616.21600	4.4
627.20978	16.1
628.20978	1.6
629.22449	11.4
639.21033	56.5
640.21930	4.1
641.23016	1.9
645.22339	4.1
647.23682	36.0
648.24323	2.9
657.22168	46.1
658.22571	3.8
659.23688	10.0
671.23706	30.8
672.24371	3.2
675.23096	27.6
677.24921	6.4
677.34711	1.9
689.24628	38.4
690.25250	2.3
707.25604	25.4
708.25775	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	707.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17594	0.5
59.01241	2.5
68.30579	0.6
75.43633	0.6
78.47176	0.6
79.04416	0.5
81.48206	0.6
83.01259	0.7
91.15774	0.6
94.02833	1.7
98.02315	0.6
108.04404	2.2
120.04419	3.1
122.05987	10.5
124.03918	1.3
134.05988	1.7
136.03923	3.9
136.07558	10.1
138.05447	2.6
150.05490	9.5
152.07034	2.6
168.06578	2.1
176.03366	0.9
186.09151	3.3
187.11220	0.6
188.10809	0.6
190.05023	3.1
201.06616	2.4
202.07439	2.4
202.09012	0.8
202.12315	2.3
212.10843	1.9
213.06616	1.1
214.07214	1.4
215.08020	3.0
228.10320	3.7
229.09798	16.4
230.11998	10.3
244.08438	1.2
245.09357	5.1
245.12880	0.7
255.11368	4.6
257.09329	8.1
258.10089	2.0
259.10962	1.1
261.90009	0.9
273.12479	23.3
273.15479	1.3
274.10587	0.9
275.10385	2.0
299.10315	1.2
317.11453	17.4
334.11615	1.3
335.12515	100.0
336.12875	2.6
371.12497	6.0
647.23785	0.7
705.94324	0.8
707.26001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78179	4.7
68.99666	14.8
73.93385	4.9
77.04258	4.1
78.34499	4.6
80.43790	4.8
86.10288	4.2
94.02847	100.0
96.04419	15.6
99.00735	60.6
106.65459	4.6
108.04403	6.8
110.05963	10.6
117.96297	4.9
126.55597	5.8
129.05714	10.2
134.06009	16.3
136.03918	15.5
137.04698	10.2
138.05470	71.0
142.06598	6.1
144.08081	45.1
156.06564	8.1
172.07616	53.9
174.09151	22.6
198.07925	21.1
204.10271	31.1
213.10327	48.8
213.25868	5.7
225.10202	8.5
227.11810	11.1
230.08168	8.3
231.09161	12.5
231.11369	84.7
232.09824	13.0
244.06483	5.3
251.11813	7.9
255.11496	6.3
257.09372	24.8
269.12930	31.6
275.10391	20.9
276.08820	28.5
281.09503	6.3
293.12878	8.3
299.10385	20.9
311.10583	9.3
311.14038	21.9
327.13504	14.0
345.14578	25.2
369.14645	18.5
371.12628	8.9
387.15689	62.4
405.16724	16.1
413.13696	11.6
431.14517	25.2
587.24969	18.9
603.24768	14.4
631.24420	6.7
645.25708	8.4
663.26746	14.2
675.24188	6.8
707.25818	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19799	0.3
57.48386	0.3
59.01241	1.4
59.61085	0.3
61.82868	0.3
63.41346	0.3
66.25755	0.4
67.21657	0.3
85.02795	1.3
88.21523	1.1
89.02305	0.4
90.65108	0.3
90.90894	0.4
91.73026	0.9
93.03326	0.6
101.02285	0.9
103.11932	0.5
106.03384	0.9
106.04102	16.3
106.06446	0.9
108.02036	2.6
113.02354	0.6
116.04963	0.6
129.01819	2.0
132.08044	0.5
138.03085	1.2
142.06465	0.4
146.05992	0.7
146.09624	1.2
148.11261	2.2
153.70117	0.4
153.97311	0.4
156.08028	0.8
172.07684	0.5
174.09152	11.4
191.09488	1.0
191.61896	0.4
197.09663	1.6
212.10738	13.3
213.11160	0.5
218.08301	0.9
222.09180	0.7
223.11346	0.4
223.16965	0.5
224.10738	1.9
232.09477	0.7
234.09058	1.2
237.08932	3.6
238.12109	0.5
250.12393	3.5
251.16565	1.6
252.13966	2.9
254.15567	5.5
258.07233	0.6
260.10681	2.2
262.12311	1.0
272.10565	2.2
274.12149	31.5
275.12555	1.0
280.13446	24.2
281.08029	1.1
281.13760	1.1
284.10516	0.9
298.14526	13.2
299.14493	0.5
300.10150	2.1
302.11621	3.2
309.20807	3.1
310.09546	1.0
318.10443	2.7
320.12704	4.5
322.60754	0.5
324.12424	15.3
325.12784	0.6
338.12833	0.5
342.13480	79.0
343.13885	2.8
346.10620	19.8
347.10800	0.8
364.11667	100.0
365.12088	4.1
397.13544	0.9
415.14560	0.6
645.89954	0.4
692.18298	0.4
707.25513	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	707.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	3.2
60.37997	1.9
80.04906	6.7
82.02834	2.4
91.72723	5.1
94.02846	20.0
104.04929	3.1
106.06487	13.1
107.38868	1.9
119.81051	2.3
120.04422	2.7
121.05308	2.2
122.06013	25.0
129.46188	2.1
131.17664	2.2
134.06001	46.9
136.03926	3.3
136.07536	8.7
138.05466	7.6
148.03964	3.5
148.99345	2.8
150.05498	9.5
150.16524	2.2
152.07063	42.6
155.71242	2.4
160.03966	3.0
174.05505	2.9
188.07077	5.6
190.05090	5.3
201.10295	8.0
213.10220	4.1
215.11917	5.0
222.47981	2.7
225.10330	6.5
227.11855	8.8
229.09789	5.4
229.13435	4.2
237.10310	6.9
239.11882	6.4
245.12984	7.9
248.09518	3.0
249.10353	5.1
250.07359	4.3
251.08319	4.0
253.09831	6.2
255.11360	3.9
257.12860	4.8
263.08301	5.9
264.09119	3.4
265.09839	11.0
267.11462	6.2
273.12500	4.1
276.08908	3.2
277.09793	7.8
278.06970	7.1
278.10571	5.2
279.07831	8.1
279.11441	6.1
292.08514	3.5
293.09344	29.4
294.10150	7.9
295.10864	12.3
301.11868	11.5
305.09393	4.3
307.10867	8.2
309.12466	8.6
319.12991	31.9
323.10498	6.7
327.13370	4.0
337.08252	11.2
355.13147	3.6
372.13275	3.4
374.15076	8.7
386.15244	5.3
392.16168	7.6
413.17856	5.1
416.16272	5.0
426.14697	4.9
434.16977	5.2
441.17212	5.5
442.17899	4.1
446.17044	4.5
456.19519	3.1
459.17880	6.0
473.16068	4.6
474.16046	3.6
474.21268	3.9
485.16019	4.9
486.16693	15.7
488.18686	3.8
503.17108	3.0
504.17484	4.4
518.19458	17.1
532.21252	5.6
550.21906	32.3
569.24078	4.6
581.24054	13.2
599.25452	12.4
613.25958	9.5
625.23016	8.6
631.27338	5.3
639.24139	5.0
643.24139	16.9
645.25592	26.0
657.25671	63.7
658.26147	3.4
675.26752	100.0
676.27734	5.4
677.28503	4.8
689.28308	10.1
707.29443	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	707.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72392	4.7
51.78675	4.6
55.81866	4.8
68.99693	5.3
80.04915	7.3
82.02815	8.4
86.09467	5.7
94.02837	98.5
97.43574	5.1
99.00756	7.9
99.79193	5.5
104.04897	6.0
104.45374	6.8
106.06499	8.6
107.52612	5.5
108.04409	10.3
110.40448	6.5
118.06568	6.0
120.04443	39.4
120.05188	5.8
120.08080	33.3
122.05992	39.3
123.24173	6.4
132.04413	16.8
134.05981	86.2
136.07570	10.8
138.05493	54.0
138.75714	6.9
144.08087	10.0
145.30312	7.3
148.03964	7.5
150.05495	58.9
152.07042	49.3
164.07007	8.4
172.07578	9.7
180.15112	6.8
188.07196	10.2
190.05031	7.5
201.10381	8.3
213.10280	8.7
223.08751	15.8
224.09561	7.2
225.10300	26.2
227.08136	30.8
229.09827	13.0
236.09512	7.4
237.10339	19.7
249.10257	15.7
253.09831	12.6
257.09448	10.1
262.07498	10.6
263.08316	17.4
263.11963	8.0
264.09009	18.8
265.09854	16.0
267.11282	16.6
269.13049	11.1
275.10394	76.2
277.09802	18.1
278.07275	7.6
278.10556	17.2
279.08160	10.5
279.11407	61.4
291.11362	7.1
293.09280	43.9
293.12494	7.4
295.10849	15.0
301.08279	16.9
301.11819	7.1
305.09451	16.3
309.09094	8.7
319.13080	20.4
321.09116	9.7
323.10413	12.0
335.12738	10.1
337.08063	8.5
354.12405	9.1
355.13113	8.5
359.61816	8.9
374.14685	7.9
382.15756	13.0
387.15631	11.2
400.96750	8.2
410.15277	14.8
416.16223	10.9
424.16702	30.8
425.17596	12.3
442.17603	15.3
457.16757	12.7
468.15649	10.6
469.16586	25.2
486.16980	10.7
518.19391	47.7
521.21759	14.4
550.22150	34.6
565.20532	10.7
569.24414	8.9
581.24243	49.4
597.24097	12.0
599.24902	10.4
607.21857	12.2
613.22699	40.7
615.24701	12.3
625.23126	66.5
643.24011	100.0
644.24103	9.0
645.25891	27.2
647.23480	18.8
657.25769	78.9
675.26855	95.9
677.27954	13.8
689.27570	12.9
707.27637	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00536	4.6
67.48640	4.5
80.04941	10.6
94.02839	30.9
95.19392	5.5
106.06524	8.6
122.06045	26.1
128.98216	6.3
134.05991	73.4
136.07588	18.6
138.05530	9.8
150.05615	7.3
152.07059	70.8
152.08012	5.5
188.07143	9.2
212.98364	5.8
215.11819	6.7
225.10246	10.1
227.11966	10.5
229.09811	10.1
236.44266	5.5
237.10371	7.7
239.12082	7.4
245.13016	11.4
250.07571	13.1
252.09250	6.5
253.09982	7.7
255.11456	10.9
265.10013	22.8
277.10025	9.7
278.07071	16.8
279.07697	13.8
291.07834	9.9
292.08664	12.2
293.09335	63.5
294.10257	23.8
295.10745	30.9
301.11945	13.5
306.10242	11.9
307.10986	15.4
319.12808	26.8
321.09064	8.3
323.10419	9.5
337.08426	38.8
339.10089	7.1
353.11316	7.4
412.16742	8.7
424.16763	9.3
429.17001	9.0
441.17471	9.7
442.17871	12.7
473.16370	6.6
474.16684	11.4
485.16165	10.6
486.16904	25.1
504.17731	7.6
518.18854	36.1
520.21381	8.9
532.21124	17.1
550.21960	100.0
613.27063	9.5
639.24524	15.4
643.24713	8.2
645.25494	36.2
657.25708	83.5
675.26740	99.9
677.28113	7.0
689.28558	24.0
707.29797	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	39.0
60.92670	3.6
61.98672	2.5
68.30723	2.6
71.01247	26.7
73.02797	6.7
83.01236	4.2
85.02827	3.8
87.00743	6.6
89.02293	31.3
97.02827	4.4
101.02298	27.6
102.35235	2.8
113.02319	12.9
119.03351	10.8
125.02305	7.6
143.03412	4.6
161.04471	9.9
170.77666	3.3
179.05559	5.9
191.86887	3.1
235.08325	13.8
249.18605	93.8
397.13550	100.0
415.14676	38.7
437.12097	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	42.2
59.51015	1.4
69.03304	1.4
71.00866	2.9
71.01234	30.2
72.99210	1.8
73.02802	4.6
80.13380	1.4
81.03297	1.7
83.01250	3.1
85.02811	9.5
87.00742	6.3
89.02302	28.5
97.02795	4.4
97.65702	1.3
99.00721	2.0
101.02309	27.5
104.75476	1.4
113.02308	13.7
119.03371	8.4
125.02306	10.8
133.04933	1.7
143.03412	4.3
161.04469	7.8
179.05548	5.5
201.88356	1.7
235.08183	11.9
249.18576	81.9
253.09351	4.6
272.49741	1.6
277.09177	1.9
287.07794	3.2
305.08792	4.5
323.09949	2.1
397.13538	100.0
415.14609	32.5
445.33286	1.7
491.50748	1.8
510.64590	2.0
647.32861	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96224	0.4
60.39093	0.5
71.90990	0.5
78.95744	0.5
80.59068	0.5
89.57685	0.5
108.04401	0.8
122.05968	1.7
132.04404	1.6
134.05981	3.1
134.09265	0.6
136.07513	1.3
150.05513	1.5
152.07045	5.1
173.42616	0.6
175.05014	1.0
181.44162	0.6
184.07607	0.8
190.05029	1.2
200.10715	0.9
212.05786	1.0
213.06560	1.1
213.28218	0.7
214.07274	0.8
227.08273	4.2
227.11890	0.8
228.08647	3.2
229.09819	2.7
241.06302	0.9
242.10600	0.7
243.11388	4.1
253.09885	0.7
256.08496	1.1
257.09286	4.5
271.10880	12.6
289.34250	0.6
295.10846	2.2
299.10376	30.1
317.11429	100.0
318.11667	1.3
321.64252	0.7
341.11441	1.8
355.12997	1.8
356.13831	1.9
388.12878	1.2
460.18802	0.8
486.16656	1.2
504.17560	1.6
532.96936	0.7
536.20306	2.8
596.15924	0.7
629.26459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79038	1.7
76.10720	1.9
78.00527	1.6
82.02827	2.0
94.02839	13.8
106.06468	2.8
107.78071	1.8
108.04411	3.8
110.02356	5.9
120.04457	3.5
122.05963	7.6
130.67047	1.8
134.05960	14.6
136.03920	3.1
136.07559	3.3
138.05508	9.1
144.08054	4.1
148.07579	2.9
150.05505	3.2
152.07082	13.4
166.08597	4.7
172.07632	4.5
174.05461	2.3
174.09203	3.8
178.01370	2.7
188.07083	7.7
204.10281	2.5
210.04070	3.7
219.52458	2.0
227.08241	4.5
227.11787	2.5
228.10445	2.2
229.09714	2.4
232.09763	3.8
243.11359	4.4
244.06078	2.0
253.07556	2.6
253.09914	4.4
257.09283	4.5
260.09280	3.4
265.09949	2.4
267.11508	2.9
268.09830	8.9
271.10916	16.9
277.12003	4.3
293.09073	3.5
295.10941	12.1
297.16177	2.3
299.10388	33.9
302.10461	3.1
303.09796	12.4
307.10837	4.2
311.10431	3.1
311.14078	3.3
312.08850	2.8
317.11426	100.0
318.11829	3.9
345.14566	2.6
355.13077	5.8
405.16516	3.9
460.18835	7.1
474.16049	2.1
486.16971	2.6
498.22992	3.7
504.17944	20.9
512.36932	2.8
536.20459	19.2
590.25336	5.4
633.26733	2.6
634.24146	4.1
653.97357	2.2
677.24670	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	709.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
63.85501	0.6
78.22022	0.7
80.04916	5.7
80.05303	1.0
82.02827	1.5
85.50056	0.6
94.02839	15.6
104.04891	2.2
106.06467	3.1
108.04416	9.5
110.06025	1.3
120.04420	33.2
121.05227	1.0
122.05171	1.3
122.05979	9.6
127.76725	0.7
132.04379	2.4
133.95309	1.2
133.96179	1.0
134.06003	8.9
136.03926	0.9
136.07579	4.2
138.05470	15.7
146.06012	3.2
148.03929	2.4
150.05498	23.2
152.07060	5.3
160.03931	2.5
160.07568	0.9
162.05403	1.2
163.59663	0.7
164.07050	1.2
167.56346	0.7
168.06583	14.0
173.04733	1.2
174.05524	3.4
179.88527	0.7
180.06557	9.5
186.05499	1.9
188.07091	21.5
190.04922	1.2
199.12331	0.9
201.10336	1.4
210.07785	0.8
211.08691	4.5
213.10310	2.3
223.08670	1.4
223.12347	1.1
225.06743	0.9
225.10330	7.9
226.11168	1.3
227.11861	4.0
231.11443	1.2
235.08699	2.1
236.09395	1.3
237.06854	1.0
237.10344	1.8
238.07471	2.5
239.08194	1.4
239.11876	1.7
243.11418	3.3
248.09621	1.1
249.10406	2.1
250.07689	1.5
251.08255	4.1
251.11781	3.5
252.09010	3.4
253.09807	14.5
255.11404	1.6
261.12421	1.8
262.07196	0.9
263.08267	4.1
264.08997	3.4
265.06058	1.0
265.09821	5.6
266.10583	1.9
267.11420	8.2
268.08463	0.9
277.09906	5.6
278.06909	2.2
278.10522	1.3
279.07785	6.8
279.11417	5.6
281.09396	4.0
281.12283	0.7
291.07861	1.8
292.08405	1.5
293.09332	12.7
294.10168	4.4
295.10883	51.2
296.11346	1.1
305.09323	2.5
307.10901	17.7
309.08875	1.4
309.12332	1.2
311.06937	1.2
311.10281	3.9
318.11606	1.1
319.12915	1.3
321.08780	4.8
323.10263	1.4
333.08813	1.0
335.12469	2.8
336.12881	2.6
337.12820	1.2
339.09921	3.6
344.14255	0.9
351.09811	1.9
384.17557	1.0
386.15536	0.9
390.18436	1.0
398.15115	1.0
400.16675	1.8
416.15921	2.0
428.16238	4.5
430.17862	1.7
434.17111	1.9
440.16055	1.0
446.17325	8.8
446.72565	0.8
456.15552	2.1
458.17279	18.5
474.16345	1.8
476.18399	15.4
484.14957	1.7
490.16171	9.6
502.16220	38.3
503.16617	1.7
520.17279	77.7
521.17676	3.7
522.18793	10.3
534.18915	22.1
552.19922	100.0
553.20319	5.1
597.23877	0.9
615.24829	1.6
659.23621	3.4
677.24915	2.6
691.26300	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	709.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36295	5.0
54.98280	5.7
61.54691	5.5
66.76081	5.4
75.83322	5.4
80.04919	8.9
94.02843	98.1
96.04395	10.3
96.95879	7.0
100.48677	5.8
104.42222	6.1
106.02859	13.3
108.04425	51.0
110.06002	7.0
110.89961	5.5
118.94743	5.4
118.98131	6.2
120.04417	53.3
120.08067	28.8
122.05982	33.9
124.03919	48.6
132.04424	10.1
134.76067	5.8
135.13409	6.3
136.03920	78.3
136.07594	6.3
138.05484	73.3
148.03938	57.8
150.05547	34.4
152.07167	7.3
153.20250	6.6
160.03923	8.1
164.03345	7.9
166.05035	36.5
168.06584	8.3
187.57422	5.9
190.05072	18.2
197.02164	6.2
198.98679	6.7
211.08754	15.8
223.08763	19.1
224.09546	15.1
225.10342	11.8
237.10275	37.3
238.11153	22.3
239.08311	10.3
239.11812	47.3
241.09772	11.5
249.06894	9.7
249.10339	14.3
251.11905	13.4
253.10034	9.0
263.08344	27.0
264.09085	29.1
265.09897	20.9
267.07761	8.9
267.11295	10.7
277.09821	25.3
278.10547	17.0
279.07803	19.4
279.11447	78.7
283.11130	8.7
291.08020	8.0
291.11407	18.7
293.09229	8.6
297.08850	7.5
314.12921	8.8
323.10336	11.5
324.11411	11.9
342.12354	12.2
354.12454	14.7
355.13409	20.5
356.13907	8.6
357.14734	10.2
367.13000	7.6
370.11612	8.2
370.15515	36.4
372.17319	23.4
374.15356	14.1
376.16577	11.9
384.13287	10.0
387.16010	9.7
388.16797	10.6
398.15115	34.4
399.15775	14.1
400.16821	20.5
402.14893	16.0
412.16870	13.7
413.17856	9.7
416.16705	13.7
420.15826	15.5
432.15930	15.6
440.16226	17.2
443.14813	12.7
444.15552	10.9
462.16934	15.4
484.14960	13.5
492.17966	18.4
495.20129	8.5
502.15988	13.0
504.17499	14.9
511.57220	7.6
516.17450	15.4
520.17096	14.7
521.18536	8.0
534.18915	27.6
552.19983	28.7
555.22144	11.2
558.34717	7.4
569.24084	7.9
573.23914	8.9
579.22369	10.9
581.20905	19.2
589.23145	23.4
595.21948	7.2
597.23267	13.1
599.21753	22.0
601.23242	21.6
613.23450	30.1
617.22723	11.3
619.24023	18.0
623.21527	17.0
631.24146	79.7
635.23572	17.5
641.22516	40.7
643.23724	10.1
649.25092	100.0
655.24146	17.1
659.23828	19.5
661.24731	31.0
673.25256	88.9
677.24738	9.4
691.26062	66.1
709.27063	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48425	3.6
63.50448	3.4
71.74060	3.9
74.00652	3.9
80.04899	4.9
94.02839	73.7
96.04374	8.6
106.02871	8.1
108.04414	37.6
120.04425	34.5
120.08062	45.0
122.05989	31.1
122.15805	4.0
124.03913	30.4
132.04443	8.5
134.06003	7.4
135.03111	4.2
136.03908	43.2
137.04706	5.9
138.05484	50.5
148.03929	41.2
148.39465	4.9
150.05498	22.0
158.13617	4.5
159.63326	3.9
160.03981	6.7
166.04997	31.6
170.91035	4.7
190.05051	12.1
199.92575	3.8
208.72763	4.5
211.08852	6.7
211.12341	4.3
213.10229	5.7
217.13475	5.5
223.08801	13.3
224.09659	6.6
235.08936	9.1
236.09557	6.8
237.10316	18.9
238.11052	8.7
239.11957	17.9
249.06673	8.3
249.10396	13.4
251.08356	11.0
251.11966	13.7
263.08215	15.3
264.09076	26.7
265.06262	4.2
265.09830	14.2
267.07950	9.4
269.05075	4.4
276.09265	9.9
277.06558	6.4
277.09839	21.5
278.10605	15.1
279.07791	15.9
279.11420	88.6
280.12061	10.5
291.08142	8.5
291.11374	25.6
292.11957	5.6
303.13580	6.0
305.09149	7.7
307.07202	6.5
309.08743	10.1
323.10315	14.4
336.11172	6.4
340.10992	5.1
354.12381	8.5
368.14023	7.1
370.15665	19.4
372.17133	5.5
374.15033	12.6
384.13266	5.5
386.15009	7.1
396.13443	9.6
398.15216	32.9
399.15866	7.4
400.17166	7.1
402.14529	10.6
409.38663	6.2
411.15799	6.7
412.16544	12.4
413.17456	12.0
416.16132	8.2
426.14667	6.2
440.16205	9.8
441.17068	11.3
443.14908	5.8
456.15912	5.4
460.15244	6.0
462.16724	5.8
484.15170	9.3
492.18054	21.9
509.21927	6.6
513.20966	5.0
516.17822	12.4
534.18890	20.5
537.21423	7.2
552.19928	8.5
555.22772	16.6
557.20178	7.4
569.20862	8.9
581.20496	26.8
587.22064	6.6
589.22864	13.6
597.23834	18.5
599.21783	46.9
601.22949	7.7
611.21588	9.0
613.23193	27.0
617.22479	56.9
618.22974	8.3
619.24133	5.2
623.21393	17.7
629.22614	21.0
631.24060	38.7
641.22516	100.0
643.23120	5.8
647.23590	7.6
649.25287	66.5
655.24359	7.6
659.23413	53.4
661.25354	10.4
673.25195	50.5
677.24652	21.1
691.26385	46.5
709.26727	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78884	0.9
53.18718	0.5
55.60989	0.5
59.01242	4.0
64.56928	0.8
67.01745	0.7
82.02834	3.3
91.73382	0.8
94.02841	33.9
95.03127	0.9
96.04402	2.8
104.04933	1.2
108.04414	8.6
110.05987	3.0
116.04941	1.0
119.74975	0.6
120.04420	68.8
120.08138	0.7
121.04665	0.6
121.05251	1.1
122.05987	7.5
124.03887	0.7
124.07549	11.9
130.02855	2.7
131.03658	2.3
132.04433	14.7
134.05988	2.1
135.03152	1.0
136.03848	2.1
136.07558	79.2
136.12094	0.9
138.05492	25.6
147.03142	1.1
148.03903	2.8
148.07518	0.7
150.05490	24.4
151.06241	2.2
152.07088	1.0
156.06508	1.3
158.02370	18.5
158.03632	1.2
160.03920	6.1
162.05496	1.3
164.03432	1.8
164.07063	2.2
165.04137	1.5
166.04979	1.1
167.05757	0.8
168.06558	58.6
176.03418	9.0
180.06569	6.8
187.65645	0.7
188.10820	0.7
190.05023	100.0
190.12439	2.3
191.05533	1.9
192.06580	7.5
203.08121	0.8
204.08881	1.0
208.06313	0.7
213.06584	1.5
215.08417	0.8
215.11882	1.2
217.09789	9.3
221.07098	1.0
224.09532	1.9
225.06728	0.7
230.11963	0.9
231.11336	2.8
233.12901	1.4
235.08812	2.6
236.09325	0.8
239.08159	1.0
239.11928	2.6
241.09750	1.2
249.06659	1.9
251.08331	1.7
253.09894	1.3
257.09369	0.8
257.13049	0.9
259.10938	2.2
261.08923	1.0
263.08304	3.2
264.09024	1.3
265.06461	0.8
265.09863	2.5
266.07712	0.6
267.07779	3.2
267.11371	1.0
273.12479	1.7
275.10519	1.3
275.13971	0.8
276.11169	6.2
277.09171	0.8
277.11978	10.8
279.07684	3.2
280.08521	0.7
281.09302	2.7
282.09985	1.8
283.10913	2.7
291.07751	2.2
293.05930	1.0
293.09344	2.9
294.10104	1.2
295.07925	0.6
295.10922	3.8
299.10361	2.0
307.07367	0.8
308.08151	1.2
309.08850	4.4
311.10477	3.9
312.11163	3.2
313.11929	2.7
317.11267	1.3
318.12320	1.1
319.12991	4.2
323.10355	8.6
324.11102	0.8
325.11780	3.6
327.09906	1.1
328.10776	0.8
335.12534	1.9
336.13342	6.1
337.13992	2.0
339.09784	6.0
340.10785	1.3
341.11411	6.9
343.13013	1.3
353.11383	10.0
355.13013	1.5
356.10092	2.1
357.10950	10.5
371.12503	95.8
372.13263	5.1
373.14166	4.5
388.01025	0.7
450.16534	1.3
460.15143	1.0
468.17914	1.2
480.17645	3.3
492.17734	0.9
508.16864	1.0
508.29218	0.8
510.18878	2.8
522.18921	2.5
540.20270	4.0
577.23114	1.4
581.20685	1.0
587.24030	1.3
599.21606	6.4
617.22424	14.4
618.23267	0.7
619.24133	5.0
631.24176	22.2
632.24292	1.3
641.22919	2.4
649.25238	43.4
650.25299	1.9
659.23682	7.3
661.25024	1.0
673.25226	4.3
677.24982	7.7
679.27136	1.0
691.26239	17.0
709.27435	18.3
710.28070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27106	1.4
56.68917	1.7
59.01242	24.8
66.54309	1.7
71.01241	13.7
71.02171	1.5
85.02824	2.2
89.02296	26.8
101.02312	8.5
113.02303	11.2
119.03374	9.5
125.18680	1.9
143.03384	3.1
161.04482	2.0
179.05547	14.0
185.49588	1.9
251.20123	4.7
262.97122	2.3
277.21664	15.7
323.10052	9.7
331.22723	9.4
341.10910	100.0
397.13681	4.8
455.66187	2.5
601.32867	10.8
652.37744	2.5
709.31866	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	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35175	3.7
54.88288	3.8
59.01242	36.4
71.01252	10.8
73.02814	5.5
89.02298	15.5
101.02316	16.7
109.85497	3.7
113.02307	7.3
114.52197	4.8
125.02290	5.8
152.37323	5.3
235.08073	5.3
251.22212	4.8
252.50392	5.5
253.21844	25.1
259.80966	5.1
277.15466	5.4
277.21823	45.3
305.18042	4.9
305.62228	4.4
397.13525	100.0
415.14709	24.3
577.82697	5.4
711.33313	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	32.2
61.98705	6.0
65.17403	4.4
71.01244	11.8
74.48528	5.1
74.51595	4.6
79.39867	5.0
80.59479	5.4
85.19227	5.5
87.00752	6.4
89.02299	18.9
91.78159	6.2
100.72783	5.6
101.02303	22.9
113.02346	10.8
125.02341	5.4
137.68452	6.1
137.93472	6.1
151.39407	5.9
174.61707	5.3
187.99374	5.5
198.16252	5.4
224.95766	5.4
277.21741	92.4
278.22104	7.0
323.09744	15.4
341.11078	11.5
397.13528	100.0
415.14432	32.1
489.22861	6.3
596.85437	8.1
675.36768	7.6
711.33649	48.4
714.66571	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	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05128	1.6
56.57511	1.2
57.03272	1.7
58.86417	1.2
59.01229	6.6
60.69015	1.3
61.89837	1.4
61.98682	3.0
64.23917	1.5
65.38139	1.4
70.77986	1.3
71.01250	2.2
71.04874	2.8
72.35748	1.3
76.35882	1.5
79.23368	1.3
89.02284	4.7
89.62726	1.7
97.02802	2.7
99.00732	16.6
101.02310	3.1
108.44769	1.4
108.98636	1.4
113.02254	1.8
125.09591	5.8
145.32571	1.6
163.11166	10.1
181.12257	19.9
199.13324	12.0
207.10197	24.2
225.11285	43.9
243.12378	26.5
249.18654	7.6
461.20007	3.0
479.21494	13.3
489.40164	1.9
711.39642	100.0
712.39758	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	712.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90392	0.4
58.02842	6.9
58.24826	0.4
65.66418	0.4
66.03338	0.8
68.63775	0.6
71.23564	0.4
72.00780	0.6
74.02326	13.7
74.98946	0.6
81.04424	0.9
82.02848	1.0
84.04403	0.6
85.18627	0.6
85.19088	0.5
86.02328	6.3
86.05971	1.1
87.05498	3.4
93.03323	1.4
96.04415	0.6
96.95889	0.6
97.03938	1.9
99.04855	0.8
99.05499	15.6
100.03914	0.4
101.07083	1.5
102.05476	1.9
107.06007	0.4
108.02037	1.9
109.03940	1.6
109.07578	1.2
110.05999	0.5
111.05495	1.2
112.03915	1.9
118.91644	0.4
121.02824	39.8
122.03111	0.5
123.04391	11.4
123.05498	1.7
124.03905	0.5
125.00542	1.0
125.03469	0.8
127.05000	0.8
128.03410	43.4
128.07100	0.7
135.05537	3.2
137.07098	0.8
141.00081	0.7
141.06595	1.2
143.04509	58.3
145.06073	1.6
146.04489	5.7
149.07138	0.6
151.04979	0.5
153.00049	22.8
153.04956	0.4
153.06572	2.0
154.00832	8.8
155.01620	0.6
162.63599	0.5
166.09769	2.5
167.01633	0.5
167.04501	2.2
167.08160	1.9
179.04533	11.1
181.06137	1.3
184.10811	0.8
185.05641	1.9
185.99879	1.9
192.07695	1.6
197.05647	1.5
210.08791	11.2
220.73381	0.4
225.05492	2.1
228.09898	0.9
241.05034	0.7
242.05865	0.7
243.06598	12.7
254.07831	16.4
255.08141	0.6
259.04303	0.8
272.08908	100.0
273.09290	1.4
276.04602	1.0
277.05408	40.0
278.05753	0.9
306.07620	1.9
439.10727	44.3
440.10931	1.5
583.16467	0.7
626.65753	0.5
712.20355	13.9
713.20862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71478	6.9
70.22913	6.2
71.25848	6.6
84.19588	7.6
107.04848	8.8
121.02827	25.4
146.54552	7.6
159.04442	8.1
160.05191	8.0
172.05255	9.2
173.05998	10.0
187.03911	8.7
188.04771	24.7
197.06125	6.9
200.04744	8.4
201.05536	18.3
212.04831	8.7
226.06271	12.4
240.04274	13.9
241.04999	16.9
263.16660	15.4
277.08942	7.2
278.09747	8.8
295.61356	8.0
305.08307	11.5
306.08997	25.4
339.98026	8.9
391.77496	9.7
395.36639	8.6
403.10651	9.6
406.67847	7.8
439.15347	40.1
493.20084	9.1
519.18060	57.5
545.19519	19.3
563.21149	47.6
589.18433	17.1
607.19739	100.0
625.22211	44.2
642.90234	8.3
651.23730	11.7
669.25171	37.1
710.48022	8.8
713.23883	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	713.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51100	2.4
56.75646	2.5
64.31372	2.2
67.98283	2.3
94.02763	2.4
94.55020	2.9
96.95859	2.6
100.43713	2.5
116.70660	2.3
120.04456	17.2
122.06012	6.6
150.05505	12.1
168.06584	5.3
186.05264	3.1
190.05029	6.2
213.10294	5.3
223.08817	5.7
235.08723	6.8
237.10011	3.4
241.09863	4.5
249.10175	3.4
251.08209	3.7
256.12338	3.4
259.08478	3.7
263.08188	6.5
265.09753	3.3
277.09631	6.3
279.11227	3.5
281.09122	4.1
293.09302	4.1
295.10757	4.7
305.09088	9.5
309.12177	3.6
311.10330	4.2
319.12964	7.3
323.10269	26.4
341.11163	26.8
345.08261	4.8
371.12473	3.3
373.14859	2.9
380.13998	3.8
392.13818	2.9
396.13416	5.1
408.13766	3.5
420.13275	7.3
438.14407	10.4
501.19183	3.3
509.94882	3.1
546.23883	3.3
571.19879	4.2
614.73724	3.2
633.19910	6.3
645.20715	3.8
651.21069	5.6
663.20728	55.4
677.50153	4.0
681.21741	100.0
683.23511	5.5
695.22827	26.3
713.24518	89.0
713.47339	68.1
714.25293	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	713.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58414	0.5
55.25809	0.5
64.21214	0.9
70.00589	0.8
80.04937	1.2
82.02839	1.5
94.02840	25.2
94.06466	1.0
96.04393	0.8
104.04951	1.4
106.06477	4.8
107.37629	0.7
108.04454	1.8
110.06001	0.9
120.08060	9.1
121.05087	0.8
122.05990	14.6
132.04491	0.8
134.05991	43.7
136.03929	0.8
136.07555	7.7
138.05487	14.7
150.05496	3.6
152.07066	54.7
160.03944	1.1
162.05490	1.1
164.07091	1.0
190.05057	1.8
194.15984	0.8
210.07889	1.2
211.08818	1.5
211.12469	1.0
213.10283	1.5
215.11873	1.0
216.12360	0.7
223.08673	8.6
224.09402	3.5
225.10338	3.6
233.10780	1.1
235.12454	2.4
236.09450	1.9
237.10306	12.9
237.13948	1.3
238.11067	5.3
239.11870	19.9
245.12955	1.6
249.06729	1.4
249.10379	1.3
250.07428	0.9
251.08179	2.4
251.11871	6.5
252.12613	0.9
253.09793	1.5
257.12921	0.7
262.07553	1.1
263.08273	3.9
264.08984	8.7
265.09833	4.2
267.11380	1.0
271.10861	1.9
271.13690	0.8
275.08124	0.8
276.09116	2.1
277.09811	4.1
277.19897	0.8
278.10513	4.7
279.11404	27.0
280.12073	2.1
281.13031	2.8
283.10788	4.1
290.10635	1.3
291.11407	6.3
292.12323	1.7
293.13116	1.3
295.10818	2.3
305.09259	2.0
311.14017	2.0
322.09631	1.4
323.10522	5.4
324.11115	2.2
325.11990	1.1
334.15671	2.2
355.13141	2.1
356.14194	1.0
372.17166	2.0
374.14938	0.9
376.16635	1.4
384.17264	2.2
386.18698	4.2
388.16840	2.0
389.17340	1.2
398.18924	1.8
399.19678	1.5
400.20621	1.3
402.13696	1.2
402.18307	14.6
403.19049	2.0
412.16623	1.0
414.18045	2.6
416.15659	1.0
418.17773	2.7
425.17535	1.4
426.18362	5.1
427.18985	1.9
430.17746	13.3
431.18250	1.6
444.19470	3.4
445.19998	1.2
447.18036	1.3
448.18701	6.4
453.16977	1.3
458.17468	2.3
459.18082	2.2
460.18585	0.8
470.17276	3.2
471.17993	5.3
488.18063	3.6
490.19873	1.9
502.19962	1.2
520.20905	14.7
523.23413	1.9
539.26782	1.3
541.24316	1.0
549.28711	1.0
565.24811	2.1
583.25610	8.4
584.26276	1.0
585.23438	1.2
587.24689	1.2
599.24799	2.5
604.25531	0.9
609.23944	1.8
615.25739	4.1
617.25684	6.0
627.15070	1.2
627.24622	9.6
628.24219	0.8
629.26196	2.6
641.26324	3.3
645.25836	6.4
647.27496	13.9
659.27289	29.6
677.28357	100.0
678.28577	5.3
713.47400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.9
57.03306	1.0
58.00435	0.6
59.01243	39.8
67.51051	0.5
69.03294	1.8
71.01241	28.8
73.02805	5.4
75.00735	0.8
77.31808	0.5
78.62764	1.1
78.63198	1.1
81.03310	1.8
83.01242	3.6
83.04887	0.6
85.02811	6.1
85.22617	0.5
87.00729	6.3
89.00020	0.7
89.02298	34.9
89.04277	0.6
91.03867	0.6
91.47703	0.5
93.03330	0.5
95.01237	1.2
95.09545	0.5
97.02807	6.7
99.00732	1.6
101.02304	26.2
109.02789	0.7
111.04340	0.9
113.02308	11.7
115.03880	1.1
119.03381	9.6
121.02784	0.6
125.01443	0.8
125.02315	10.6
127.03870	0.8
129.01857	0.7
131.03368	1.2
133.04924	0.7
139.03819	1.1
141.01808	0.7
143.03400	4.5
148.73816	0.6
156.26680	0.7
157.04951	0.7
161.04437	5.0
167.03352	0.6
174.43245	0.6
179.05534	5.1
185.04543	0.7
199.06041	0.6
209.07870	0.8
217.07178	0.6
221.06668	2.4
235.08199	12.7
245.06750	1.0
253.09322	2.1
255.23296	89.0
256.23651	1.6
263.07718	0.8
269.24979	0.8
277.09195	0.7
287.07785	2.4
305.08844	3.5
323.09943	1.6
352.92233	0.6
379.12341	0.8
397.13544	100.0
398.14014	2.1
401.73022	0.6
411.21503	0.7
415.14606	30.8
427.99377	0.7
501.11969	0.6
513.02386	0.7
653.37592	4.6
701.17322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70264	0.2
53.83919	0.2
59.47547	0.2
60.92251	0.2
64.58668	0.2
65.53857	0.2
66.21019	0.2
81.03268	0.2
83.04869	0.4
84.05687	0.2
104.56747	0.2
110.47784	0.2
180.02472	0.2
225.16063	0.3
625.44073	0.3
634.04352	0.2
677.49890	3.0
713.47461	100.0
714.47675	4.2
741.38196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66365	0.1
59.01242	2.2
60.15255	0.2
61.97358	1.8
61.98693	100.0
61.99838	1.2
62.14281	0.2
65.45168	0.2
71.01233	1.2
74.03180	0.2
83.01236	0.2
83.76753	0.2
89.02288	1.3
90.02637	0.3
97.02824	0.3
99.71929	0.2
101.02319	1.0
102.02641	0.2
113.02319	0.6
114.64605	0.2
119.03371	0.4
124.22894	0.2
125.02311	0.3
126.02695	0.2
179.05518	0.3
235.08284	0.3
245.89679	0.2
255.23308	2.2
256.23654	2.0
257.23843	1.0
293.41141	0.2
372.67047	0.2
397.13541	1.3
398.13937	1.8
399.14154	2.6
400.14362	1.0
415.14963	0.4
416.15332	0.4
417.15384	0.9
513.40289	0.3
655.38605	0.3
656.39105	0.2
716.92572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.2
59.01244	0.5
66.55332	0.1
71.01232	0.9
72.99164	0.2
75.00746	0.3
79.95584	1.8
81.93338	0.2
85.02802	1.4
87.00753	0.3
95.01239	0.3
96.93607	1.1
96.95868	100.0
96.98490	1.4
99.00733	0.5
103.00188	0.2
107.01260	0.2
113.02305	2.9
114.93280	0.3
116.93767	0.2
117.01816	0.3
117.03344	0.4
118.96466	0.3
149.02356	0.2
151.00302	0.5
156.98076	0.3
168.98114	1.1
175.02391	1.0
200.97113	0.2
202.98654	0.3
210.99132	0.3
222.99181	0.2
225.05530	0.3
269.04568	13.3
270.04767	0.2
270.43933	0.2
311.05280	0.2
313.58417	0.2
325.00327	0.8
367.01245	0.2
374.56506	0.2
389.00320	0.6
445.07849	4.2
483.02145	0.2
621.10956	3.9
659.05273	0.4
695.26831	0.2
719.07300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78531	0.9
55.20944	0.8
59.01247	1.3
63.33409	0.8
68.46247	0.9
69.31525	1.0
120.04408	2.9
177.03928	1.1
190.05017	1.8
196.31886	1.0
207.34915	0.9
213.06674	1.2
214.07460	3.0
229.09808	7.7
231.11485	1.3
239.08348	1.5
243.11327	13.4
244.08546	2.9
244.12253	6.0
245.09346	4.5
255.11386	4.3
257.09311	26.2
259.10892	12.0
260.11487	2.5
272.11661	17.2
273.12341	2.0
275.10406	15.3
285.03998	2.6
286.04205	1.1
290.12723	10.7
293.75031	1.2
316.10669	4.0
331.13089	2.7
334.11774	9.2
344.30780	1.0
349.14066	100.0
350.14496	2.7
371.12531	7.5
461.07297	1.1
473.04178	1.2
528.19763	1.3
554.33014	1.1
582.40985	1.2
613.22314	1.5
645.25879	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	721.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82446	1.3
51.38911	1.5
53.24283	1.5
54.35531	1.3
59.01254	2.5
60.20298	1.5
63.48885	1.6
64.72726	1.6
65.94086	1.8
71.17056	1.6
80.04925	3.3
82.02837	1.8
94.02847	9.2
94.06476	6.3
95.55210	1.8
98.30087	1.5
99.00728	2.0
104.04951	2.2
106.06495	3.2
107.03630	5.1
120.04485	3.0
120.08070	1.7
122.02390	2.1
122.05984	52.7
124.03951	3.6
131.59654	1.7
132.04460	2.4
132.45099	1.7
134.06003	7.8
136.03896	3.7
136.07579	1.9
138.05496	6.2
146.71175	1.9
148.04024	2.2
150.05548	6.1
152.07146	2.6
160.04034	2.9
166.04974	21.7
174.05559	3.6
180.06589	1.9
188.07083	7.7
190.05069	2.4
199.08734	3.7
201.10268	3.9
211.08777	3.4
213.10355	4.2
215.11920	5.5
220.09738	2.6
223.08699	4.1
224.09525	2.4
225.10414	3.3
227.11894	3.3
229.09732	8.9
237.10228	3.2
239.11935	5.9
249.10454	4.0
250.07549	4.8
251.08180	3.8
252.09042	2.2
253.09837	3.9
255.11324	5.2
259.10928	6.9
263.08401	3.3
265.09906	9.3
267.11420	10.9
273.12463	2.2
277.09875	6.9
278.07025	3.9
278.10626	3.2
279.07834	7.3
279.11407	5.6
280.08585	2.1
281.09399	2.8
281.12802	2.2
283.10748	2.7
291.07828	3.0
292.08701	2.7
293.09274	19.1
294.10187	5.2
295.10864	12.2
297.12424	2.3
301.12021	7.2
307.10907	2.5
309.12515	7.2
315.72229	1.9
319.12994	16.3
327.13431	4.5
332.10693	2.5
335.09579	2.4
337.08386	20.1
338.08862	2.6
343.09476	2.5
344.10413	3.4
346.12115	2.4
353.11508	3.3
358.08170	2.8
358.12015	4.2
369.10928	5.3
372.09937	3.2
373.14639	2.5
374.11172	3.5
374.15134	6.6
384.13507	3.6
386.11493	4.3
388.13083	4.3
392.12262	4.7
392.16559	3.1
400.13400	2.5
402.10403	2.6
402.14740	5.0
403.15186	7.6
404.12592	3.3
406.13953	3.1
413.13449	2.2
414.10840	4.3
416.16650	3.8
417.13333	3.8
418.14072	6.8
420.15607	7.5
428.16098	2.7
429.17151	3.2
430.13568	2.4
430.18390	3.1
432.11685	10.4
446.13361	3.7
447.14389	12.5
448.15192	71.5
456.15601	3.0
473.16122	3.0
474.16907	12.5
478.15948	6.0
479.16815	11.5
480.17651	11.1
488.18466	5.8
492.14038	17.0
518.15985	2.4
524.16809	30.6
532.17194	5.0
553.21283	2.5
564.19672	14.8
569.24353	3.8
572.38879	2.5
585.24036	3.0
588.44830	2.3
595.22638	3.0
613.23010	46.9
629.23065	4.5
639.20483	2.7
645.25690	42.4
657.22083	28.2
661.25195	5.1
671.24487	3.8
689.24731	100.0
690.24951	2.3
721.27161	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30103	10.2
52.83786	8.8
52.94366	9.9
59.01239	87.3
67.10361	10.3
71.01254	12.2
75.13636	12.3
87.04343	61.6
93.73986	12.9
150.83813	11.6
153.09154	26.6
231.21251	19.4
235.05554	14.4
261.22211	16.1
287.23801	20.7
292.98203	14.5
297.21985	16.4
303.15521	15.2
305.24933	97.1
327.23074	100.0
349.23877	25.6
359.22253	34.4
371.22119	26.8
573.29926	13.6
687.97064	14.0
721.47021	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55424	0.6
55.57569	0.6
64.20332	0.9
90.08858	1.1
106.04099	6.2
108.02065	1.1
113.38197	0.8
116.31227	0.9
142.16295	0.8
148.11234	1.6
151.82625	0.8
165.36301	0.9
174.09157	6.1
174.83113	0.9
184.65254	0.8
185.39671	0.8
212.10768	2.0
213.11681	0.8
233.44136	1.0
254.15565	1.9
264.43878	0.9
271.06601	1.4
280.13443	13.3
290.09470	1.1
294.08127	10.4
295.86496	0.9
298.14499	6.9
308.06250	1.3
308.09671	2.2
310.07544	2.1
324.12421	7.9
326.07281	1.9
334.07657	12.0
336.09396	6.1
342.13477	46.8
343.14044	2.3
350.07248	2.8
352.08698	1.7
354.10233	1.9
380.08209	100.0
381.08435	3.0
424.07211	5.1
463.81735	0.9
504.39139	0.9
718.77747	1.1
723.22418	20.7
724.22815	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	723.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48639	4.2
63.55738	4.0
91.21698	4.7
91.73277	9.1
97.97405	5.5
108.04459	22.5
120.04415	100.0
122.06013	14.5
124.03973	6.4
132.04445	7.8
134.05978	9.4
136.03944	7.7
138.05493	33.2
142.83186	5.7
144.27223	5.6
148.04007	8.9
150.05505	47.0
152.07109	12.1
166.05020	7.5
168.06557	34.0
188.07181	16.3
190.05115	16.0
200.62791	7.0
208.02817	6.4
225.10205	7.8
227.08334	8.1
229.09912	19.4
243.11436	11.7
253.09981	10.3
257.09314	13.4
259.10983	22.9
263.08347	7.2
265.09958	8.3
267.11481	8.6
271.10934	15.3
273.12692	6.8
275.10391	26.3
279.07782	8.1
281.09485	10.3
289.12051	11.4
290.12823	15.4
293.09433	9.7
295.10892	29.2
307.10757	8.9
313.11948	6.6
317.11374	7.7
319.13239	22.5
334.11795	68.4
339.10083	12.5
360.13821	6.4
371.12466	49.7
372.13248	7.0
386.11295	7.9
428.16156	6.2
432.15543	15.7
446.17432	21.0
458.17038	29.8
462.87863	6.3
476.18771	26.7
490.16129	6.3
502.16464	19.3
520.17395	18.7
534.18848	6.7
551.18396	7.8
595.72516	6.8
611.21381	9.9
614.24200	8.5
629.23553	9.6
641.22943	11.9
646.26978	14.6
659.23785	21.1
673.24213	9.0
690.25433	87.1
691.25623	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	723.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77004	2.3
55.77147	3.0
57.72871	2.6
59.01267	5.2
63.84142	3.6
68.99683	7.0
78.39226	2.5
82.02859	7.4
91.73480	6.4
94.02843	69.5
96.04444	13.8
99.00739	35.9
99.01245	3.2
108.04447	9.3
110.06013	4.4
120.04456	4.5
122.06028	8.9
122.09534	2.7
124.03903	2.8
129.05745	8.6
134.05986	25.6
136.03902	16.1
136.07608	13.0
137.04758	9.6
138.05487	48.7
144.08092	22.1
150.05516	16.6
152.07114	14.4
156.06633	4.1
158.02428	4.5
160.07677	5.0
172.07613	29.7
174.09206	14.1
183.05569	9.4
186.09331	4.0
190.05112	10.1
197.07179	6.4
198.04446	5.3
199.08719	80.0
200.07083	3.1
204.10310	13.2
213.06641	7.5
217.09746	17.7
223.08755	5.5
227.11928	6.5
228.10353	5.8
229.09795	37.0
230.08240	4.0
230.12012	5.5
231.08833	3.7
232.09799	9.8
239.01627	3.6
241.09885	5.4
243.07721	4.9
245.09348	6.7
247.10890	35.0
250.07394	4.1
251.08289	4.6
251.12036	5.8
253.09818	3.6
257.09442	5.7
265.06204	4.2
265.09900	6.5
266.10779	4.4
267.08090	4.9
267.11517	7.0
269.13010	16.2
273.09018	10.8
273.12570	25.7
276.08743	22.3
277.09744	3.2
278.06976	4.9
279.07767	14.0
291.09933	15.6
293.09357	33.0
294.10117	21.6
295.10892	4.3
295.48492	3.6
299.10480	3.4
309.09009	4.8
311.10516	3.6
311.14099	10.2
315.09979	10.4
317.11404	21.2
327.13699	7.3
335.12515	100.0
337.08350	5.6
338.09091	4.3
345.14532	18.1
355.13196	10.1
369.14865	4.5
371.12439	6.0
387.15735	34.8
403.15689	5.7
405.16742	7.5
413.13849	7.0
431.14862	13.2
450.17010	7.1
458.17444	4.4
494.15903	5.7
526.18591	13.8
534.18884	6.6
562.24292	3.7
566.20850	4.0
603.24713	6.6
611.22473	4.2
615.24969	11.8
619.24683	11.6
631.24139	4.8
643.24475	6.5
647.25739	9.9
655.24677	4.2
659.23169	4.3
661.25519	11.6
673.24628	8.9
679.26398	9.2
691.26373	26.5
705.25409	6.5
723.25354	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48091	0.5
55.12635	0.5
59.01235	2.8
72.64008	0.5
76.54824	0.6
77.57565	0.6
80.76203	0.5
83.04846	0.8
93.46453	0.5
94.02842	1.2
108.04410	2.5
120.04425	1.4
122.05990	9.1
124.03902	3.0
124.27502	0.6
132.04416	1.8
134.06018	1.4
135.06766	0.7
136.03918	5.0
136.07545	10.9
137.04700	0.9
138.05502	2.0
148.03944	1.9
148.07538	0.7
150.05490	9.2
152.07030	2.3
158.02298	0.9
159.11682	0.7
164.07108	0.9
174.01895	1.5
174.09087	0.8
176.03452	3.7
186.09161	3.4
190.05101	2.9
201.06645	2.6
202.07388	2.0
202.08946	0.9
202.12357	2.0
206.04562	1.8
207.05428	1.1
208.06163	1.5
212.10779	1.1
214.07211	1.0
215.08095	3.6
228.10213	3.9
229.09802	15.7
230.12003	9.0
231.11475	0.9
245.09328	5.1
245.12845	0.8
255.11394	3.8
257.09293	7.1
258.10132	1.5
259.10995	1.1
273.12473	24.3
275.10379	1.8
299.10315	1.0
317.11450	18.3
317.15152	1.0
321.08902	1.6
327.09979	1.8
334.11795	0.8
335.12509	100.0
336.12973	1.6
339.09897	1.1
355.09381	1.0
369.10925	2.9
387.12012	8.1
389.13547	3.6
390.97491	0.8
499.88043	0.7
651.22693	0.8
678.73627	0.7
723.24872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.5
63.63255	1.5
64.52178	1.6
70.47369	1.5
70.79572	1.5
79.38428	1.6
80.04916	12.3
89.56172	1.6
94.02846	32.0
96.04412	2.0
96.85358	1.7
104.04903	5.5
106.06485	2.2
108.04412	17.3
110.05948	1.9
120.04418	100.0
120.08060	2.8
122.05994	30.2
124.03881	4.1
132.04399	4.0
134.05977	10.0
134.96753	1.9
136.03925	7.8
137.04686	2.1
138.05493	42.4
146.05986	3.3
148.03917	6.5
149.33743	2.0
150.05492	61.6
152.07047	14.5
160.03934	5.9
166.05035	2.7
168.06564	37.4
174.05496	6.5
180.06517	3.0
186.05490	4.0
188.07072	6.0
190.05002	5.0
196.06120	4.8
201.10277	8.5
211.08640	4.6
213.10233	10.3
223.08788	3.6
224.09492	3.8
225.10245	11.5
226.10980	2.5
227.08308	2.7
227.11961	10.0
229.09836	15.6
229.13271	4.7
231.11400	3.2
235.08873	2.7
237.10274	10.5
238.07465	3.0
239.08220	6.2
239.11856	8.4
241.09886	3.9
243.11319	7.4
247.08640	2.6
249.10339	3.9
249.31885	2.0
250.07516	5.7
251.08260	7.8
252.09019	6.0
253.09787	13.7
254.10599	4.3
255.11377	11.6
257.13037	5.4
261.12512	5.2
263.08304	5.3
264.08939	4.3
265.06577	3.5
265.09848	16.8
266.10461	3.6
267.11304	12.2
273.12457	5.5
277.09833	7.8
278.06998	10.1
278.10580	6.4
279.07727	18.6
279.11252	8.4
280.08536	2.2
281.09265	7.2
287.10480	2.9
291.07755	5.6
291.11212	2.4
292.08450	3.0
293.09326	40.0
294.10110	12.8
295.10855	21.5
296.11679	2.5
299.10272	2.6
301.11987	17.5
305.09338	2.8
305.34464	2.2
306.10034	3.9
307.10822	6.1
309.08975	2.6
309.12415	5.6
311.10410	12.8
317.11606	2.4
319.13025	55.5
320.13428	3.0
321.08685	8.5
323.10120	2.2
327.13519	3.4
329.11487	5.9
330.12360	3.4
332.13922	4.7
335.12457	2.7
337.08353	18.6
338.09161	6.8
339.09918	11.2
341.11432	5.8
344.13934	5.2
346.15826	2.4
351.09903	2.8
353.11526	4.8
358.11887	2.7
359.12912	2.9
360.13428	3.0
363.18329	3.4
370.11908	4.6
371.12640	4.8
372.13550	8.0
374.15198	21.4
384.13602	3.2
385.13962	2.6
386.15271	4.3
388.16898	2.6
391.15338	4.2
392.16089	18.4
393.17133	2.7
398.15131	4.5
400.12320	2.6
410.15332	2.6
415.15744	2.6
416.16290	15.7
418.14047	7.2
428.16287	4.8
429.16754	4.2
430.17969	2.6
431.14932	3.7
432.15573	6.9
433.16345	7.1
434.17206	11.1
435.18213	2.7
445.16879	2.8
446.17273	8.8
448.19098	5.0
449.15982	2.7
456.15686	3.8
457.16235	6.2
458.17096	5.4
461.15958	4.7
473.16006	3.4
474.16635	2.7
475.17508	3.9
476.18182	9.2
478.15930	2.6
479.16931	9.3
484.15524	4.1
490.16559	2.6
494.19632	10.7
501.16006	3.8
502.16104	14.6
516.17798	12.6
520.17749	2.5
534.19073	9.3
536.20264	5.3
537.21350	5.9
543.22626	4.3
548.20331	19.3
549.21368	2.3
555.22894	9.6
556.22400	2.5
566.12720	3.1
566.21490	30.2
567.22607	5.5
569.21613	2.4
573.24072	10.1
579.23218	5.0
581.20514	5.7
585.23090	10.0
597.23755	20.6
599.21448	3.2
601.23132	3.5
611.21985	4.1
613.23163	3.0
615.24835	15.0
623.21777	3.8
629.23743	15.2
630.69611	2.5
631.23883	4.0
641.22455	34.1
643.24066	2.5
645.26111	5.0
655.24072	5.6
659.23621	30.2
661.24756	17.5
663.25330	2.7
673.25128	55.2
674.24866	4.0
687.26257	4.6
691.26123	45.3
692.26703	3.7
693.27814	24.2
705.27948	46.0
723.28845	76.6
724.29315	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	723.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67607	1.8
59.01234	4.1
61.10471	1.8
79.68845	2.1
80.04926	7.2
82.02846	2.9
94.02843	36.5
94.06493	2.9
106.06474	2.1
108.04440	14.1
113.47967	2.5
116.39513	2.2
120.04420	76.3
122.05955	17.9
132.04420	6.2
134.06017	8.2
136.03938	7.6
136.07674	4.0
138.05489	43.3
148.03949	5.2
148.07549	2.5
150.05496	52.4
152.07037	12.6
160.03885	3.3
166.05063	3.4
168.06586	30.2
174.05551	3.7
175.04852	2.9
180.06535	3.5
186.05493	2.7
186.09073	2.7
188.07109	8.1
190.05037	4.1
201.10274	8.8
211.08812	6.1
213.10260	9.5
225.10301	9.6
227.11850	7.6
229.09790	10.5
231.11192	3.5
235.08842	3.9
237.10318	9.9
238.11105	2.9
239.08368	4.2
239.11946	7.3
241.09825	4.8
243.11313	4.8
245.12953	3.3
249.10329	5.0
250.07494	8.9
251.08264	11.7
252.08971	4.4
253.09808	9.1
255.11420	7.8
257.13031	4.3
261.12363	4.4
263.08331	13.6
264.09213	3.2
265.06134	3.3
265.09900	25.6
266.10666	5.7
267.11349	16.6
271.10907	2.9
273.12497	5.1
277.09836	9.4
278.07010	23.3
278.10306	5.7
279.07751	29.0
279.11407	8.1
281.09314	4.9
285.96542	2.8
291.07635	7.9
291.10736	2.9
292.08530	6.3
293.09323	90.1
294.10071	23.5
295.10797	25.2
296.11371	3.7
301.11929	14.6
305.09433	4.7
306.10062	9.2
307.10971	12.7
309.09036	5.5
309.12488	11.6
311.10413	8.1
319.13043	41.9
321.08807	8.0
323.10477	5.7
337.08328	56.9
338.09012	9.2
339.09952	12.6
353.11691	3.6
356.14188	5.7
361.15396	3.0
370.11700	4.1
374.15112	8.6
384.13370	3.7
386.15277	4.0
392.16199	8.5
400.17087	3.5
410.15341	4.7
412.13135	4.6
414.14606	3.8
416.16153	9.3
418.13766	4.4
427.15369	3.3
428.16019	7.7
429.17255	7.1
433.16458	3.1
434.17194	9.7
440.16348	4.0
444.15698	3.1
445.16882	4.8
446.17520	7.0
457.16791	12.1
458.17020	5.2
460.14899	3.6
472.14789	5.5
474.16205	3.5
475.17337	7.1
476.18155	5.2
489.15646	4.4
490.16058	8.4
492.17554	3.7
501.15579	18.8
502.16083	24.8
504.17963	7.0
516.17969	24.5
519.16479	4.6
520.16992	4.8
534.18542	23.5
536.20435	11.6
548.20557	25.4
555.22089	3.3
566.21460	84.4
567.21887	7.2
573.23480	3.4
579.22815	3.3
585.23328	4.5
592.15875	3.2
597.23859	14.8
615.24579	7.4
623.21588	4.5
629.24701	4.5
641.22583	18.5
643.24261	7.4
655.24103	14.2
659.23260	17.9
661.25330	34.7
673.25250	100.0
674.25006	4.5
687.27216	7.3
691.26202	82.4
692.26379	7.9
693.27972	13.0
705.27722	32.7
723.28961	77.5
723.38281	2.0
724.29840	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	723.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93155	1.3
59.01233	5.2
62.23180	1.3
76.74596	1.4
80.04914	9.5
90.37582	1.2
94.02840	23.2
94.06467	2.4
104.04909	2.6
106.06489	4.1
108.04425	14.7
110.05985	2.8
120.04415	78.4
121.05269	1.4
122.05984	19.3
124.03899	1.5
132.04437	5.3
134.05994	6.4
136.03951	4.7
137.04663	1.9
138.05481	34.3
146.06042	3.4
147.05594	2.4
148.03877	7.2
150.05487	51.9
152.07059	8.7
160.03940	3.3
161.04771	1.8
162.05515	1.9
166.04977	1.7
167.41963	1.4
168.06548	27.8
172.11227	3.1
174.05516	5.1
180.06555	3.6
186.05591	3.6
188.07126	7.6
190.05057	3.9
201.10295	11.2
210.07985	1.6
211.08751	3.7
213.10234	11.5
215.11861	2.6
223.08720	3.6
224.09482	2.4
225.10388	8.0
226.11018	1.9
227.11871	8.1
229.09831	18.7
229.13475	5.3
231.11461	3.9
235.08743	4.1
237.10338	5.8
238.07408	1.7
239.08226	2.6
239.11847	11.5
239.26094	1.5
241.09740	3.0
243.11336	8.4
247.10712	2.0
249.07016	2.1
249.10300	4.5
250.07550	4.2
251.08270	5.6
252.08891	1.9
252.24904	1.7
253.09805	11.0
254.10670	1.9
255.11452	8.6
257.12897	6.6
259.10938	3.2
261.12469	4.8
263.08307	6.7
264.09006	2.8
265.06610	2.7
265.09842	15.9
266.10635	3.5
267.11328	9.3
273.12476	6.6
275.08383	2.1
277.07056	2.2
277.09735	8.6
278.06943	9.8
278.10602	5.1
279.07803	11.1
279.11407	7.2
281.09335	5.5
281.12891	1.7
283.10999	1.7
289.12155	4.1
291.07776	4.1
292.08478	3.3
293.09344	36.7
294.10062	11.1
295.10907	15.3
299.10687	2.1
301.11963	20.1
305.09232	2.2
306.10089	6.0
307.10815	6.8
309.09119	2.4
309.12473	9.7
311.10345	12.0
319.13028	57.3
321.08813	6.9
323.10349	3.4
327.13684	4.5
329.11572	3.2
330.12405	2.3
331.13632	2.2
332.14044	3.0
337.08316	20.0
338.08884	3.9
339.09833	14.1
341.11432	2.5
344.14154	2.6
353.11502	3.2
356.14117	1.9
358.11877	3.3
359.12592	2.2
371.12442	6.7
372.13565	5.6
372.17557	2.7
374.14981	15.8
384.13452	2.9
386.11047	1.9
386.15237	3.4
387.15799	2.3
391.15546	3.1
392.16199	12.2
398.15213	3.2
404.16177	1.7
410.15002	2.1
412.13049	2.8
414.14447	2.3
415.15433	1.9
416.16312	11.4
417.16864	1.9
426.14709	2.9
428.16351	7.2
429.16943	3.8
430.17865	2.7
432.15643	5.0
433.16525	2.0
434.17206	8.7
442.14160	2.1
444.15625	2.4
446.17215	6.4
456.15646	3.5
457.16199	4.9
458.17145	5.1
460.15048	2.0
472.14563	2.7
474.16629	3.1
475.17627	2.4
476.18381	2.9
478.15973	2.0
484.15292	3.0
490.16486	5.0
501.15469	8.4
502.16159	13.4
510.18884	1.8
516.17877	13.6
520.17212	1.9
525.21240	1.9
529.24628	2.5
534.18909	8.8
536.20776	3.6
537.21478	4.0
543.66693	1.6
548.20404	12.0
555.22369	4.9
566.21399	28.8
567.22351	4.1
569.24030	2.0
573.23645	3.3
579.22467	4.6
585.23669	10.7
587.25189	1.9
597.23560	25.5
598.23511	2.4
599.21344	4.1
601.23383	1.8
611.22150	2.6
613.23663	2.6
615.24475	16.0
623.21234	2.4
629.24634	10.9
631.23865	2.6
641.22394	24.5
642.23694	2.0
643.24396	2.5
645.26331	2.2
647.27850	2.0
655.24194	3.6
659.23700	26.8
660.24579	2.8
661.25378	29.6
673.25238	94.2
674.25629	5.2
691.26196	100.0
692.26837	6.8
693.27710	5.6
705.27618	11.7
723.28955	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.18337	0.9
81.03329	2.2
83.04881	10.1
83.34007	1.1
94.02826	2.8
98.71133	1.0
108.04433	1.6
110.05926	1.4
120.04425	7.0
134.06013	1.7
138.05469	3.1
146.92540	1.0
150.05484	4.8
168.06587	3.1
200.57594	1.2
201.83127	1.2
225.16023	10.5
278.10727	1.7
279.11237	1.6
310.13483	2.1
322.89798	1.2
333.22897	1.4
345.03641	1.2
445.11636	1.4
451.32892	7.2
517.18628	1.9
590.67462	1.4
613.23022	2.0
661.24969	1.6
673.25281	3.9
677.49768	100.0
678.50281	4.3
691.26208	4.3
705.27545	1.6
723.29620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37709	0.3
72.94812	0.3
76.97675	0.7
83.82986	0.4
104.13544	0.3
108.04415	0.8
120.04414	4.3
122.05982	1.5
126.86522	0.4
132.04327	0.7
134.05968	0.5
136.03920	0.6
136.07527	0.7
138.05467	1.5
146.05898	0.4
147.05544	0.7
150.05453	2.7
152.07004	0.7
168.06548	2.3
175.05023	1.1
176.03477	0.4
184.07610	0.6
187.08719	0.4
188.07051	1.0
190.04968	1.8
198.04292	0.4
200.10759	0.9
210.09203	0.4
212.05894	0.6
213.06644	1.1
214.07254	0.5
225.10490	0.5
227.08220	5.3
227.11847	0.4
228.09032	3.3
229.09802	2.3
242.10663	0.8
243.07532	0.5
243.11346	3.6
253.09811	1.0
256.08536	1.4
257.09299	6.5
270.10172	0.5
271.07910	0.8
271.10901	14.0
293.09296	0.8
295.10886	2.6
299.10379	30.6
300.10715	1.0
307.10934	1.0
317.11429	100.0
318.11710	3.3
321.09070	0.5
357.10815	0.9
371.12439	6.4
372.13110	1.6
446.17853	0.5
458.17316	1.0
476.18225	0.9
502.16196	1.8
520.17267	3.3
534.19080	0.8
552.19800	4.6
553.19775	0.5
611.43695	0.4
613.23071	0.7
629.22046	0.5
645.26105	0.7
657.21960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69015	3.5
59.01257	4.0
65.15917	4.1
80.04915	4.3
83.82704	4.0
94.02867	17.7
105.70536	4.1
108.04420	21.8
120.04430	23.5
122.06030	14.5
124.03929	15.1
124.60033	3.6
132.04449	9.1
134.06007	9.2
136.03966	17.7
136.07582	6.0
138.05533	12.5
148.03922	22.6
150.05547	15.5
152.07121	4.4
160.03922	6.2
166.05086	15.5
168.06705	8.1
173.04694	4.8
180.06674	7.6
188.07089	35.2
211.08786	6.2
213.10426	6.1
225.10306	8.6
227.11992	5.4
235.08704	7.5
237.10452	10.5
239.08389	5.4
241.09880	5.1
250.07446	4.2
251.08577	6.9
251.11946	5.1
253.09935	13.5
263.08350	6.8
265.09851	13.9
267.11475	13.0
277.10004	7.6
278.07129	5.4
279.07849	13.5
282.10776	6.0
285.04117	5.3
291.07916	12.2
292.08533	8.5
293.09299	24.7
294.10123	8.3
295.07614	7.9
295.10889	66.0
305.09360	8.4
306.10010	4.6
307.07693	5.4
307.11084	16.9
309.08737	7.3
321.08774	7.1
335.12451	6.3
335.20721	19.7
339.10144	5.1
354.08676	5.2
357.10727	4.9
370.15900	6.7
386.15234	5.4
389.13568	7.8
400.16852	6.7
402.14587	6.3
414.14780	6.6
426.14890	9.7
428.16418	8.3
432.15543	10.4
444.15649	8.5
454.14713	4.8
456.15607	22.8
458.13849	11.0
474.17267	13.0
476.14600	21.7
488.14572	8.8
490.16412	6.6
500.14752	42.4
508.17285	39.8
518.15698	45.6
532.16858	25.6
536.16705	38.5
550.18469	46.8
568.10504	6.8
568.19489	100.0
693.24469	5.9
755.73114	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	727.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02951	0.2
56.62058	0.2
57.03315	0.7
58.00454	0.2
59.01242	8.7
60.79839	0.2
62.36644	0.3
65.03817	0.2
67.01742	0.3
68.99673	1.6
69.03306	0.6
71.01238	8.9
72.99162	2.1
73.02808	1.4
75.00724	1.6
81.06209	0.2
83.01235	2.0
84.68780	0.5
84.69240	0.4
85.02805	10.3
85.04957	0.2
87.00729	4.4
89.02303	0.8
92.02522	0.2
93.03320	0.9
95.01239	6.7
96.95896	0.4
97.02802	3.2
99.00734	12.2
101.02293	0.4
103.00245	0.7
103.03840	0.3
106.04098	0.3
106.81146	0.2
107.04886	28.6
108.02013	0.5
108.05205	0.3
109.02827	0.4
111.00758	0.5
113.02305	10.7
115.00230	2.3
115.28951	0.2
121.02817	13.6
121.06440	0.4
122.03600	22.9
122.07243	0.3
123.04482	1.1
124.01519	1.0
124.71470	0.3
129.01796	0.9
131.04837	0.2
136.01613	0.2
136.03932	0.7
137.02319	1.4
139.00255	3.6
151.47850	0.2
154.02641	1.7
157.01308	2.2
171.08073	0.3
175.02373	3.1
193.03404	0.5
195.26768	0.2
199.07527	0.6
209.06114	0.4
225.05583	0.4
227.07114	4.1
228.07851	1.0
229.08659	100.0
230.09009	1.8
233.06622	0.3
245.08333	0.3
263.07614	0.3
271.09756	3.6
271.93112	0.3
297.11389	0.3
303.07019	0.4
307.09741	0.2
321.08289	2.6
343.11880	6.9
344.12094	0.2
384.45590	0.2
387.11050	0.5
405.11942	7.6
489.17731	5.5
507.18704	0.3
533.16541	1.6
551.17743	58.5
552.17932	2.1
709.19604	1.0
727.21002	27.9
728.21442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25268	1.2
64.75877	1.3
67.38969	1.1
74.52940	1.4
80.04886	1.4
86.93265	1.1
92.42682	1.3
94.02840	19.2
94.06463	8.8
96.95877	3.0
106.06497	2.8
107.03622	4.8
120.04433	3.2
120.08057	17.1
122.05982	66.3
131.67529	1.6
132.04448	2.1
134.06030	4.9
136.07561	4.2
138.05498	16.4
148.03918	1.9
150.05501	4.6
158.02356	1.6
160.03853	1.9
166.04994	23.1
175.96800	1.5
178.04994	1.8
179.05893	2.4
190.05046	5.5
215.11874	2.0
223.08691	2.9
224.09480	1.9
236.09380	1.7
237.10359	5.9
238.11067	3.3
239.11839	8.8
249.10339	1.8
251.08084	3.8
251.11911	5.8
253.13466	1.6
259.10944	3.8
263.08347	4.4
264.09036	11.2
265.09763	8.3
267.11423	2.4
277.09854	3.7
279.11398	31.3
280.12131	3.3
283.10806	2.3
291.11380	4.8
292.12021	2.1
293.09436	3.2
295.10779	2.3
298.33597	1.5
305.09525	3.2
309.08917	2.0
311.10495	1.8
323.10513	7.0
324.11139	4.2
325.11807	2.4
337.08374	5.9
339.09927	2.5
340.10400	1.8
353.11423	3.6
358.15695	2.9
369.10767	2.0
372.17285	4.7
376.16684	2.5
396.45432	1.7
414.18607	7.1
415.19049	1.8
416.16327	4.2
418.17780	4.4
431.18420	3.0
440.16098	2.1
441.17032	2.4
458.17307	8.7
459.18106	9.4
462.16779	4.3
502.16391	2.4
534.18597	15.6
555.22162	1.9
597.23480	3.3
599.21820	5.6
602.32257	1.7
615.24420	7.2
631.24078	29.9
632.24719	1.6
641.22925	5.6
659.23657	43.8
673.25458	14.2
691.26227	100.0
692.26569	4.5
732.85596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27912	0.7
56.69161	0.7
59.01237	2.2
62.92047	0.7
65.63717	0.7
72.13201	0.8
94.02840	1.6
96.18736	0.7
108.04417	1.9
122.05969	8.1
124.03908	1.4
134.05986	2.2
136.03951	4.7
136.07549	8.7
138.05513	3.1
150.05498	9.3
152.07083	3.7
186.09178	2.9
190.05078	1.6
201.06615	2.2
202.07281	1.3
202.12372	1.7
212.10718	1.7
215.08249	2.8
228.10284	2.5
229.09804	13.7
230.11967	10.0
245.09308	3.6
255.11346	4.0
257.09277	7.2
273.12460	23.8
317.11447	16.1
335.12509	100.0
336.12961	1.0
355.13098	3.5
511.12628	1.0
555.80750	0.9
613.23206	1.5
619.24023	0.9
631.23865	1.3
681.22748	0.9
691.25702	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	727.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55417	3.3
61.98691	9.3
73.80968	3.5
94.02837	29.8
96.04416	4.6
96.95894	4.5
101.73564	3.9
106.02827	4.9
107.03759	4.5
108.04401	4.6
120.04413	11.4
120.08071	18.7
122.05996	15.0
124.03933	6.6
134.06004	10.1
136.03941	12.3
136.07547	5.1
138.05475	14.9
148.03928	17.6
150.05501	18.7
152.07056	6.1
156.00060	4.1
158.02327	4.4
161.04747	4.5
162.05518	4.5
164.07071	5.9
166.04999	29.6
186.21190	4.4
190.05051	6.5
221.55913	4.2
223.08826	4.4
229.09776	12.2
237.10350	10.8
239.11848	8.2
249.10474	6.4
251.08089	5.5
251.11981	5.8
255.11362	6.1
257.09247	8.4
263.08295	8.3
264.09229	8.0
265.09787	9.4
273.12555	14.8
275.13293	4.8
277.09787	9.1
278.10434	5.9
279.11401	29.2
281.09570	4.7
289.05429	4.5
291.11316	5.8
299.10434	9.9
305.09622	4.9
309.08841	4.9
317.11505	36.8
335.12524	63.1
342.16452	5.8
440.15912	11.8
458.17642	5.7
465.17358	5.3
525.26971	5.0
530.30762	4.9
534.18634	23.7
597.23523	5.6
599.21948	7.6
629.22791	6.4
631.24341	14.4
641.22858	29.6
641.76373	5.1
643.55444	5.1
659.23840	52.9
660.23962	7.5
673.25507	41.7
691.26410	100.0
756.56427	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	727.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84878	0.1
54.65524	0.1
57.02135	0.2
57.03316	9.8
59.01230	0.5
67.15638	0.2
71.01240	1.5
73.02795	0.3
81.03296	0.2
81.37571	0.2
85.02807	0.6
93.03313	0.5
96.95876	0.3
99.00718	0.2
99.04379	2.1
100.74227	0.2
101.02306	3.8
108.02029	8.6
109.02821	0.6
109.69867	0.2
113.02300	0.8
120.99335	0.2
121.02821	15.2
122.03605	23.9
123.00787	0.4
123.04387	19.0
123.08385	0.2
124.01490	0.4
125.02314	2.4
134.03543	0.4
136.01505	0.3
136.05177	0.6
137.02312	1.7
137.05952	0.2
137.87119	0.2
154.02588	0.7
161.04396	1.1
183.90034	0.2
193.78845	0.2
227.07072	2.4
244.07393	16.0
245.07881	0.3
257.08273	0.3
258.08963	0.5
258.99118	0.9
259.09756	100.0
260.10086	1.5
297.11240	0.3
299.36423	0.2
301.10651	0.3
403.14127	2.1
421.15079	22.5
422.15637	0.4
463.16092	5.3
503.19022	1.3
565.18994	0.5
583.20410	2.6
625.21484	0.7
727.24597	11.0
728.25079	0.4
756.57361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69682	2.2
56.26284	2.5
65.99715	8.5
67.35661	2.5
87.00716	5.8
94.02867	6.0
103.81246	2.4
118.56133	2.7
120.04395	5.8
129.39384	2.8
134.06029	4.2
138.05449	6.4
152.07195	2.9
168.89220	2.7
176.07082	6.4
182.20898	2.6
204.06610	4.9
206.08237	3.5
224.09265	5.4
225.05449	3.9
227.08316	5.2
234.07684	5.4
241.09773	17.8
242.10634	10.7
252.08765	100.0
286.09579	11.2
317.11398	4.2
361.57599	3.2
382.14233	6.2
414.16748	4.7
424.15457	9.6
442.16254	46.2
456.17816	4.2
474.19052	16.4
547.04840	3.6
677.24194	4.2
739.92212	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	728.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77374	0.3
62.96263	0.6
63.44506	0.3
70.43575	0.3
74.98961	0.9
77.97350	0.5
78.93835	1.4
78.95761	100.0
78.97430	1.0
86.41130	0.3
96.96821	11.7
134.04605	9.2
138.97919	0.3
150.97919	0.6
158.92445	11.5
163.01558	2.2
174.97922	1.1
175.52045	0.7
181.02617	1.1
190.02663	0.6
191.01112	2.7
192.99001	0.5
207.26230	0.3
208.03741	3.6
209.02190	0.5
211.00162	0.7
260.99423	0.6
269.99567	0.4
270.97830	0.4
272.95715	3.8
305.09183	1.4
321.06754	0.4
328.04477	1.2
339.07874	6.9
346.05566	6.4
352.20377	0.5
357.08868	1.3
357.28705	0.3
367.04910	0.4
381.08939	7.8
399.09995	1.5
408.01151	4.1
443.04898	0.3
461.05624	5.7
718.68512	0.3
728.15289	32.1
729.15204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67799	1.5
68.39153	1.4
80.04916	4.3
94.02870	5.8
96.95857	1.7
104.04912	1.9
106.06499	3.4
107.99866	1.8
108.04423	3.7
122.05977	10.4
127.92655	1.5
134.05986	29.1
136.07564	9.0
138.05449	3.2
146.06036	3.1
148.03900	3.3
149.69872	1.5
150.05533	2.3
152.07060	27.5
154.83398	1.4
160.04007	1.8
174.05556	2.3
180.06610	5.9
188.07118	15.8
190.04996	2.3
225.10339	5.5
226.11107	2.2
227.11978	4.7
238.07489	2.4
245.12930	3.5
249.10304	2.1
251.11913	2.6
252.09033	1.8
253.09747	8.3
265.09882	4.2
267.11404	3.8
273.12433	2.6
277.09732	3.3
279.07922	3.6
279.11255	4.1
292.08453	3.0
293.09286	10.3
295.10867	38.6
295.14017	2.6
305.09494	4.3
307.10815	14.5
317.11487	2.3
321.08804	2.4
323.10379	3.8
335.12598	12.6
336.12711	2.1
355.13187	3.3
414.18408	3.4
430.17578	7.1
442.17599	13.8
458.17093	1.8
460.19101	11.6
468.15475	2.0
474.16855	4.4
486.16733	16.2
504.17776	53.2
506.19431	3.8
518.19336	8.5
536.20422	100.0
537.20917	3.8
693.29291	1.9
701.80353	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	731.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08077	4.6
72.08491	4.3
78.95757	74.0
84.27721	5.2
84.68382	4.2
85.52827	4.9
94.80199	4.5
96.96822	100.0
96.97397	8.7
99.86442	4.9
103.37648	4.6
137.61775	5.5
199.00102	8.3
213.01631	6.1
228.21884	5.1
241.07301	6.8
255.08943	10.4
257.08218	12.7
282.58698	5.1
426.58618	5.3
449.45981	6.2
449.53366	5.6
454.99686	6.2
455.09760	88.9
575.10254	7.5
651.28839	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	735.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16454	0.4
59.01224	1.2
62.22064	0.2
63.02258	0.4
71.01228	1.2
75.00736	0.4
79.95573	0.8
80.74241	0.3
83.01241	0.3
85.02801	1.9
87.00745	0.3
89.02294	0.3
89.33143	0.7
89.33647	0.6
96.95869	23.3
96.98264	0.3
97.92999	0.3
99.00727	0.6
103.00214	0.3
107.01251	1.0
109.02819	0.4
109.42374	0.2
113.02325	1.4
114.93301	0.5
129.01787	0.3
133.02817	3.0
135.24249	0.3
149.02319	1.0
151.00232	2.6
171.04410	0.4
175.02493	0.3
175.03862	1.8
177.01782	0.3
193.48596	0.4
193.50224	0.3
199.03969	1.6
201.01743	0.5
213.05440	0.4
217.05017	1.0
218.17438	0.3
234.78554	0.3
241.05038	0.8
243.02989	0.5
257.04529	0.4
267.03015	0.4
284.03241	0.8
284.90387	0.8
285.04059	100.0
286.04422	2.6
286.07150	0.5
327.04974	0.6
340.99658	1.4
357.06226	0.4
373.53265	0.3
383.01212	0.3
395.00916	0.5
461.07303	39.7
462.07785	1.4
479.08194	0.9
558.18304	0.4
637.10510	10.7
638.11121	0.7
675.05536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.1
71.01225	0.9
78.95742	0.7
80.75349	0.6
85.02789	1.9
89.33233	1.0
89.33705	0.8
96.95868	19.5
107.01251	1.0
113.02274	1.4
133.02831	3.7
151.00256	2.3
175.02464	1.2
175.03920	1.7
188.98610	1.5
199.03949	1.9
217.04985	1.4
254.99709	0.8
284.03433	1.3
285.04059	100.0
286.04504	3.3
340.99765	9.9
355.98499	1.1
367.12750	0.9
383.01038	1.1
395.00714	3.9
461.07315	44.7
462.07547	1.5
479.08237	1.3
499.01926	3.8
584.77551	0.9
598.21442	0.7
637.10474	10.6
652.34570	0.7
675.05231	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	735.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63742	2.4
52.34974	2.3
54.90931	2.6
57.21330	1.9
61.98662	2.3
76.73123	2.2
94.02838	5.1
106.06499	5.5
117.26371	2.5
134.06020	14.0
136.07448	2.6
152.06999	8.1
152.42809	2.4
214.61238	2.7
249.10275	3.0
249.66827	3.1
251.11900	4.3
263.08340	3.9
264.08820	2.8
277.09842	3.7
278.10547	6.8
279.11426	10.0
289.09976	3.1
290.10648	3.9
291.11371	3.4
299.07910	4.1
301.09558	5.4
305.09109	9.6
324.43271	2.9
345.08536	10.6
346.09250	4.0
357.08505	3.6
396.47299	3.7
398.18628	4.9
420.17526	5.1
426.18402	3.7
426.24390	3.1
434.15042	3.4
448.16241	16.5
449.16678	5.4
452.16049	7.9
481.16165	3.9
492.15109	4.3
493.16226	13.3
510.16553	4.9
511.17450	12.2
542.18933	25.5
543.18860	3.5
639.24329	7.4
649.22644	9.0
667.24268	16.6
681.25635	23.7
682.25073	3.3
699.26581	100.0
700.26953	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	735.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00011	0.7
59.01242	42.9
59.02316	0.7
60.11026	0.5
61.98681	1.4
66.68895	0.5
69.03297	1.5
71.01240	29.5
71.01633	1.6
72.99148	1.4
73.02813	5.6
81.03319	1.7
82.28282	1.5
82.28712	0.9
83.01237	3.6
85.02808	7.6
87.00733	5.9
89.02296	32.5
91.72708	1.3
95.01244	1.5
97.02820	5.4
99.00716	2.5
101.01644	1.4
101.02303	27.9
103.03835	0.7
111.04366	1.4
113.02299	13.5
113.44953	0.6
113.46135	0.7
115.03869	0.9
119.03356	10.0
121.02797	1.2
124.01604	0.8
125.02319	8.6
127.03849	0.8
129.19977	0.7
131.03371	0.9
133.04916	1.0
143.03371	5.3
161.04451	6.4
167.03421	1.1
171.53534	0.7
179.05551	4.9
200.19580	0.8
203.41045	0.8
217.06952	0.7
221.06602	1.6
235.08229	12.2
252.88864	0.7
253.09306	2.5
263.07797	1.3
268.35498	0.7
275.20108	0.7
277.09427	1.4
277.21741	89.2
278.22067	2.0
287.07770	2.8
305.08783	4.1
323.09848	1.3
361.11230	0.8
379.12653	1.4
397.13535	100.0
398.14105	1.0
415.14606	36.7
445.41336	0.7
510.57462	0.8
675.36279	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	735.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
59.01243	39.4
61.98685	1.2
67.34988	0.8
69.03312	2.1
71.01238	27.8
72.51238	0.8
72.99194	1.3
73.02802	4.0
81.03326	1.2
82.28296	1.6
83.01254	3.7
85.02805	6.6
85.99999	0.8
87.00734	6.4
89.02297	31.7
89.02844	1.7
91.03866	1.0
91.73365	2.1
93.03402	0.8
95.01251	2.1
97.02805	6.2
98.35297	1.0
99.00728	2.0
101.02307	26.6
113.02309	12.3
119.03377	9.6
120.84100	0.8
123.49545	0.9
125.02316	10.4
130.64070	0.8
131.03423	1.5
133.04883	1.1
139.03937	1.2
143.03387	4.1
149.04388	0.9
156.26804	1.2
161.04469	7.1
179.05484	4.7
185.04494	1.0
192.95920	0.9
221.06715	1.6
231.09753	0.9
235.08209	10.8
253.09337	2.6
277.21741	80.2
278.22159	2.1
287.07803	2.5
305.08810	3.9
323.09827	1.3
379.12512	1.3
397.13538	100.0
398.13742	1.6
415.14615	33.4
447.59668	1.0
554.59241	1.1
589.88379	0.9
675.35828	1.7
740.91901	0.9
759.27209	1.2
761.78137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67290	1.4
58.71842	1.3
59.69958	1.1
61.98695	40.9
64.39467	1.3
66.61926	1.5
88.37068	1.6
88.89421	1.3
91.72697	3.4
96.95882	2.6
134.05971	2.0
135.11324	1.4
145.86873	1.5
152.07164	2.3
173.69914	1.6
200.10628	1.8
200.50667	1.6
227.08325	3.2
228.08879	2.0
229.09821	2.5
243.11400	3.2
243.43163	1.9
257.09378	3.1
271.10977	10.4
299.10403	23.8
317.11447	100.0
355.12976	4.9
356.13776	2.0
414.14911	1.9
629.26031	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	737.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50872	1.6
52.62867	1.7
60.95537	1.9
65.46597	2.2
69.51279	2.1
69.72713	1.9
72.76301	2.2
72.99163	4.4
84.93723	3.0
85.02831	2.7
86.33463	1.9
96.95880	25.5
98.95457	7.3
99.00737	2.9
99.92440	33.0
100.93198	13.2
114.89960	2.2
115.91940	35.7
116.92720	55.2
132.92195	2.4
133.02846	4.4
135.21742	2.2
142.94302	7.2
175.03845	3.6
212.95161	3.2
217.05154	2.9
256.93970	8.7
257.94736	5.2
258.95615	3.3
274.95032	27.9
284.03281	3.6
285.04068	100.0
286.04395	33.3
287.04660	18.5
310.65576	2.8
366.95419	2.9
367.96283	5.0
368.97150	8.5
384.96466	13.1
443.06198	3.8
461.07272	24.5
462.07471	19.5
463.07886	12.5
526.99640	5.4
542.98846	6.2
560.99896	9.2
637.10699	4.9
638.11072	6.3
639.10797	6.0
668.73492	2.7
737.02563	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	737.519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	0.2
59.00116	0.2
59.01242	14.4
59.02476	0.2
65.14259	0.1
67.65241	0.1
72.04394	0.2
80.04925	0.2
81.03314	5.1
81.05368	0.1
82.06476	0.2
83.03008	0.2
83.04878	17.2
83.06990	0.3
84.05228	0.2
87.51141	0.1
91.72728	0.2
99.58509	0.1
100.07539	0.2
107.05999	0.4
108.04429	0.6
123.97253	0.1
125.07074	1.3
126.05484	0.4
143.08170	0.6
146.91019	0.1
157.13371	0.1
164.08188	0.1
169.13390	0.1
181.17015	0.1
199.18050	0.2
207.14986	1.5
208.13382	0.1
222.16061	0.2
224.17674	3.1
225.16049	14.3
226.16331	0.3
242.18777	0.7
252.17377	0.1
268.16650	0.2
274.95575	0.1
290.22467	0.2
291.20816	0.1
309.21835	1.0
324.26456	0.6
333.22928	0.8
339.27670	0.2
339.65781	0.1
341.29205	1.1
350.24429	0.1
351.23981	0.3
367.27136	1.4
385.28281	0.2
407.34094	0.1
433.31912	1.2
450.34521	1.6
451.32928	8.0
452.33255	0.4
467.97989	0.1
468.36194	0.1
476.32275	0.1
479.34201	0.1
535.38153	0.2
550.43365	1.3
559.39594	0.3
565.44165	0.2
567.45801	0.2
577.41132	0.1
593.43872	0.7
597.12476	0.1
659.48706	2.4
677.49774	100.0
678.50049	8.2
704.50531	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38440	2.0
58.48871	2.4
59.01270	3.2
61.98692	13.3
80.04945	6.7
94.02869	3.7
103.28311	2.7
106.06516	6.5
108.04411	2.9
122.05952	15.0
124.03995	3.4
134.05989	25.9
136.04024	4.8
136.07620	9.0
138.05533	4.1
142.63960	2.6
148.04010	5.4
150.05583	11.5
152.07076	30.8
168.06552	3.5
185.38327	2.7
201.10365	12.2
213.10326	6.9
214.11328	3.5
227.11859	4.2
229.09807	17.6
229.13457	8.0
235.20644	3.0
239.12016	6.0
241.09940	3.3
245.12912	4.4
247.11031	4.5
255.11646	4.9
257.12863	3.9
267.11679	5.2
273.12628	6.0
277.09933	3.5
295.10855	5.3
299.10614	4.3
300.10831	3.7
301.11926	22.1
313.12091	3.6
317.11438	16.0
318.11722	17.9
319.12982	72.8
320.13544	4.3
323.10440	9.7
327.13568	6.1
330.12567	4.8
355.13159	6.0
374.15292	12.6
391.15430	4.0
392.16391	12.0
416.16364	7.4
432.15829	6.7
434.17288	7.2
557.24176	6.6
569.24054	6.5
581.24493	6.9
599.25317	33.4
613.23401	10.8
625.23004	15.5
643.24182	100.0
644.24481	4.6
645.25964	5.1
657.25171	14.8
675.26721	68.9
676.27588	5.0
738.30737	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	738.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	15.9
67.41730	0.9
68.40374	0.8
72.18478	0.8
78.41199	0.8
78.95761	8.7
85.06527	0.9
95.74343	0.9
121.52633	1.0
155.14291	3.2
168.04256	2.5
183.13808	1.7
201.14897	100.0
203.83974	0.9
224.06873	2.1
255.23288	36.7
480.31183	3.0
621.61279	1.1
664.45605	50.7
665.46167	2.5
696.93500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38694	2.0
59.01239	6.6
68.41984	2.1
80.04916	11.5
82.02831	3.7
94.02847	41.3
96.04380	3.6
99.98299	2.8
104.04884	2.5
106.02818	5.8
106.06471	3.1
108.04414	25.8
120.04417	23.4
120.08013	2.9
122.05982	20.1
124.03918	32.1
132.04448	5.8
134.06030	6.4
136.03922	33.6
138.05487	22.8
147.05568	2.8
148.03922	32.3
150.05469	23.9
150.18269	2.5
160.04005	6.0
162.05487	3.7
166.04997	23.8
168.06593	5.2
172.11259	4.3
174.05569	7.8
180.06551	2.5
187.08684	4.7
188.07121	8.5
190.05051	7.2
197.07259	3.4
199.08670	3.4
201.10316	15.4
211.08791	7.0
213.10251	10.3
217.09766	8.6
223.08876	4.5
225.10263	8.0
227.08253	3.3
227.11916	7.8
229.09846	28.0
229.13408	4.2
235.08743	10.2
237.06622	3.6
237.10352	9.0
238.07460	5.3
239.08202	11.1
239.11954	12.5
241.09799	9.6
249.06831	6.5
249.10353	4.7
250.07491	8.5
251.08240	11.5
251.12030	3.4
253.09810	12.8
255.11414	9.5
257.13074	7.7
259.10992	4.9
263.08289	17.6
264.09155	6.6
265.06543	5.8
265.09808	26.4
266.10510	9.0
267.07794	8.0
267.11444	10.1
273.12643	9.9
277.06256	3.8
277.09787	10.2
278.07001	20.5
278.10675	10.9
279.07785	39.8
279.11282	7.1
280.08676	4.0
281.09366	8.4
290.07285	4.1
291.07819	21.0
291.10880	4.3
292.08490	12.4
293.09344	60.5
294.10062	26.1
295.07471	6.4
295.10861	17.5
301.11938	22.6
305.09235	6.8
306.10022	5.4
307.07501	4.8
307.10907	10.5
309.08771	13.2
309.12491	8.9
311.10553	3.8
319.07217	6.2
319.13004	68.6
320.07629	4.1
321.08853	7.7
323.10541	3.5
325.11914	6.4
327.09979	6.6
327.13589	7.9
329.12479	3.8
335.12366	6.3
337.08276	32.2
338.09006	7.6
339.10065	4.2
342.12515	4.0
344.13940	4.4
351.10080	4.1
355.09482	6.4
356.10046	3.8
356.14102	5.6
358.12112	4.7
369.10825	4.9
370.11850	4.7
370.15836	3.9
372.13351	4.2
374.15100	13.3
382.11758	3.7
383.12543	3.3
384.13586	7.0
386.10855	3.9
386.15176	7.6
390.14740	3.5
392.16342	12.1
396.13528	4.1
398.15259	4.7
400.12683	3.9
412.12964	7.7
413.13943	5.5
414.14658	8.7
416.16257	11.7
426.14584	4.4
427.15451	5.9
428.16217	9.7
428.95474	3.3
431.14438	6.9
432.15738	10.3
434.17264	8.7
438.15106	3.6
444.15814	6.4
446.18042	4.7
450.16440	3.7
455.15167	4.5
456.15466	12.3
458.13602	10.9
460.15292	6.0
472.15268	4.7
476.14484	4.8
488.14417	5.7
490.16165	5.2
493.18564	5.6
494.15463	5.5
499.13766	4.5
500.14703	10.1
514.16327	8.0
522.18738	13.7
523.19733	7.2
526.18060	18.9
532.17267	5.5
534.18738	4.3
535.20068	8.4
546.19067	10.1
553.21179	15.5
564.19922	17.0
571.22064	6.9
577.20764	8.0
582.20917	8.4
582.80762	4.0
583.22009	8.5
585.24219	4.0
595.22205	20.8
596.22656	3.1
597.20660	6.6
609.20068	5.1
611.21387	7.8
613.23108	13.0
615.20813	14.5
617.22913	7.8
627.23309	11.3
629.22583	28.1
631.24475	4.3
639.21118	32.1
641.22675	6.6
645.24683	4.6
647.23651	73.7
653.22449	5.9
657.21893	21.0
659.23987	24.3
661.25018	11.0
663.26672	6.0
671.23645	100.0
672.24225	4.2
675.22925	8.7
677.24652	8.5
679.26129	25.3
689.24799	72.4
690.24780	4.5
691.26941	7.2
703.26306	18.1
707.25940	39.2
721.27588	22.0
739.28473	20.5
756.52905	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	739.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38804	4.7
53.70085	4.7
59.01259	7.5
64.53786	4.1
69.02581	4.6
70.05514	4.4
80.04902	7.4
82.50156	4.1
91.06761	4.8
94.02831	32.5
96.95863	6.5
106.02855	7.2
108.04420	23.9
113.66328	4.8
120.04395	35.8
122.05977	20.5
124.03909	26.3
136.03946	34.7
137.27023	5.2
138.05504	24.9
148.03912	31.9
150.05502	22.6
166.05031	22.4
174.05513	8.5
180.06534	6.3
188.07103	14.1
201.10359	11.3
205.68919	5.5
211.08765	9.1
213.10349	13.0
217.09848	6.9
223.08791	10.5
223.19318	6.0
225.10368	9.3
227.12003	8.9
229.09790	20.9
229.13509	9.2
237.10263	9.6
239.08121	6.9
239.11926	12.4
241.09825	8.9
250.07420	6.1
251.08260	7.2
253.09940	9.9
255.11420	8.8
263.08356	17.2
265.06207	7.2
265.09845	16.3
267.11444	6.7
277.09772	7.4
278.07022	10.1
278.10452	6.6
279.07803	25.1
291.07764	24.0
293.09247	44.5
294.10132	8.6
295.10968	16.6
301.12051	23.3
305.09183	6.6
307.10883	8.5
309.08914	7.3
309.12573	7.6
319.13034	69.1
337.08463	32.3
339.09680	6.3
344.14090	9.0
351.09824	7.0
356.14240	7.1
369.11349	6.9
372.13754	6.5
374.15125	8.8
384.13849	13.3
392.16187	14.6
412.12778	10.7
416.16171	12.2
428.16254	13.5
432.15787	14.1
434.17102	10.6
456.15796	10.4
458.13333	10.4
476.15457	8.5
490.17245	7.2
500.14774	12.2
518.15240	7.2
522.18750	13.4
535.19983	12.9
546.19312	13.9
553.21503	11.1
564.19946	17.0
571.22589	11.6
583.22095	10.4
595.22137	22.4
597.19519	8.4
611.21594	9.9
613.22943	10.2
615.21307	12.0
627.22931	13.1
629.22650	23.4
639.21252	29.3
643.77716	7.4
645.22827	6.3
647.23779	83.4
657.22284	22.8
659.23621	34.2
661.25812	11.1
671.23749	100.0
675.23187	9.0
679.26105	38.4
689.24786	76.4
703.26630	12.7
707.25836	31.9
721.27661	21.8
739.28680	18.4
767.89789	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	740.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81391	3.1
55.87638	3.1
57.42687	2.9
61.98693	22.4
63.48537	2.9
69.76578	3.7
70.15102	3.5
77.36939	3.7
94.02847	35.3
96.95850	4.7
98.92573	3.6
107.03677	4.0
120.08049	26.7
122.05988	36.8
134.06007	13.4
138.05461	21.4
152.07060	100.0
163.65219	3.9
165.76553	4.4
190.04958	8.7
215.11882	4.7
223.08778	9.8
237.10371	15.0
239.11935	8.4
239.89255	5.0
251.08377	4.8
251.11894	6.9
257.83478	4.4
263.08188	6.3
264.09143	13.8
265.09763	6.8
277.09879	11.9
278.10635	8.4
279.11377	42.0
291.11234	7.2
323.10486	14.0
376.16708	6.1
402.18613	6.4
422.34766	4.3
444.19427	11.7
448.18970	6.0
466.76831	4.8
477.19754	4.7
488.18042	18.1
489.19022	15.9
520.20856	34.9
529.54669	5.4
583.25983	6.3
585.23389	18.4
590.10583	5.9
617.26221	53.1
627.24500	14.4
645.25720	90.0
659.27417	17.0
677.28296	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68399	1.0
61.98697	7.0
65.99689	1.2
67.84224	0.9
68.10548	1.0
69.34548	0.9
69.54983	1.0
80.04910	2.7
82.02840	1.3
91.72679	1.9
94.02840	38.8
96.04408	4.1
104.04940	3.1
106.06492	8.6
108.04416	2.6
108.08041	1.5
108.91492	1.1
110.06003	2.0
120.08055	29.5
122.05991	25.7
124.07569	1.2
132.04431	5.6
134.05997	62.7
136.03961	1.4
136.07536	11.9
138.05482	21.4
148.03976	1.4
148.07597	1.1
148.40100	1.0
150.05467	5.4
152.07063	64.0
158.02444	2.0
160.03931	3.6
161.04707	2.0
162.05525	1.6
164.07068	3.5
174.05542	2.3
190.05020	5.9
192.93977	1.1
200.07190	1.3
202.30591	1.1
211.12363	3.4
213.10300	1.4
215.11827	1.8
221.10905	1.9
223.08746	10.5
223.12303	1.4
224.09546	3.5
224.11517	1.1
225.10274	4.4
227.11897	1.7
235.08810	2.0
235.12395	3.8
236.09541	2.5
237.10344	13.9
238.11055	5.4
239.11859	13.4
243.11143	1.1
245.12906	3.3
249.06622	3.0
249.10281	3.3
250.11011	1.4
251.08273	3.1
251.11908	10.3
252.12648	1.5
253.09866	2.5
255.11360	1.9
259.10901	1.7
261.10379	2.3
262.07584	2.4
263.08289	8.4
263.11639	1.5
264.09058	17.0
265.09845	6.4
265.12451	1.1
266.10480	1.7
267.11356	2.4
271.11014	2.0
273.12680	1.4
275.08105	1.3
276.08984	3.8
276.38705	1.3
277.09772	10.6
278.10544	9.3
279.11383	57.8
280.12244	5.9
281.13000	4.5
283.10742	2.1
290.07129	1.1
290.10632	2.7
291.11383	16.1
292.12228	3.7
293.13000	2.1
294.13773	1.2
295.10904	5.8
297.12653	1.3
303.13998	1.3
305.09381	4.6
307.10950	2.2
311.14047	2.1
323.10461	12.1
324.11218	4.3
325.12015	1.6
334.15866	1.9
354.13034	1.2
355.12964	4.4
358.15518	1.7
368.13806	1.6
370.15323	2.5
372.17407	3.1
376.16428	1.7
382.19443	1.9
384.17435	2.1
386.18903	1.5
398.14688	2.5
398.18979	3.1
399.19623	2.1
402.18405	9.9
403.18936	2.0
412.16486	1.4
414.18146	4.1
418.17453	1.5
426.18393	15.3
427.18857	4.1
428.16046	1.8
430.17661	4.7
431.18472	1.6
441.16574	2.0
443.18588	3.2
444.19449	5.3
448.18262	1.4
452.16257	2.1
453.17120	3.5
458.16608	6.0
459.17932	9.3
470.17181	6.7
471.18039	15.8
488.18112	7.0
490.19794	3.6
502.19708	2.6
520.20941	35.3
521.21277	1.9
539.26477	2.0
541.24634	1.6
555.22333	2.1
565.24542	2.4
583.25775	10.5
585.23993	5.3
597.23499	3.2
599.25116	2.4
601.26947	2.1
609.23688	4.2
615.24609	13.8
617.26349	8.0
627.24670	38.7
628.24957	2.4
641.26410	3.3
645.25708	88.1
646.26221	3.8
647.27277	9.2
659.27307	31.1
677.28339	100.0
678.28870	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	740.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02877	7.6
68.82418	4.0
70.36930	4.0
87.05474	5.3
88.03899	30.0
93.04485	6.0
96.23553	4.5
96.95885	8.7
99.45103	5.1
101.07045	8.4
109.20563	4.4
114.05476	4.7
134.03496	6.0
153.06609	11.2
153.07716	7.0
186.05478	9.2
197.07057	5.5
198.12483	10.6
200.14000	17.8
222.10417	8.2
233.10388	5.4
242.11505	24.8
265.10873	12.8
283.11957	7.8
710.36462	39.1
736.50122	5.9
740.37531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44114	0.8
53.35323	1.0
57.36057	0.8
59.01248	1.1
64.25175	1.1
69.30173	0.9
69.55178	0.8
73.79522	0.9
77.03824	1.6
81.07433	1.2
116.92741	1.8
116.97112	3.2
121.02823	100.0
121.51511	1.0
131.18086	1.2
133.73997	1.1
161.51872	1.0
165.01833	63.3
181.06549	2.0
195.68294	1.1
225.05461	1.8
264.26712	1.1
313.07071	2.6
341.29736	1.2
357.06277	11.5
649.04938	1.5
741.14978	6.2
750.97162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34446	2.0
58.02831	5.8
59.14828	1.9
59.40826	2.3
64.76128	1.7
64.88965	2.2
67.42511	2.1
71.12409	2.2
74.02336	9.0
86.02334	4.7
99.05486	13.2
101.07014	2.0
104.45061	1.9
107.04909	4.7
121.02843	10.9
128.03413	32.5
143.04509	46.5
146.04472	3.9
161.15175	2.2
167.04745	2.6
179.04558	7.1
183.69725	2.0
185.05907	3.5
197.06012	4.3
210.08786	10.7
213.03799	3.0
223.03961	3.0
224.51379	2.4
239.03508	2.6
240.04367	6.3
254.07753	22.2
256.01935	4.8
272.05966	4.9
272.08914	100.0
273.09009	3.2
362.06183	3.3
379.13367	2.8
407.12900	6.7
435.12344	6.5
469.11169	98.2
470.11493	2.9
742.20581	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	742.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37934	1.0
55.23941	1.2
58.02835	5.3
65.13465	1.1
74.02330	11.0
86.02332	5.5
87.05495	3.5
91.72548	1.3
93.03315	1.7
99.05495	11.7
102.05473	1.6
107.04889	3.2
109.07718	1.4
121.02847	9.0
123.02642	1.9
125.03486	1.9
128.02437	2.2
128.03406	39.5
135.05521	1.6
141.06601	1.3
143.04506	60.0
143.12613	1.4
145.06100	1.9
146.04489	6.5
153.06531	2.0
166.09773	1.7
167.04556	2.6
176.26968	1.5
179.04512	12.2
184.05263	3.4
185.05795	2.3
195.04533	3.3
197.05899	4.2
199.02434	1.8
201.03864	1.8
210.08780	14.3
213.03773	2.3
225.05620	1.7
229.03416	2.0
239.03622	1.5
240.04295	4.8
241.03261	2.2
254.07851	23.1
256.02042	8.1
272.08893	91.9
293.86179	1.5
306.07748	1.6
379.13235	2.6
407.12894	5.5
435.12192	8.9
441.11804	2.3
469.11185	100.0
470.11526	4.4
630.32172	1.7
742.20563	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	743.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13226	0.5
57.26948	0.7
57.27176	0.6
59.01246	4.2
59.72279	0.6
68.99680	1.3
71.01247	4.3
72.99167	1.6
75.00753	0.8
81.03301	0.7
85.02816	6.4
85.06222	0.6
87.00730	2.7
91.72736	1.6
93.03300	1.1
95.01243	4.2
95.04892	1.8
96.95850	0.7
97.02814	1.2
99.00741	7.4
108.02017	0.7
112.97107	0.6
113.02323	5.1
115.00227	1.4
121.02824	41.3
122.03607	1.7
123.04388	100.0
124.04839	0.8
139.00238	2.2
157.01332	1.3
162.39294	0.6
175.02390	1.8
245.08183	19.4
266.59213	0.7
321.08432	0.9
359.11490	1.8
363.31052	0.7
421.11496	4.4
431.11221	1.2
505.17371	2.2
549.16333	1.3
567.17230	43.3
568.17468	2.0
652.12048	0.8
743.20502	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	743.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.4
59.01229	5.1
60.73412	1.4
65.41813	1.3
66.43929	1.3
68.99668	2.2
71.01239	7.9
72.99144	2.4
81.03309	13.6
81.98584	1.3
85.02797	8.9
87.00724	3.7
88.00022	1.2
95.01248	3.8
96.95889	2.8
97.02812	1.4
99.00726	7.7
111.53371	1.3
113.02320	9.5
115.00205	2.2
121.02823	5.5
122.03603	4.6
123.04387	100.0
138.05531	1.9
139.00299	2.2
147.04387	2.6
203.28198	1.8
245.08165	35.1
251.42578	1.6
269.07971	2.1
292.39124	1.6
321.08414	1.6
333.12320	1.6
340.40796	1.6
359.11569	2.7
421.11530	6.2
461.44980	2.4
490.16299	1.6
505.17267	7.6
567.17249	49.9
568.17291	2.0
743.20630	33.7
756.58429	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	744.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55573	0.7
58.02840	5.7
59.01227	0.8
74.02327	11.7
74.02727	1.5
82.02825	1.3
86.02351	5.5
86.05956	1.8
87.05485	1.8
93.03313	1.1
97.03940	3.6
99.05495	10.8
101.07024	1.6
102.05490	1.7
109.07629	0.9
122.03647	2.2
123.00786	1.2
123.05567	1.2
128.03406	36.7
135.05542	2.7
139.99263	1.5
141.06619	1.6
143.04506	53.2
144.04858	1.3
145.06075	2.0
146.04460	4.7
149.13748	0.9
153.06627	1.4
166.09836	1.5
167.04558	2.2
167.98816	1.2
168.99600	1.3
179.04550	8.7
181.06308	2.3
185.05606	2.2
192.07755	1.2
197.05721	1.9
210.08786	8.2
224.04785	1.2
227.07089	1.2
254.07800	18.6
272.08902	100.0
273.09348	1.3
306.07834	1.2
348.06064	1.1
383.08234	1.1
409.14365	2.1
437.13947	11.9
471.12741	48.6
472.13251	2.2
503.79016	0.9
566.42133	1.2
586.31598	1.1
742.69922	1.1
744.22510	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	744.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	4.5
60.62111	2.6
71.83421	3.0
74.02327	14.0
78.90297	2.7
86.02350	3.8
91.73035	3.0
96.95836	3.2
99.05505	15.1
121.02812	6.2
122.05878	3.4
128.03397	42.2
134.53134	3.2
135.05466	4.2
136.07593	8.9
142.68523	3.5
143.04509	56.1
146.04456	6.1
179.04581	8.4
192.66966	3.6
197.05875	4.5
210.08711	5.4
254.07799	20.0
272.08896	100.0
284.00784	3.7
398.15384	4.8
471.12656	40.7
510.78885	3.8
547.23492	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	744.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84221	0.9
74.02333	1.6
75.95073	1.0
83.01235	1.2
96.53886	0.9
96.95863	1.3
99.05508	2.5
99.36987	1.0
110.06009	1.1
119.04857	5.1
128.03398	10.9
131.04849	1.0
136.85774	1.2
143.04494	15.5
179.04536	2.4
197.06018	2.6
208.05267	1.2
210.08736	2.4
211.03902	5.4
211.07475	1.1
212.04762	13.9
213.05507	15.8
224.04706	5.0
225.05530	41.4
226.05901	1.0
254.07845	3.9
272.08890	31.0
272.11783	1.9
317.08279	7.4
318.09091	1.6
326.38724	1.1
329.35645	1.2
346.08661	2.1
403.99100	1.3
419.12939	2.0
437.13989	31.3
438.14743	6.2
471.12714	100.0
472.13110	2.4
507.18564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52319	1.8
59.01244	11.9
71.01242	10.6
73.46557	1.9
75.00707	2.4
82.93755	1.8
85.02804	16.5
87.00713	8.5
93.03344	2.6
95.01255	3.5
97.02792	2.9
99.00716	2.7
101.02313	2.1
108.02024	11.2
113.02299	15.1
121.02828	31.1
122.03623	13.0
123.04391	100.0
135.04489	2.0
175.02383	7.3
203.63934	2.1
206.87027	2.5
243.06552	4.8
245.08174	49.3
314.07886	2.2
542.75714	3.1
569.18665	11.9
745.22070	73.5
746.22668	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	745.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82082	1.2
53.50074	1.1
59.01250	2.5
69.55235	1.3
79.60618	1.3
82.02856	2.5
86.94663	1.4
94.02840	28.2
96.04429	1.7
96.95892	2.3
108.04464	6.2
110.06013	2.1
116.04937	1.7
120.04416	59.3
121.05310	2.6
122.05987	6.6
124.07536	10.0
124.61591	1.3
130.02907	1.8
131.03685	1.8
132.04416	10.1
136.03979	2.3
136.07555	72.8
137.07932	2.4
138.05482	24.2
148.03989	3.1
150.05498	17.0
151.06351	2.0
158.02356	13.6
160.03926	7.4
162.05481	1.8
164.03506	1.9
164.07079	1.7
165.04201	1.7
168.06563	60.2
174.05722	1.6
176.03426	9.5
180.06599	7.5
190.05020	100.0
191.05714	2.3
192.06552	7.1
204.08951	1.6
210.91425	1.6
217.09717	8.9
231.11430	4.0
233.13065	1.6
235.08835	2.3
239.12012	2.0
259.10950	3.1
263.08389	2.5
267.07889	3.9
273.12546	1.7
275.10529	2.4
276.11203	4.2
277.12054	9.5
279.07767	2.4
281.09467	3.5
282.10056	1.7
283.10962	5.6
291.07919	2.2
293.09512	3.7
295.10959	4.2
299.10562	2.2
301.12292	1.6
303.51654	1.6
309.08740	3.5
311.10489	2.2
312.11246	3.4
313.12106	2.5
317.11667	2.4
319.13232	3.3
323.10297	10.6
325.11938	3.5
327.09940	2.2
329.11136	1.5
335.12796	2.3
336.13449	5.5
339.10016	5.9
341.11447	7.7
353.11563	10.2
355.13098	2.0
356.10370	3.0
357.10925	13.1
357.14716	1.9
369.46445	1.7
371.12482	85.8
372.13199	4.7
373.13971	2.8
464.17694	1.6
480.17801	4.4
510.18781	1.6
537.64551	1.6
540.20099	5.1
552.81134	1.8
599.21790	6.0
617.22949	13.3
619.24463	3.3
631.24219	23.7
631.33887	2.0
641.22156	2.3
649.25275	72.9
650.25208	2.3
659.23761	6.9
664.40765	1.6
673.25458	7.9
677.24658	13.4
679.25970	2.7
691.26343	32.4
691.37994	1.9
692.26190	2.8
709.27264	58.2
710.28113	3.9
756.55804	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03094	6.4
56.54357	6.7
66.02055	6.2
71.43743	6.2
74.28200	9.0
75.42381	7.3
84.13184	8.7
85.15199	8.7
94.02837	88.9
96.95858	9.4
102.49724	7.4
102.97836	8.2
108.04412	23.9
110.06002	8.6
120.04395	75.2
120.08042	62.9
121.40629	7.6
121.77832	7.3
122.05991	25.2
124.03916	30.4
124.07539	8.5
131.87732	8.6
132.04469	12.4
136.03911	42.5
138.05466	68.7
148.03944	42.1
150.05501	27.0
160.03978	9.6
166.04985	29.2
168.06630	19.9
174.01881	16.6
174.05489	11.5
190.05040	14.0
223.08836	16.0
225.10469	10.4
237.10431	16.9
241.09816	12.4
244.23431	8.1
249.06834	7.7
249.10306	12.4
251.08223	11.7
251.11769	12.6
253.09872	8.7
254.06337	8.0
263.08298	23.0
264.09021	30.1
265.09808	16.0
269.04633	30.4
277.09784	16.7
278.10660	14.9
279.08081	13.1
279.11426	94.3
281.12842	8.4
291.11417	29.8
305.09158	10.2
323.10324	21.1
324.10986	10.5
354.12247	10.9
355.09442	62.6
370.15640	20.5
387.12119	14.5
398.15146	33.0
412.16663	14.0
428.16214	9.9
440.16354	24.9
440.82208	8.6
441.16995	16.3
442.14081	9.4
485.15665	11.1
516.17938	10.3
534.18518	16.1
552.20007	30.9
581.20294	12.3
589.22626	14.7
599.21729	23.4
613.22919	15.8
617.22589	46.0
623.21906	17.4
631.24036	49.4
635.23779	22.1
641.22864	74.2
649.25238	92.4
659.23401	58.6
673.25409	63.8
677.24774	19.2
691.26483	100.0
709.27393	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	745.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40949	0.4
55.42019	0.4
55.42287	0.4
55.69742	0.4
59.01234	1.8
64.70838	0.4
73.29964	0.4
80.04912	3.1
94.02830	4.5
94.06490	0.5
96.95893	0.6
98.48194	0.9
98.48743	0.6
104.04900	1.3
104.55765	0.5
105.88367	0.7
105.88995	0.5
106.06463	1.4
108.04425	4.8
118.06501	0.7
120.04418	20.5
122.05993	7.7
132.04437	1.4
134.05995	6.1
136.03931	1.4
136.07552	5.3
138.04439	0.9
138.05457	9.8
146.05983	1.8
148.03920	2.6
148.07535	0.7
150.05501	17.3
152.07083	4.3
158.02379	0.8
160.03925	2.0
160.07593	0.6
162.05513	0.7
168.06566	10.5
173.04724	0.8
174.05493	1.9
175.99820	0.5
180.06581	5.5
186.05630	1.0
186.09097	0.8
188.07089	14.4
190.05122	2.7
201.06592	1.0
202.07300	0.8
202.12393	0.6
209.07375	0.5
211.08711	1.9
213.10356	0.9
215.08195	0.9
223.08841	1.1
224.09660	0.7
225.10269	3.6
227.11816	3.5
228.10275	0.9
229.09778	6.3
230.12059	3.8
231.11588	0.8
235.08752	1.3
236.09612	0.6
237.10347	1.4
238.07436	1.3
239.08304	1.1
239.11824	1.6
241.09930	0.7
243.11334	1.9
245.09325	2.0
245.13025	0.6
249.06935	0.5
249.10344	1.7
250.07419	0.9
251.08130	2.4
251.11987	2.3
252.09067	1.4
253.09795	9.5
254.10556	0.7
255.11333	1.5
257.09384	2.5
261.12466	0.8
263.08319	1.2
264.09003	0.9
265.09827	3.2
266.10583	1.0
267.11359	4.3
273.12448	10.2
274.12930	1.3
275.10458	0.7
276.09149	0.7
277.09821	2.9
278.07050	1.0
278.10373	0.9
279.07776	3.6
279.11365	2.1
280.08527	0.7
281.09244	1.9
291.07715	0.8
292.08444	1.3
293.05936	0.6
293.09344	7.7
294.10184	3.2
295.10886	37.1
296.11227	1.3
299.10364	0.7
305.09317	1.2
307.10941	13.3
308.11670	0.6
309.08826	0.9
311.06964	0.7
311.10352	1.8
317.11493	7.1
318.11624	0.6
321.08725	3.3
323.10260	1.0
335.12524	31.8
336.12891	6.0
337.08740	0.7
337.13043	2.4
338.09131	0.6
339.09866	3.7
340.10468	0.6
341.11328	0.8
351.10114	1.0
356.14230	0.6
371.12698	4.4
372.12881	1.0
384.13242	0.6
384.17453	0.7
390.18427	1.3
400.16650	1.3
416.15952	1.1
428.16052	3.4
430.17749	1.3
434.17221	1.3
440.16125	1.2
446.17249	6.8
456.15967	0.6
458.17191	9.4
472.15189	1.3
474.16895	1.1
476.18399	7.1
484.15088	1.3
490.16452	3.9
502.16238	14.1
520.17297	28.6
521.17432	1.0
522.19159	2.6
534.18829	12.0
535.19495	0.5
552.19940	100.0
553.20190	4.6
603.92627	0.5
647.22113	0.5
649.26440	0.6
707.25897	2.3
709.26428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98848	1.3
55.37371	1.5
58.96455	1.2
78.19588	1.3
78.95762	32.5
84.06565	1.3
91.10622	1.7
108.93343	1.4
121.99986	3.1
140.01044	14.3
152.99481	4.5
167.14388	2.5
183.04956	1.4
184.48170	1.4
193.15840	1.5
196.03709	9.6
211.09779	2.0
222.65929	1.4
223.20683	1.9
249.18604	9.8
255.23299	34.8
267.19662	98.7
275.16519	14.7
293.17599	47.3
311.18683	39.5
313.47861	1.8
360.73065	1.7
387.80484	1.8
430.40512	1.7
447.17343	2.0
452.27557	2.6
467.80237	2.0
490.22153	6.4
534.69427	1.8
746.46228	100.0
747.47504	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	747.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.7
63.02257	0.4
65.00189	0.6
68.28963	0.3
71.01226	1.0
80.11722	0.4
81.76809	0.4
85.02794	1.1
88.64111	0.4
89.33191	0.8
89.33720	0.8
97.02822	0.5
102.69905	0.4
107.01242	1.3
109.91205	0.4
110.43458	0.4
113.02288	0.7
121.02819	0.5
129.90640	0.4
133.02838	7.8
140.90074	0.4
149.02316	1.9
151.00237	5.0
171.04436	0.5
175.03873	2.3
185.05981	0.5
197.06070	0.6
198.03220	0.6
199.03902	2.8
201.01886	0.8
206.69061	0.5
213.05542	0.7
217.05017	1.7
223.24353	0.5
223.67094	0.5
234.12967	0.5
241.05034	1.0
257.04614	0.6
267.02945	0.5
273.59369	0.4
284.03094	0.9
285.04062	100.0
286.04453	3.7
287.04773	0.7
375.21994	0.5
414.73065	0.5
461.07288	33.9
462.07581	1.4
463.07971	0.7
479.08255	1.3
495.58994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.8
60.38675	1.9
62.31935	1.8
64.75591	1.8
64.81023	1.5
67.53231	1.7
71.01234	6.8
81.64463	1.6
83.01223	2.0
85.02820	2.6
86.51952	1.8
87.00754	2.9
90.22279	1.9
91.73226	2.1
96.95870	10.6
97.02814	6.5
97.29250	2.1
99.00696	2.1
107.04881	9.3
113.02268	5.0
115.00268	2.2
121.02805	8.8
122.03584	6.5
143.47186	2.0
143.54372	2.0
155.61496	2.0
181.49295	2.3
182.96327	2.0
227.07079	5.3
229.08688	21.2
250.06100	6.2
251.06885	100.0
252.07358	2.3
269.06729	4.5
271.09824	5.3
293.07758	2.9
294.47772	2.3
325.11133	2.7
343.11795	2.9
365.09900	2.3
427.10309	2.8
536.20410	2.5
573.15948	7.3
591.22943	2.2
731.18103	3.4
749.19092	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	751.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64554	0.4
61.78857	0.4
67.15633	0.4
67.35203	0.4
73.01437	0.4
75.76696	0.4
78.95766	1.1
79.95573	1.4
88.40475	0.5
94.92372	1.1
96.92066	2.7
96.93227	1.0
96.95868	100.0
96.98225	1.4
99.92163	0.4
110.15231	0.6
119.48248	0.5
152.08459	0.5
155.04237	0.5
212.97206	0.4
453.08960	0.7
453.61237	0.5
691.31921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90592	59.8
54.35000	56.7
59.31504	70.0
73.68304	69.2
78.01710	69.6
83.70944	69.9
90.45741	75.2
114.57681	70.6
134.70026	73.2
135.44743	69.9
153.14116	83.0
161.36911	74.7
206.17314	86.1
437.05426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.3
72.99162	1.8
74.99064	1.7
75.00729	100.0
82.02470	0.3
83.04892	0.7
84.30381	0.3
130.87070	0.4
222.06514	0.4
225.16141	0.7
278.27591	0.4
292.03513	0.4
335.58188	0.4
386.57175	0.4
451.33780	0.4
675.49188	0.5
677.49792	7.7
685.93744	0.4
693.48975	3.1
753.51270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80672	4.9
59.01236	7.5
61.98688	11.5
62.44712	4.6
64.68819	5.2
68.37364	5.6
75.00715	6.7
77.66523	4.8
89.20329	5.3
108.04410	11.2
120.04390	45.7
122.05991	11.9
136.03918	11.3
138.05489	22.9
139.86021	5.5
150.05438	29.6
152.07123	7.7
158.36681	7.0
168.06590	17.5
201.10335	16.9
213.10352	9.7
219.60323	7.3
227.08284	8.4
229.09818	25.7
229.13469	8.1
239.12009	9.2
243.11620	8.7
255.11301	8.6
257.12921	7.7
289.11884	7.8
301.12042	25.6
309.12463	6.9
317.11481	18.2
318.11841	13.7
319.12961	88.0
339.09830	17.9
345.58261	6.4
371.12518	14.4
372.13138	8.2
374.15286	14.0
392.16190	24.2
394.29114	7.0
434.17075	14.0
446.17261	7.7
573.23859	11.2
585.23871	7.2
590.00153	8.0
597.23578	15.4
611.79871	6.8
615.24609	32.9
629.22351	10.2
641.22742	41.0
659.23596	100.0
661.25793	10.9
673.25592	25.8
691.26337	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	755.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30958	73.5
65.81312	78.2
68.75669	69.0
77.97183	75.9
267.29684	91.8
411.02176	98.7
463.04703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
61.98695	4.7
67.19130	0.8
80.04906	2.4
82.02832	2.9
94.02841	41.8
94.06467	1.6
96.04427	2.8
100.02039	0.9
104.04922	1.5
108.04416	12.6
110.05968	2.6
120.04418	67.1
120.08046	29.2
122.05994	13.5
132.04442	5.2
134.05972	3.8
136.03922	3.1
137.04703	1.6
138.05490	44.6
146.06114	1.1
148.03944	3.0
149.04793	1.1
150.05495	43.6
150.10405	1.0
152.07066	6.4
155.05858	0.9
158.02390	1.6
160.03909	3.9
161.04747	2.1
162.05460	1.7
164.07072	4.1
166.05052	1.3
168.06577	25.4
168.08008	1.5
174.05611	1.4
176.03491	1.0
190.05075	6.0
197.10847	0.9
200.07115	1.0
210.08034	1.3
211.12375	1.3
213.10266	2.7
215.11938	1.7
221.10681	1.4
223.08704	8.2
224.09569	3.9
225.10303	4.0
229.09877	1.6
231.11519	1.2
235.08768	2.3
235.12337	2.1
236.09604	2.8
237.10304	16.6
238.11145	2.6
239.11874	11.7
243.11412	1.9
249.06659	3.2
249.10332	3.0
250.07245	1.4
251.08221	6.0
251.11949	8.5
252.12770	1.8
253.09882	2.4
253.13509	1.9
259.10837	1.3
261.12476	3.1
262.07492	1.5
263.08289	9.7
263.11514	1.8
264.09055	16.2
265.09802	8.9
265.12650	1.1
265.13379	0.9
267.11435	3.0
271.10974	1.7
275.08249	1.5
276.09073	3.6
277.09833	10.6
278.10553	8.0
279.11392	56.2
280.12213	5.4
281.09433	2.7
281.12939	4.2
283.10809	1.9
285.12570	1.4
290.10480	1.2
291.08105	1.8
291.11377	12.6
292.12122	5.2
293.09335	3.8
293.13013	2.5
295.10843	2.7
301.12097	1.9
303.13483	2.4
305.09198	3.1
309.08728	2.6
309.12119	1.9
311.10428	5.6
311.13889	1.8
312.11337	1.1
317.70490	1.0
318.12454	1.0
321.08905	2.5
322.09503	2.3
323.10416	9.0
324.11063	5.6
325.12134	1.0
334.15604	3.1
335.10358	1.5
336.11313	1.5
339.09906	5.6
341.11456	1.7
342.12292	2.0
342.16177	1.2
344.17731	1.3
352.10864	1.4
356.14008	1.6
358.15842	1.4
368.13864	1.1
370.15707	2.3
371.12457	2.4
372.13266	1.4
372.17517	2.0
373.14200	1.2
374.14893	1.8
375.15988	1.1
376.16653	3.6
384.12741	1.3
384.17181	1.8
388.16803	3.8
396.13431	1.9
397.14221	1.2
398.14951	1.8
400.16806	3.0
401.17398	1.2
402.14478	1.3
412.17010	5.9
413.17752	1.9
414.18219	1.9
416.15854	4.5
418.17731	6.8
419.18613	2.0
420.15387	1.6
428.16064	1.4
430.17776	2.8
431.18454	1.5
434.17053	1.2
440.15970	1.9
441.16516	2.3
442.17816	8.8
446.17300	5.6
457.16397	3.1
458.17349	1.1
459.18060	2.9
460.18710	3.0
469.16364	2.6
474.16656	3.8
474.96243	1.0
475.17389	6.0
480.17734	1.3
486.16901	7.7
487.17685	7.6
504.17728	4.1
506.19455	2.8
518.19794	4.5
536.20447	19.2
537.20728	3.2
539.23132	2.5
557.23889	2.1
571.22192	2.9
581.23877	1.9
583.21698	4.4
599.24524	4.8
601.23273	6.1
603.24835	5.5
613.23621	1.9
615.24603	7.2
625.23230	4.9
631.23901	9.2
633.25690	23.4
634.26294	1.4
643.24182	43.1
644.24908	1.8
645.25500	2.2
657.25604	4.6
661.25244	54.8
662.25513	3.3
663.26862	9.6
675.26801	35.6
676.26306	2.2
693.27844	100.0
694.28082	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	756.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19088	0.8
54.36478	0.7
56.50771	0.7
60.77936	0.8
61.24906	0.8
61.98693	4.9
63.39304	0.8
63.52897	0.7
64.45248	0.8
68.11657	0.8
76.15639	0.9
78.31537	0.8
79.59766	0.9
80.04922	2.6
82.02848	3.0
87.37927	0.9
92.99358	0.9
94.02840	35.6
94.03444	1.8
94.05179	0.9
94.06441	1.4
96.04392	2.5
97.73931	0.9
102.31806	0.8
104.04945	1.9
105.05676	0.9
106.06461	1.3
107.03569	1.4
107.38030	0.8
108.04416	9.9
110.05951	2.6
111.75857	0.8
115.12141	0.9
120.04420	65.6
120.08063	26.6
122.05991	12.4
132.04456	4.2
133.54477	0.9
134.06007	3.0
136.03937	3.9
138.05486	41.5
148.03922	2.3
149.14984	0.9
150.05493	40.8
150.06706	2.4
151.05894	1.0
152.07100	5.9
158.02313	1.1
160.03947	3.1
161.28957	0.9
162.05409	1.8
164.07063	3.9
166.05005	1.6
168.06560	25.9
172.07533	1.0
174.05490	2.4
190.05043	7.4
211.08635	2.4
213.10353	2.2
215.11772	1.3
217.13445	1.2
218.63290	1.1
221.10765	1.9
223.08734	7.0
224.09485	4.2
225.10342	3.7
235.08719	2.1
235.12439	2.4
236.09587	2.5
237.10304	14.2
238.11102	4.2
239.11827	12.2
243.11333	1.6
249.06726	3.1
249.10330	4.2
250.07452	1.7
251.08257	5.1
251.11926	8.2
253.09717	2.3
253.13503	1.6
259.11044	1.2
261.10147	1.6
261.12518	2.9
262.07492	1.8
263.08304	9.3
263.11783	2.1
264.09024	15.2
265.09875	7.2
267.11465	2.7
271.10999	1.7
275.08435	1.4
276.09198	4.3
277.09775	10.6
278.10544	8.4
279.11395	52.9
280.12000	4.8
281.09232	3.8
281.12888	3.9
283.10956	2.3
285.12515	1.1
289.09894	1.1
290.10422	1.5
291.11380	11.1
292.12283	4.9
293.09280	3.3
293.12723	2.2
295.10934	1.3
296.07965	1.1
296.11429	1.3
303.13538	1.5
305.09406	2.5
307.07111	1.0
309.08911	2.4
311.10394	4.9
311.13931	2.2
321.08813	2.9
322.09662	1.8
323.10410	10.9
324.11154	4.5
325.12161	1.0
332.17911	1.3
334.15671	3.4
335.10471	1.4
339.09818	5.3
341.11542	2.2
342.12524	2.0
353.11160	1.2
354.12439	1.3
355.13245	1.4
356.14020	2.9
357.14929	2.1
358.15646	1.6
370.15701	3.2
371.12411	2.5
372.17343	1.7
374.14896	1.3
376.16626	4.9
384.17606	2.2
386.14987	1.4
388.16724	4.2
396.13715	1.8
397.14117	1.6
398.14828	1.5
400.16769	4.4
401.17258	1.2
402.18643	1.2
412.16840	4.6
413.17468	2.7
416.16022	2.9
418.17926	6.2
425.17670	1.0
428.16284	1.2
429.16943	1.5
430.17764	4.1
434.17276	2.2
441.16953	1.4
442.18030	7.1
443.18195	1.5
445.16467	1.1
446.17261	4.6
447.17963	2.5
457.16525	3.3
458.17212	1.6
459.18094	2.3
460.18784	3.7
464.18073	1.9
474.16428	4.7
475.17526	6.8
486.16718	7.9
487.17581	8.6
504.17825	3.6
506.19354	2.5
518.19476	5.5
527.22638	1.7
536.20410	22.8
537.21033	1.9
539.22949	3.4
557.24139	1.7
569.24091	1.2
571.21741	2.3
581.24066	1.9
583.21576	4.3
599.25488	5.8
601.23132	7.2
603.24579	4.2
615.24652	6.2
625.22797	5.8
631.24188	9.0
633.25751	21.6
634.26093	1.3
643.24164	45.6
644.24530	2.6
645.25330	1.9
657.25684	4.4
661.25201	55.4
662.25592	3.4
663.27094	8.7
675.26801	38.0
676.27051	2.3
693.27856	100.0
694.28320	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	756.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.2
80.04912	4.6
82.45741	1.2
84.27904	1.2
94.02842	11.0
95.05542	1.3
95.56672	1.2
96.95865	1.3
99.04270	1.7
100.33685	1.4
104.04911	2.1
106.06477	5.3
110.11107	1.3
122.05994	11.0
132.04529	1.9
134.05992	27.7
136.07530	9.5
138.05470	2.8
142.06613	1.5
148.03990	3.7
148.07637	1.9
152.07050	26.8
160.03935	1.5
169.44112	1.7
174.05521	2.1
180.06596	4.4
188.07137	16.2
225.10333	7.0
227.11880	4.8
245.12730	1.6
249.01753	1.7
249.10280	1.8
251.08122	3.0
251.11884	2.9
252.09181	1.9
253.09842	9.5
264.09061	3.2
265.09839	4.2
267.11432	6.0
277.09848	2.7
279.07962	3.0
279.11462	3.3
291.07843	2.2
292.08578	2.3
293.09317	11.6
294.10254	3.3
295.10880	39.2
295.14072	2.9
305.09326	5.1
307.10922	15.5
339.09912	2.5
418.17578	2.6
430.17804	7.6
442.17709	11.8
460.18948	11.5
468.15979	2.1
474.16760	6.1
486.16550	13.0
504.17834	48.4
505.18539	1.7
506.19217	3.3
518.19580	8.7
536.20416	100.0
537.20892	4.0
661.24988	3.8
679.13770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	11.9
59.01232	1.1
64.26826	0.4
66.14697	0.4
70.18248	0.4
70.36048	0.7
70.36372	0.4
71.01232	0.9
72.16797	0.4
80.04111	0.4
99.03732	0.6
99.04372	6.9
101.02301	4.8
113.02359	0.5
125.02317	6.8
161.04462	0.6
165.73257	0.4
184.59248	0.4
223.25595	0.4
228.04294	3.1
229.05005	6.5
229.07103	0.6
242.05876	1.1
243.06613	21.1
244.07368	5.3
257.08221	1.7
258.09109	0.5
259.06281	0.8
259.09659	0.9
274.08493	33.6
275.09073	1.1
289.10834	100.0
290.11111	1.5
361.53882	0.4
393.35709	0.4
402.91083	0.6
419.80762	0.4
433.15115	1.4
451.16138	6.6
493.17239	1.3
522.05414	0.5
533.20715	0.9
757.25476	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33155	69.2
80.77039	79.3
85.36556	72.7
90.34073	73.7
91.95119	81.0
98.14540	79.1
197.19266	90.8
236.74670	84.1
293.00754	100.0
420.89401	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	760.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64990	0.8
58.02840	5.3
74.02327	9.9
77.65411	1.1
81.11559	1.0
82.02825	1.4
85.67583	1.1
86.02338	4.0
86.05984	1.1
87.05497	2.1
99.05492	10.4
101.07042	1.4
101.58575	1.4
109.02853	1.8
109.07587	1.3
125.85485	1.1
128.03409	35.5
135.05571	2.4
136.01567	2.3
137.00502	1.1
137.02328	7.8
141.06575	2.1
143.04503	46.7
146.04488	4.0
153.00043	2.8
154.00798	1.5
166.09763	1.4
167.04630	1.3
167.08131	1.9
179.04518	8.4
184.76036	1.3
185.05672	2.3
190.66690	1.1
197.05812	3.2
210.08801	9.7
224.04767	2.8
225.05565	3.1
226.06395	1.8
227.07140	3.4
241.05148	4.4
243.04755	1.8
254.07841	19.7
257.02725	2.0
257.21146	1.2
258.03485	2.1
272.08911	100.0
306.07993	1.4
401.52493	1.3
453.13312	6.8
487.12213	29.7
565.49176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09420	0.4
53.74612	0.5
55.67566	0.5
59.85059	0.5
62.50548	0.5
74.02670	0.5
78.90706	0.5
79.95593	2.2
88.93948	0.5
96.95868	100.0
101.92474	0.5
109.08913	0.5
121.02866	0.5
151.84474	0.5
177.36983	0.5
225.95102	0.7
285.04401	0.8
305.11810	0.7
374.04529	0.6
451.08789	1.0
477.06580	0.8
495.07642	1.0
501.12009	1.2
539.06671	4.8
657.63635	0.6
663.17145	1.0
701.12122	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	761.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78413	0.8
75.32176	0.8
79.95564	1.5
96.93514	1.6
96.95869	100.0
96.98513	1.3
119.60793	0.9
123.00674	1.0
201.71323	1.0
210.41005	0.9
237.41838	1.0
295.77234	1.0
394.88376	1.0
488.00891	1.0
495.07468	1.4
501.11813	3.0
539.06812	4.4
581.82520	1.2
631.13281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23741	0.6
57.03312	0.5
58.22134	0.6
59.01234	6.6
60.00171	0.6
67.46316	1.4
67.46667	1.4
71.01217	3.0
73.02773	0.7
76.48428	0.7
83.01152	0.6
85.02790	1.7
87.00720	0.8
89.02302	4.3
101.02292	4.3
105.24037	0.8
113.02287	2.0
119.03359	0.8
161.04407	1.3
179.14297	0.8
195.13835	9.5
196.14630	1.1
205.12326	1.1
205.19597	1.2
223.13411	6.1
228.13564	0.9
235.08246	3.2
247.16956	1.3
249.18585	100.0
250.18852	2.5
253.07185	0.8
253.09283	18.7
256.13208	2.1
265.18115	2.6
275.20190	12.5
277.21661	5.4
293.21234	99.9
294.21548	1.8
548.94110	1.0
571.50305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11726	2.4
59.01236	7.3
68.69878	2.2
71.01237	3.2
78.95755	3.2
94.92065	2.5
101.02300	3.9
113.02317	3.6
120.23438	3.1
121.10207	3.2
135.14011	2.5
171.10138	9.0
183.13881	4.2
235.17014	16.7
249.18585	100.0
253.09282	10.3
275.20184	41.5
293.21240	55.1
662.62067	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	763.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35504	0.9
57.03314	3.5
59.01235	3.9
59.87156	1.0
67.27988	1.2
71.01235	1.4
71.08743	1.1
73.02803	1.7
82.02824	2.1
84.04408	1.6
86.02330	11.2
86.85191	1.0
87.07572	1.2
89.02303	1.0
96.04385	1.7
96.95885	2.5
97.01035	1.1
99.04367	4.1
99.69006	1.1
101.02310	3.8
102.98483	1.4
120.01112	10.0
127.05035	3.4
127.08654	11.3
128.03409	100.0
132.18874	1.4
144.16051	1.3
149.02399	1.4
150.57317	1.2
151.49211	1.2
153.06573	5.7
161.04407	1.7
171.07660	31.2
171.09019	2.1
179.04561	2.3
182.54980	1.3
215.06676	3.7
231.04482	8.5
248.94557	1.3
249.05496	79.4
282.09064	1.4
297.11301	2.3
361.03052	1.3
368.40042	1.4
394.38239	1.8
513.23444	7.9
763.30096	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	764.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16008	3.9
62.72837	4.1
71.95143	4.4
82.02824	4.9
92.04919	9.1
94.02843	63.1
96.04403	6.6
96.95856	10.2
106.06457	6.4
108.04440	7.4
108.50348	4.4
120.08059	49.2
122.05956	5.1
135.09149	16.6
138.05463	35.3
142.15605	4.7
147.09169	43.0
148.03944	4.8
161.73303	4.6
165.10266	30.2
177.10222	43.4
190.04977	7.6
194.31129	4.8
195.11342	6.6
202.58786	5.3
224.09425	9.4
225.10338	8.2
237.10387	13.2
239.11981	14.6
245.69670	5.4
249.10316	6.0
251.11879	12.5
263.08224	13.1
264.09158	17.2
265.09738	8.0
265.13666	5.3
277.09827	16.5
278.10593	6.3
279.11395	55.8
280.11902	6.0
291.11237	21.9
292.12173	14.1
293.12927	13.4
317.16342	5.0
323.10333	9.2
324.11014	7.1
384.17413	7.3
385.55023	5.4
428.55093	5.7
429.17084	6.5
457.22031	6.2
469.22748	6.9
487.23587	6.5
501.21533	5.6
513.21448	10.1
514.22247	12.9
531.22321	7.5
533.24078	8.0
563.25275	38.5
566.27661	9.4
598.27319	8.6
626.29388	7.4
628.27789	18.9
640.28571	6.5
652.27692	7.7
658.28625	28.9
660.30859	24.0
670.28833	81.6
671.29486	7.5
688.29962	100.0
690.31769	6.3
702.31628	25.3
720.32635	49.4
798.40521	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	766.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
65.00187	4.3
66.86485	0.7
71.01247	1.2
72.91805	0.6
73.66448	0.7
76.83904	0.7
83.01225	2.9
85.02792	1.7
85.18153	0.7
87.00748	0.8
97.64030	1.2
97.64571	0.9
107.01245	10.1
113.02290	1.8
114.49414	0.6
117.01760	0.8
128.03418	1.1
137.00462	1.0
143.04431	1.6
149.02365	0.7
151.00252	30.8
163.99263	2.9
165.00053	14.7
193.75465	0.7
210.08667	1.0
211.03986	1.1
229.03163	0.9
230.00266	1.3
231.01149	2.9
255.03116	5.4
257.04547	3.0
272.09033	2.1
273.02280	8.9
283.02451	7.3
284.03244	3.7
285.03949	1.0
306.07632	1.6
317.01257	100.0
318.01706	1.9
459.05496	1.0
493.04483	59.5
494.04285	1.1
584.70337	1.0
590.11023	2.6
637.09705	1.1
766.14624	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	766.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99516	0.6
58.02836	0.6
63.41610	0.9
72.00764	4.0
73.15409	0.7
74.02323	1.1
86.96859	1.2
95.01280	0.9
99.05499	1.1
100.03899	6.0
102.05486	2.4
109.02862	0.9
109.03893	0.8
121.02824	5.8
122.01852	1.4
123.00799	1.0
123.99841	1.3
125.03433	3.2
126.04224	1.9
127.05002	1.7
128.03419	12.3
129.32765	0.8
136.01543	2.0
137.00574	1.3
137.07094	0.9
138.98465	1.0
139.99303	0.7
140.03191	2.7
142.04736	3.0
143.04535	3.4
150.01625	15.7
151.99243	1.6
152.03203	1.9
152.99953	0.7
153.06590	1.7
166.04793	2.8
167.04259	3.5
168.01595	3.4
168.02733	3.3
175.04767	6.3
179.04532	1.6
181.05859	19.7
193.05933	4.1
197.06027	1.8
205.06006	1.0
207.03844	2.0
207.07497	2.5
209.05721	1.2
212.01814	1.1
219.03766	5.2
221.05441	37.4
223.06944	4.7
224.04727	0.9
225.03595	2.9
232.07028	2.7
238.07994	3.9
242.05771	1.0
250.08165	12.6
258.03470	1.4
276.05933	6.4
292.12354	0.8
294.07123	100.0
295.07440	0.8
328.05875	25.6
377.65121	0.8
437.13870	2.2
471.12741	19.5
493.10880	2.1
637.16656	2.9
691.16949	1.5
766.20447	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19469	3.4
55.55153	3.4
60.99161	5.3
67.55917	4.0
87.17678	4.6
88.98650	39.4
90.70598	3.4
92.99095	3.6
94.02830	24.2
97.39814	3.9
106.06497	4.7
118.65348	3.4
120.08064	19.6
122.05988	22.9
132.96622	4.5
134.06004	52.4
136.07559	11.1
136.43245	4.2
138.05502	20.2
150.05515	5.6
152.07076	49.8
172.48099	3.7
195.03278	5.0
223.09007	5.6
237.10417	10.2
239.11977	7.9
240.13242	4.6
248.41031	4.7
249.10222	6.7
251.11867	7.6
263.08368	6.6
264.09076	11.6
277.09872	13.2
278.10605	12.1
279.11450	38.2
281.12946	5.5
291.11517	13.7
309.38181	4.4
323.10388	11.7
355.13101	5.5
402.18033	5.8
404.06882	4.7
426.18518	9.8
459.17905	7.1
470.17184	6.8
471.17825	16.1
520.20758	27.2
583.26129	9.0
615.24396	10.0
617.25903	6.9
627.24518	35.8
645.25732	75.9
647.27454	12.1
659.27563	34.6
677.28314	100.0
678.28448	9.3
731.20099	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	767.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32709	57.9
58.41800	65.1
59.79248	56.5
65.41331	65.7
80.17534	76.4
91.72857	83.9
131.38211	69.8
137.54007	85.3
155.96153	88.4
177.42343	74.4
188.48769	76.9
240.48383	80.3
277.94254	92.5
495.61029	85.7
712.73828	97.3
739.15192	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	767.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98864	0.8
60.99170	12.3
83.04872	0.9
87.00740	4.1
88.00264	3.5
88.01073	0.5
88.03887	2.0
88.96630	1.3
88.98660	100.0
89.00996	1.2
89.02299	11.8
112.01517	0.4
156.82460	0.4
185.25163	0.4
225.15999	0.5
266.20987	0.5
342.65204	0.5
370.84714	0.5
423.71713	0.5
536.28082	0.5
677.49799	2.2
678.49780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84007	5.0
60.81572	5.0
62.09972	5.6
80.04920	5.2
88.48978	5.0
91.53432	4.8
94.02847	19.2
96.95866	15.5
106.06458	6.1
110.57142	5.3
122.06002	21.4
134.05978	30.8
136.07545	8.0
141.40521	5.3
152.07103	36.0
155.06207	5.9
229.09814	12.2
237.10533	7.9
239.11919	9.1
265.09769	11.8
293.09399	18.8
294.10028	6.6
295.11078	13.4
301.12067	10.4
319.13037	31.3
337.08383	16.7
416.16159	8.3
486.16266	12.4
550.22150	19.6
613.26270	8.7
643.24902	11.3
645.25952	10.9
657.25928	36.6
675.26770	100.0
689.28290	14.3
707.29315	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96976	1.8
62.49734	1.9
80.04891	3.1
80.63276	2.0
94.02841	7.8
94.35450	2.3
103.80221	2.4
104.04919	2.6
108.04427	3.9
113.77360	3.0
120.04401	23.0
122.05988	9.9
129.29849	2.0
134.06042	4.7
136.07593	3.5
138.05469	11.4
148.03854	4.5
150.05557	11.4
152.07080	9.8
168.06598	7.4
170.55728	2.5
174.05396	2.9
180.06606	5.7
188.07176	17.0
211.08749	5.1
225.10352	4.8
227.11917	6.0
232.10298	2.6
248.09427	3.1
251.08255	3.3
253.09889	12.1
265.09869	5.6
267.11545	4.1
274.07755	2.8
277.09793	3.6
279.07907	4.3
281.09326	8.8
293.09290	14.7
294.09891	4.4
295.10861	38.5
307.10892	12.5
321.08899	4.3
339.09753	3.5
419.21301	2.7
428.15558	4.3
430.18042	3.4
446.17197	12.8
458.17191	10.1
476.18378	7.1
490.16470	4.2
502.16180	13.9
520.17242	35.4
522.18689	15.9
534.19122	11.9
552.19983	100.0
574.55084	2.6
709.28235	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	773.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68109	0.1
77.32095	0.1
79.95594	1.8
96.93176	1.3
96.95869	100.0
96.98199	1.3
97.95832	0.2
122.05972	0.2
134.05978	0.4
137.67497	0.2
150.05534	0.2
151.69154	0.1
152.07114	0.4
197.66660	0.1
203.85477	0.1
229.09795	0.2
301.11920	0.3
319.13095	0.6
556.14209	0.2
567.72937	0.2
581.24158	0.2
613.22998	0.2
643.24396	0.8
657.26160	0.2
663.17786	0.2
675.26581	1.5
695.20319	0.4
713.21356	0.9
773.23688	0.3
791.20966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12595	0.3
79.95584	1.9
96.95870	100.0
96.98383	1.6
123.86488	0.5
134.06000	0.5
197.24794	0.5
265.09903	0.5
319.13174	0.8
594.32617	0.5
625.22864	0.5
643.24329	1.1
657.25330	0.8
675.27283	2.1
683.43121	0.6
773.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01216	0.2
64.03474	0.2
78.69981	0.2
79.95592	2.0
80.04903	0.2
87.68552	0.2
96.93575	1.1
96.95869	100.0
96.98522	1.2
120.14210	0.2
127.91248	0.2
134.05992	0.2
152.07033	0.6
190.04974	0.2
201.10339	0.3
227.11711	0.2
239.12001	0.3
245.13033	0.2
255.11353	0.2
256.84576	0.2
319.13098	1.4
323.10382	0.3
374.14932	0.3
392.16275	0.4
398.92773	0.2
401.13654	0.2
432.15732	0.3
462.50665	0.2
509.41232	0.2
551.23956	0.2
599.25525	0.5
625.22797	0.4
643.24341	2.0
657.26025	0.3
675.26880	2.3
695.20807	0.3
713.21863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	4.8
74.02325	10.1
81.04443	1.0
82.02856	1.0
86.02319	6.0
86.05983	1.3
87.05511	3.1
91.73344	0.8
96.28421	0.8
97.03951	1.0
99.05503	13.9
101.07073	1.7
102.05465	1.1
109.03934	1.3
109.07568	1.0
111.05515	1.4
112.03919	2.0
121.02829	2.2
123.05527	1.9
128.03404	41.8
132.62413	0.9
135.05560	2.5
137.02303	1.1
137.07079	1.2
138.03136	1.3
139.99315	0.9
141.06589	1.6
143.04506	56.7
145.06126	1.9
146.04460	5.8
153.00069	1.0
153.06622	1.1
166.09749	1.8
167.04532	1.1
167.98711	1.3
168.99640	1.0
179.04552	10.5
181.06113	1.5
185.05574	2.0
186.97189	1.0
192.07790	0.9
195.04570	1.2
197.05957	1.9
202.04614	0.9
210.08778	11.7
224.04800	3.0
225.05522	7.4
226.06349	2.3
227.07182	2.8
241.05162	1.2
254.07820	21.0
258.03674	1.2
272.08896	100.0
273.09274	1.0
306.07742	1.3
331.09744	1.3
347.09238	1.4
379.06851	1.2
380.07184	1.5
399.97028	0.9
436.42194	0.9
453.13388	9.6
454.14316	1.8
467.15231	1.5
486.11560	3.5
501.13754	23.2
520.67725	0.9
774.23871	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55853	0.3
56.86387	0.3
68.78136	0.3
78.83147	0.3
79.95585	2.4
96.93036	0.7
96.95869	100.0
96.98320	1.5
99.01840	0.3
122.06001	0.4
129.12871	0.3
134.05968	0.8
138.05487	0.4
150.49899	0.3
152.07039	1.0
154.06091	0.4
207.54532	0.3
224.48479	0.3
237.10500	0.7
241.23978	0.4
279.11523	0.4
284.03732	0.4
400.22604	0.9
558.17731	0.4
677.28662	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	775.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95595	1.5
96.93410	1.5
96.95868	100.0
120.08101	0.4
122.05968	0.4
138.05516	0.3
140.41718	0.3
149.27002	0.3
152.07062	1.1
190.45564	0.3
279.11588	0.4
284.98123	0.3
468.94479	0.3
482.13763	0.5
486.13467	0.3
499.05679	0.4
558.15594	0.6
645.25439	0.7
677.28418	1.0
715.23267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25675	0.1
67.16712	0.1
79.95589	2.2
90.28889	0.1
94.02837	0.3
96.93513	1.4
96.95869	100.0
96.98586	1.2
98.95433	0.2
115.90675	0.1
120.08067	0.3
122.06051	0.2
134.05980	0.5
136.07501	0.1
138.05434	0.3
152.07050	0.5
168.06580	0.1
177.16524	0.1
239.11899	0.2
251.11864	0.1
264.09045	0.2
277.09793	0.1
278.10532	0.1
279.11328	0.4
291.11597	0.1
383.30374	0.1
471.18109	0.2
520.20978	0.3
558.15643	0.4
627.25665	0.2
645.26147	0.9
659.27258	0.3
677.28400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82634	0.1
78.95760	1.7
79.37560	0.1
79.95589	2.0
95.97470	0.1
96.95866	100.0
96.96864	2.8
96.98309	1.5
97.95802	0.1
98.93230	0.1
113.63535	0.1
142.67854	0.1
309.44046	0.1
534.11938	0.1
775.46637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
57.09515	0.6
58.38507	0.6
59.01239	5.4
59.38585	0.6
69.66620	1.6
69.66961	0.8
71.01251	3.2
85.02802	1.2
89.02298	3.7
101.02290	3.8
111.08066	0.8
113.02290	1.4
132.93379	0.6
143.74269	0.7
149.09616	0.7
155.76105	0.8
161.04459	1.2
167.10683	12.4
177.09142	0.9
179.05595	0.9
195.10228	2.9
195.13817	9.1
203.18126	1.2
205.12259	1.1
223.13396	6.2
235.08029	1.6
247.16924	3.9
253.09282	21.4
256.13141	1.7
265.18106	73.2
275.20154	6.6
293.21249	100.0
294.21637	2.9
492.22202	1.2
501.27020	1.7
541.38934	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	777.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	10.7
71.01247	4.2
71.04879	1.2
71.97881	1.1
73.02808	1.1
85.02783	1.9
89.02278	5.6
97.06461	1.8
101.02295	6.5
105.97133	1.2
111.08038	2.7
113.02335	3.9
119.03365	1.4
119.08543	1.4
129.04237	1.2
137.09621	1.8
155.10704	1.9
161.04446	1.7
169.12158	1.1
171.10208	9.2
171.49010	1.2
179.05539	1.7
181.12199	1.1
185.11763	3.8
195.13795	2.4
197.11761	12.7
209.15442	13.0
211.13350	2.7
223.16977	4.5
225.15025	6.0
229.19553	2.0
231.13846	1.6
233.15488	4.9
235.08253	3.6
249.18593	100.0
251.16473	8.9
253.09276	23.6
263.20056	1.4
273.18625	6.3
276.65005	1.3
277.21777	9.6
281.17624	2.0
291.19678	25.7
309.20740	53.9
384.36826	1.3
485.23950	1.3
671.46460	1.2
766.78595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.48
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32198	0.8
57.03307	0.9
59.01242	8.0
67.24036	1.0
69.19217	1.1
71.01243	5.3
73.02787	0.8
74.99860	1.2
76.77853	0.8
78.78340	0.7
81.03326	1.0
85.02821	1.8
89.02303	4.9
91.72856	4.3
97.02760	0.9
101.02306	4.0
113.02302	2.4
119.03385	1.5
125.09570	1.5
141.12646	0.9
149.14677	0.9
153.12737	1.2
154.47049	0.9
161.04468	1.3
163.11180	3.6
165.12764	6.8
179.14308	2.6
181.12256	1.2
182.60652	1.0
193.15941	2.1
197.11720	1.1
202.35237	0.9
209.11842	2.5
223.13396	3.0
247.20636	8.5
249.18593	90.5
250.19032	1.1
253.09273	13.9
263.38519	1.1
273.18610	2.9
291.19681	100.0
292.19788	1.5
309.20737	99.2
354.20935	1.4
774.70392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.48
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80868	1.2
55.07865	1.0
59.01242	22.2
61.98708	1.3
63.25212	1.2
68.90074	1.3
71.95679	1.2
74.19737	1.2
80.29513	1.2
92.71530	1.2
96.32238	1.1
141.85225	1.4
234.17072	1.4
235.08417	2.3
249.18584	100.0
250.19083	1.5
253.09332	5.3
255.23424	2.8
351.60767	1.4
390.83133	1.6
600.09595	1.6
700.72455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.9
69.19218	1.2
69.19556	0.5
70.43262	0.5
71.01248	4.6
73.02802	1.2
74.99880	1.1
75.00252	0.6
77.86085	0.5
78.95744	0.7
83.04887	0.6
85.02798	1.3
87.00750	0.8
89.02297	4.8
97.06464	1.5
101.02305	4.2
106.03898	0.6
113.02322	2.4
113.09583	1.7
115.07518	2.2
119.03368	0.9
141.09120	1.4
156.52832	0.7
161.04445	1.8
163.11140	0.7
165.12785	3.9
167.14346	1.2
179.05528	1.3
181.12288	2.8
193.12302	1.4
193.15910	1.2
195.13789	2.9
211.13373	2.4
213.14967	1.2
221.11699	0.7
221.15337	2.9
229.14455	0.7
231.17506	0.8
235.08084	1.1
240.13628	1.0
243.41444	0.6
247.20663	3.7
247.51286	0.6
249.18594	58.9
250.18924	0.9
253.09276	9.9
265.21729	0.9
273.18576	3.2
277.21713	2.3
281.21161	1.6
291.19675	44.3
309.20728	100.0
310.21091	1.6
311.22421	0.9
313.37433	0.7
526.19177	0.9
527.28882	4.6
545.29712	17.5
777.48059	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	779.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64828	49.5
67.76395	58.6
71.13596	57.4
112.67809	83.4
163.93106	70.7
171.95247	77.5
270.14560	89.0
380.07169	86.4
637.46442	86.8
756.72272	100.0
792.10785	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	779.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77820	65.1
71.18138	65.9
87.73604	60.4
151.37675	76.6
186.23822	73.9
529.70477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42444	5.5
68.89490	7.8
78.78921	6.9
91.73400	7.6
94.02837	81.5
96.04388	13.3
98.38632	7.7
106.06489	11.7
108.04403	8.1
120.08053	61.4
121.07543	18.4
122.05968	13.0
132.04393	11.1
133.07547	38.6
135.09245	11.2
138.05440	21.7
145.07576	16.4
151.08661	13.8
161.07169	9.0
163.08693	42.2
174.05598	9.0
176.31206	7.4
181.09743	27.2
193.09676	38.2
223.08684	15.1
227.12086	8.2
237.10303	37.3
239.11946	23.6
263.08270	15.3
264.08966	41.3
265.09839	18.0
277.09824	24.7
279.11435	86.8
280.12170	13.4
281.13077	11.5
291.11426	41.3
292.12289	16.0
293.12848	11.6
323.10138	8.4
324.11078	10.4
332.14050	10.3
356.17905	11.1
513.20807	8.8
529.20966	13.7
530.21741	12.2
547.21478	11.1
561.23621	12.8
579.24371	47.7
582.27264	13.2
614.25592	11.3
626.26410	19.0
642.28735	10.9
644.27698	27.1
646.28809	13.7
656.27344	19.2
658.29620	10.9
668.27216	21.5
672.01202	10.7
674.28308	50.4
676.29730	39.9
686.28357	100.0
688.29376	13.0
704.29443	92.7
706.31952	20.5
718.30963	52.3
736.32080	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	780.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
61.97230	0.8
61.98692	100.0
61.99947	2.0
63.04570	0.1
67.30706	0.1
71.23917	0.2
79.85399	0.1
79.86884	0.1
85.02802	0.1
90.58340	0.1
104.64793	0.1
144.00381	0.1
151.06871	0.1
152.48177	0.1
200.74770	0.1
303.37637	0.2
321.90515	0.2
588.98407	0.2
644.00153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74859	0.2
70.06281	0.2
77.80326	0.2
78.95757	37.0
78.97565	0.7
96.93997	0.9
96.96817	100.0
96.99265	1.5
121.92313	0.3
158.61728	0.3
214.30545	0.2
321.23199	0.3
345.11398	0.5
405.75580	0.2
426.07831	0.2
439.08594	26.9
440.08725	0.5
734.42175	0.3
757.80951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
87.78777	72.5
253.04556	82.4
341.63147	83.2
355.51544	90.7
550.84155	100.0
746.24939	89.7
749.45013	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	781.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	55.0
61.98705	35.4
78.95786	26.2
86.29515	15.6
91.44453	13.9
92.92699	26.1
96.95921	33.3
116.97169	20.1
142.34570	17.9
249.18752	57.0
253.21790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29045	9.9
73.29012	10.2
76.84675	8.2
110.81187	10.1
128.03433	12.3
176.75150	11.6
183.99260	14.0
208.98772	11.3
232.48254	10.5
237.56091	10.3
294.69962	11.0
310.03943	100.0
322.80905	10.5
471.12927	22.6
782.17773	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	783.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
76.50545	75.8
91.72668	87.0
97.80065	88.0
111.89215	80.1
135.08607	85.4
221.34451	85.9
303.14801	92.7
642.83698	97.9
738.49512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20987	0.3
62.96269	0.5
65.53545	0.5
73.81677	0.3
78.93929	1.6
78.95760	100.0
78.97784	1.2
96.94415	1.2
96.96819	77.2
108.95205	0.3
134.04597	7.9
138.97903	1.1
150.97954	1.6
150.98990	0.5
154.17424	0.3
158.92436	9.2
162.97935	4.1
165.81598	0.4
174.97902	0.6
176.93533	0.9
176.99574	0.5
180.98981	11.9
195.00612	2.7
198.06642	0.9
211.00136	0.9
212.08257	2.4
226.38921	0.3
241.07278	3.9
243.08835	0.5
255.08891	5.1
257.95340	0.4
260.95807	0.4
272.95685	2.3
274.97412	0.6
277.65439	0.3
277.84381	0.3
346.05600	25.7
408.01260	2.5
419.07608	0.4
437.08685	30.8
438.08994	0.5
517.05133	1.6
756.63794	0.6
784.15002	10.4
785.15247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59040	0.5
120.02018	2.1
121.02821	100.0
121.06190	1.4
158.89117	0.7
165.01845	1.8
180.05690	1.2
181.06525	2.7
191.03378	2.2
209.04501	57.7
209.12292	0.8
225.05582	1.8
258.64182	0.7
291.71054	0.7
313.07202	5.3
346.54074	0.7
357.06168	1.3
401.08783	10.8
447.15698	2.6
463.12210	0.9
664.78119	0.8
785.17767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25272	5.5
60.10638	4.9
68.99947	5.2
69.88821	5.8
88.39771	5.3
94.02864	20.7
96.95892	14.0
98.95312	5.8
108.04446	13.3
110.33158	5.5
119.09491	6.3
120.04415	51.8
122.06046	8.9
132.68553	5.6
138.05504	12.8
149.67506	6.8
150.05487	32.9
152.07033	11.0
168.06618	19.0
174.05426	7.8
183.07890	8.0
183.41846	6.8
201.10368	8.9
229.09961	11.7
237.10172	7.7
243.11531	6.7
257.12955	8.2
265.09943	10.1
278.07187	12.7
279.07901	11.5
293.09375	19.5
295.10767	9.1
301.12152	12.9
309.12381	10.4
319.13080	49.9
334.50031	6.9
337.08301	17.5
339.09970	14.3
351.10181	7.9
374.15347	14.6
392.16306	16.6
395.20490	7.3
398.52206	8.2
416.16443	12.2
426.65305	7.0
476.18289	7.5
501.15643	13.2
502.16138	8.8
542.69550	7.0
566.21637	27.9
576.63318	7.0
585.23981	9.6
597.23730	9.3
615.25256	10.3
629.24408	7.7
641.23138	12.0
659.23737	14.0
673.25555	56.9
691.26166	100.0
705.28204	18.6
723.28925	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45884	1.4
60.02523	1.5
71.04879	2.3
77.88316	1.6
78.95757	33.5
80.47768	1.4
93.59325	1.7
110.98368	1.7
121.02844	2.6
122.03643	3.2
122.98394	19.8
142.45169	2.0
152.99504	6.0
167.14330	12.7
168.04234	8.0
193.15906	7.2
207.17502	6.8
224.06938	3.7
233.15514	2.1
248.74130	1.6
249.18564	28.6
255.23291	100.0
267.19626	9.2
275.16510	20.1
281.21283	12.1
293.17603	98.8
307.19086	10.3
311.18808	2.9
325.20178	18.7
391.22659	2.7
477.70294	2.3
480.31259	5.8
729.43646	16.1
756.49084	3.4
770.49316	2.4
788.50928	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66009	0.1
67.16959	0.1
72.03519	0.1
79.95596	2.3
80.04895	0.1
83.00526	0.1
96.79783	0.1
96.93401	1.4
96.95869	100.0
96.98696	0.8
112.93605	0.4
113.74567	0.1
120.04422	0.9
120.70534	0.1
122.05962	0.2
138.05533	0.2
150.05548	0.7
163.23897	0.1
168.06548	0.3
190.05066	0.2
201.10225	0.3
213.10318	0.2
229.09798	0.6
229.13498	0.2
255.11488	0.2
281.09421	0.2
293.09317	0.2
301.11978	0.2
319.13013	1.6
339.09976	0.2
371.12430	0.2
374.15128	0.3
392.16202	0.3
416.16434	0.2
433.08310	0.2
615.24805	0.3
629.22937	0.2
641.22583	0.5
659.23621	1.6
660.24988	0.2
661.25787	0.2
673.25409	0.5
691.26361	2.8
711.19873	0.7
729.21222	0.4
789.22760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35424	0.1
79.95594	1.7
91.72602	0.3
96.93393	1.4
96.95869	100.0
96.98605	1.1
98.95463	0.2
116.55372	0.2
118.28764	0.2
122.06020	0.3
129.95149	0.2
133.84727	0.2
134.06009	0.2
136.07562	0.4
150.05519	0.7
152.07068	0.4
190.05048	0.8
229.09871	0.6
230.12016	0.2
245.09294	0.2
273.12445	0.8
295.11139	0.2
317.11499	0.7
335.12503	3.8
355.12979	0.4
553.48999	0.2
623.89923	0.2
691.26782	0.4
822.30414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22454	0.6
67.72038	0.6
79.95582	2.2
91.73350	0.9
96.93434	1.4
96.95872	100.0
97.62872	0.7
100.48772	0.6
107.02038	0.7
119.55242	0.7
122.06002	1.7
138.45058	0.8
166.05051	1.2
195.26826	0.8
274.79520	0.7
279.11404	1.6
423.56689	0.9
572.13531	1.4
631.23761	1.1
656.97253	1.0
659.23602	1.1
691.26459	4.1
756.62640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57707	2.8
64.77053	3.0
72.59840	2.9
80.04940	3.1
96.95869	100.0
105.25548	3.7
106.06444	4.1
108.04420	3.6
108.08134	3.2
117.37525	3.7
121.07592	6.5
122.05957	3.3
124.03993	4.8
133.07602	12.5
135.09154	7.5
136.03906	4.5
145.07588	7.9
147.31004	3.7
148.03961	3.7
150.05475	5.1
194.50221	3.4
201.10326	5.4
213.10268	6.4
214.58968	4.1
222.12659	3.8
229.09787	10.8
239.11903	5.6
255.11316	7.0
285.04126	26.9
286.04355	7.2
301.11890	10.7
319.12994	52.2
374.14832	3.7
416.16254	7.0
432.16306	4.1
440.63669	4.5
461.07031	7.2
651.29901	6.5
669.30493	8.8
670.28497	5.3
683.27966	26.7
695.28351	33.5
713.29449	78.3
721.16022	4.7
727.31573	5.9
745.31561	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	791.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59002	0.1
56.81194	0.1
56.85904	0.1
60.53293	0.1
66.60080	0.1
69.83121	0.1
77.49536	0.1
79.43490	0.1
79.95592	1.9
88.22224	0.1
94.02810	0.3
96.93216	1.4
96.95867	100.0
96.98150	1.2
116.35678	0.2
120.04421	0.7
129.43729	0.1
136.60390	0.2
138.05481	0.3
146.27385	0.2
150.05496	0.3
168.06578	0.4
175.41537	0.2
237.10329	0.2
269.04633	0.2
279.11316	0.4
284.18979	0.2
338.73523	0.2
346.68063	0.2
347.84933	0.2
633.26257	0.3
675.27155	0.5
693.27887	1.8
756.70624	0.2
791.23889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05824	0.1
67.98502	0.1
73.97144	0.2
79.95584	2.0
81.31246	0.2
84.79153	0.2
91.72643	0.3
93.73682	0.2
96.93406	1.5
96.95869	100.0
96.98681	0.9
120.04424	0.3
154.29439	0.2
207.03847	0.1
239.79538	0.2
252.02655	0.2
263.11798	0.2
279.11523	0.2
285.04095	1.0
461.07428	0.5
463.80182	0.2
693.27765	0.9
721.54755	0.2
791.24591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77806	0.1
66.57046	0.2
68.01275	0.2
79.95593	2.2
82.02853	0.2
85.03934	0.4
91.46607	0.2
91.72672	0.3
94.02835	1.7
96.04372	0.2
96.93060	0.9
96.95867	100.0
96.98345	1.5
97.95818	0.3
98.95446	2.7
98.96307	0.3
106.06481	0.2
108.04376	0.2
116.81854	0.2
116.92776	0.3
119.05978	0.3
120.04425	0.3
120.08039	1.3
121.07610	0.9
131.78999	0.2
133.07573	1.3
134.09579	0.2
135.09148	0.7
138.05511	0.9
145.07578	1.0
150.05489	0.3
151.08650	0.6
159.35004	0.2
160.03912	0.3
161.10745	0.5
174.05524	0.2
190.05029	0.4
192.11227	0.3
193.43896	0.2
194.32065	0.2
204.11386	0.5
211.63060	0.2
220.73935	0.2
223.08647	0.3
237.10318	0.7
239.11902	0.4
249.06741	0.2
251.08205	0.3
251.11909	0.4
263.08395	0.5
263.12003	0.3
264.09082	0.8
265.09772	0.5
276.08899	0.3
277.09781	0.8
278.10504	0.5
279.11411	2.8
280.12204	0.3
291.11340	1.0
292.12186	0.7
293.13126	0.4
305.09415	0.4
309.47263	0.2
324.11194	0.4
337.12012	0.2
351.23239	0.2
374.14783	0.2
398.18762	0.2
450.10959	0.2
463.70010	0.2
485.22037	0.4
529.23358	0.4
540.22888	0.3
541.23694	0.6
558.23651	0.4
590.26160	1.0
596.40826	0.2
637.28528	0.3
652.54456	0.2
653.30914	0.3
655.29456	0.3
661.25476	0.3
672.30902	0.2
675.25958	0.2
679.29309	0.2
685.30304	1.4
687.31500	0.2
693.27765	0.9
697.29907	2.6
715.31067	3.6
715.42975	0.3
717.32220	0.4
729.32855	0.5
747.33539	1.4
791.24847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.1
59.63771	0.9
61.98718	1.1
78.95757	37.9
95.12251	1.0
96.95913	1.2
98.48643	1.3
121.99983	3.8
140.01057	16.4
152.99460	9.2
167.14348	4.0
193.15921	1.9
196.03731	11.0
207.17587	1.3
223.20656	2.7
249.18599	11.1
267.19669	100.0
268.20175	2.1
275.16556	12.7
277.21661	1.8
293.17609	52.8
301.21866	4.3
311.18643	49.5
429.17023	2.1
447.17917	2.2
490.21973	8.4
498.26590	5.3
508.23209	1.6
572.88293	1.4
628.33002	1.4
792.44672	76.3
793.45117	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	11.0
71.01245	11.4
71.04906	1.7
73.02817	2.6
75.90361	1.7
83.04891	4.9
84.02003	2.0
87.00739	1.8
87.33694	1.6
89.02287	7.6
93.60105	1.7
95.96564	1.6
97.06433	2.5
101.02298	7.6
111.27097	2.1
113.02314	4.0
115.07470	2.9
119.03346	2.4
125.09624	5.4
127.07518	2.9
131.64830	1.9
135.08087	2.4
141.86441	2.0
153.09094	24.1
163.11194	6.5
165.12894	4.2
171.10201	27.7
178.09929	5.9
179.05525	2.0
185.11737	6.0
191.14331	2.5
192.51184	2.2
197.11763	9.8
207.10059	2.3
209.11787	63.6
238.12111	4.1
245.19089	3.5
249.18590	85.5
253.09244	16.2
259.57208	2.2
289.18137	21.3
307.19162	100.0
325.20239	37.1
341.47043	2.6
500.91110	2.6
525.26947	8.0
543.28088	32.2
555.76697	2.3
561.29211	6.7
706.39301	5.2
775.46204	13.4
793.47980	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	794.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21907	2.8
78.95761	37.4
111.02308	2.9
111.21056	3.2
120.34083	2.9
140.01062	15.7
152.99483	10.4
162.88649	2.9
196.03716	9.3
249.18657	10.4
258.94043	3.9
267.19669	100.0
275.16574	14.9
293.17606	57.0
293.20740	5.2
303.23291	7.2
311.18640	53.3
461.48294	3.9
490.22180	12.8
561.42383	4.9
673.28894	3.9
794.46289	91.0
795.46667	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	795.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45304	0.2
59.87294	0.2
67.06631	0.2
68.43550	0.6
68.49784	0.2
74.53775	0.2
79.06278	0.2
81.38472	0.3
86.46345	0.2
86.53738	0.2
88.98429	0.7
106.04142	0.5
107.04893	0.4
107.77251	0.3
120.40010	0.3
179.50516	0.3
191.01920	0.6
210.06573	0.3
211.07594	25.2
212.07956	0.6
250.04918	0.4
251.05569	0.7
252.96954	0.9
253.07201	100.0
253.18938	0.7
254.07545	4.6
255.07132	0.3
257.08124	0.4
268.06088	0.5
279.05130	6.4
280.05710	0.6
282.03726	0.7
286.06888	0.7
297.06195	68.0
298.06424	3.2
299.06207	0.5
312.04745	0.4
341.10349	0.6
342.11057	4.4
343.12039	0.3
374.10141	3.1
405.35251	0.3
449.16061	6.4
450.16452	0.5
474.16263	0.3
477.57278	0.3
493.15045	4.4
504.49103	0.3
536.13000	0.5
537.14087	72.4
538.14313	5.0
594.73627	0.3
766.91699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21063	0.6
59.01241	100.0
59.02460	1.7
61.98734	0.7
71.01247	2.5
89.02315	2.8
97.02854	0.8
101.02328	2.0
113.02344	1.0
125.02367	0.6
125.94184	0.6
127.16428	0.6
141.01576	59.9
141.06059	0.8
235.08218	0.9
243.04834	0.9
249.18791	0.8
255.23259	8.4
257.06561	0.7
327.21875	1.1
337.23581	4.5
392.16208	0.7
397.13544	12.2
415.14639	1.7
419.11807	2.6
437.12613	4.2
473.29602	1.9
595.36029	0.8
653.37958	2.1
675.35846	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	795.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49098	43.6
91.73382	100.0
129.65781	49.2
227.58966	53.0
286.58932	52.1
416.30368	57.2
460.74826	57.0
481.85278	56.8
756.53937	61.8
826.97186	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29791	36.0
72.69176	39.4
75.50483	41.1
91.73419	100.0
99.77624	46.4
154.17625	45.0
156.94930	44.7
201.40643	49.2
247.43695	50.5
250.38390	51.4
291.19797	90.6
310.38025	51.3
531.89825	54.4
570.83295	67.4
817.48322	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24186	0.8
59.01233	2.9
72.36263	1.0
75.17252	0.8
80.04918	4.9
89.29211	0.9
92.86734	1.2
94.02839	3.0
94.06473	1.0
104.04915	2.0
106.06469	7.3
108.04388	1.8
116.92720	1.0
122.05979	13.4
124.03907	3.0
132.04544	1.5
132.43867	1.1
134.05989	30.8
136.03899	3.0
136.07561	8.6
138.05518	2.7
139.03902	1.4
148.03902	1.7
150.05524	5.3
152.07059	36.4
160.03911	1.5
174.05539	2.8
175.05058	1.2
185.07085	1.2
190.04956	2.3
199.76857	1.0
201.10323	6.0
213.10287	3.1
215.11864	1.7
225.10205	1.2
227.11877	3.7
229.09784	8.4
229.13460	3.0
237.10365	2.4
239.12003	2.2
243.11397	1.6
245.12936	5.3
249.10327	2.1
250.07414	1.2
255.11380	3.8
257.12930	3.0
263.08240	2.6
265.09863	2.3
267.11426	2.0
273.12454	3.6
277.09860	3.3
278.10739	6.3
279.11578	1.6
283.10950	1.1
285.03967	2.0
289.12286	1.5
291.11346	2.0
295.10953	4.1
301.11951	8.3
309.12506	2.6
313.12140	2.1
319.13000	36.9
323.10373	5.5
325.12057	1.3
327.13623	2.1
330.12680	1.9
331.14569	1.9
355.13141	2.6
360.13754	1.3
372.13358	2.0
374.15060	9.7
386.15222	3.2
392.16290	7.7
398.14993	2.2
416.16190	7.9
425.17282	1.5
428.16019	1.2
432.15796	3.1
434.17197	5.0
442.17261	1.4
446.17059	2.5
521.21771	1.8
527.22937	1.1
539.23224	2.2
557.24176	3.9
563.22400	1.4
569.24097	3.3
581.24170	10.8
599.25110	12.8
613.23572	3.7
625.23077	11.7
628.06415	1.3
643.24188	53.9
644.24878	1.8
645.26532	4.9
657.25830	12.7
675.26782	100.0
676.27179	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	797.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36932	9.7
117.89330	13.6
131.33632	11.3
215.89044	12.5
246.13051	13.0
288.47101	13.2
300.67166	14.0
433.99020	18.5
453.90552	15.4
524.03796	37.3
525.04681	100.0
543.05902	67.2
556.03052	28.8
557.03882	67.8
610.33575	16.1
797.13354	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67012	57.6
61.09842	59.0
67.39389	63.7
74.51968	71.0
94.31715	68.5
106.37548	75.6
120.58028	77.8
130.82935	76.6
165.21382	80.7
205.09645	90.9
212.51563	76.9
249.99634	74.5
285.03885	100.0
301.35675	85.9
305.76892	80.4
434.48138	92.8
536.83057	90.7
719.30908	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.462
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50003	60.9
62.73461	78.5
77.91991	78.3
84.91656	63.4
93.88785	65.1
98.03145	62.5
141.27034	76.1
146.33484	79.4
150.87128	77.3
214.27467	76.5
388.03845	91.3
401.13260	91.9
481.56879	91.4
549.88910	88.1
613.34851	100.0
750.94659	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60635	64.3
63.06847	57.9
64.84180	62.0
91.73473	64.2
127.26628	75.2
140.10394	82.3
237.88983	91.6
557.51062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
74.52132	68.6
124.08614	77.5
134.20923	76.3
141.70709	78.6
159.69897	76.3
163.00154	83.0
182.60564	82.3
406.12805	82.8
438.03583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71603	0.4
59.01235	2.7
59.21395	0.4
65.13876	0.4
66.12288	0.5
70.42251	0.5
71.01232	1.0
85.02802	2.6
86.06953	0.5
89.33204	0.9
89.33676	0.7
91.72733	0.5
95.01202	0.7
96.95907	0.7
101.02313	0.8
107.01204	1.1
113.02316	2.5
133.02814	5.1
149.02290	1.0
151.00261	3.6
175.03925	2.5
199.03944	2.2
205.40115	0.5
213.05522	0.6
217.05028	1.5
241.05016	0.7
242.45876	0.5
257.04379	0.7
269.04611	1.0
284.03290	6.2
285.04056	100.0
286.04346	1.5
297.04099	1.3
327.05136	3.8
346.88528	0.6
399.07227	11.1
443.06018	2.4
461.07278	33.3
479.08508	1.4
511.07523	0.6
619.09528	0.6
623.12488	4.1
779.38538	0.6
799.15558	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	799.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01007	0.3
59.01242	2.7
65.00176	0.4
71.01235	1.3
72.99157	1.2
73.02805	0.6
75.00712	1.7
85.02810	2.4
85.03233	0.5
87.00726	1.0
89.02293	1.1
89.33185	0.9
95.01241	0.9
96.95835	0.6
99.00742	1.9
101.02283	0.7
101.43147	0.4
107.01229	1.1
111.00752	0.5
113.02289	3.1
115.00201	0.5
119.03316	0.4
121.02757	0.4
129.01794	1.8
133.02815	5.5
139.00264	0.6
149.02299	0.9
151.00264	3.8
164.97899	0.4
168.91167	0.4
175.03926	1.5
199.03911	1.6
201.01836	0.5
217.04988	1.7
221.06512	0.5
241.04999	0.9
243.03046	0.7
255.02942	0.7
268.73584	0.5
283.02356	0.7
284.03427	2.2
285.04056	100.0
286.04340	1.5
327.05176	0.7
337.07672	1.3
381.06323	0.6
405.91217	0.5
461.07285	28.9
462.07761	0.6
479.08325	1.0
479.82495	0.5
623.12457	10.2
623.21820	0.8
799.15686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87618	0.3
59.01249	0.4
59.79710	0.8
59.79986	0.4
73.02865	0.3
82.78074	0.3
83.04889	1.4
91.39498	0.3
96.95888	0.8
102.61739	0.3
109.33247	0.3
109.39427	0.3
115.19465	0.3
117.92745	0.4
118.92497	0.5
119.03355	0.6
120.42995	0.3
121.02821	100.0
121.06445	1.2
122.03191	0.6
224.17706	0.4
225.16040	1.1
300.92337	0.4
353.76324	0.3
363.08701	0.5
404.51849	0.4
405.56107	0.4
408.32431	0.4
451.32541	0.8
592.24237	0.4
598.61084	0.4
677.49786	23.5
678.50256	0.9
769.84338	0.4
799.54132	1.6
817.19824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.4
67.05592	1.3
70.17507	1.4
80.04942	2.1
80.64952	1.6
84.04394	2.1
96.95903	4.5
100.03883	4.2
106.06515	3.1
108.04414	2.5
120.08076	2.6
121.07596	3.8
122.06014	3.1
122.62308	1.4
124.03933	3.3
133.07584	11.8
133.98087	1.8
135.55243	1.3
136.03954	6.6
136.88513	1.7
138.05522	3.0
141.11243	1.5
145.07596	2.8
148.03957	2.5
148.11237	6.0
150.05478	5.8
159.09138	1.7
163.12325	3.8
168.06546	4.3
173.10670	2.3
175.12308	17.5
178.59811	1.7
201.10173	10.7
213.10442	1.5
217.68434	1.8
219.11417	3.9
223.08722	1.8
229.09805	6.7
237.10521	2.7
239.11848	2.6
245.13002	2.0
255.11407	2.0
257.13083	2.0
263.11893	1.8
265.09845	3.3
282.66248	1.6
284.64383	1.9
291.11331	2.0
301.11905	4.5
319.13022	12.8
346.12009	1.8
358.12006	2.7
359.12668	2.4
370.11942	2.2
372.13620	5.1
374.15131	3.3
388.16556	2.5
390.14880	2.2
392.15988	2.8
400.13016	2.2
401.13364	2.0
402.14828	2.1
404.16086	3.4
406.18030	2.3
416.16293	2.7
428.15796	2.6
432.15863	6.0
444.45941	1.8
446.17426	4.7
460.14966	1.8
478.15698	2.0
627.24463	5.7
659.27380	3.7
666.29456	11.3
692.26953	3.4
698.28033	22.2
710.28296	40.4
728.29419	100.0
729.30109	2.8
742.30927	2.9
760.32245	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	805.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83270	0.3
79.95576	1.8
92.04562	0.3
93.96822	0.3
96.93342	1.2
96.95866	100.0
120.04386	0.9
122.05974	0.7
136.07538	0.6
144.28087	0.3
150.05510	0.8
168.06653	0.3
190.05046	1.2
229.09828	1.3
230.11797	0.6
230.15620	0.3
238.24002	0.3
245.09358	0.5
268.49124	0.4
273.12677	2.0
317.11301	1.5
335.12518	8.3
335.16568	0.4
353.57382	0.3
357.10141	0.4
371.12537	1.2
384.79785	0.3
542.64563	0.3
707.26202	1.8
752.13690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02968	0.3
79.95595	2.0
96.93327	1.3
96.95870	100.0
96.98705	0.7
104.46867	0.4
126.90356	1.4
134.06038	0.6
152.07144	0.5
182.64636	0.4
195.34154	0.4
211.70935	0.5
675.26862	0.8
707.29700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	9.6
67.02879	1.9
80.04917	3.3
85.03935	7.0
91.72695	1.8
94.02841	4.0
94.06501	2.2
96.95875	56.9
96.96490	3.9
104.04890	2.4
107.06000	4.9
108.04401	3.7
113.57683	1.7
119.06028	10.2
120.08081	2.4
121.07595	3.7
122.05950	10.0
124.03925	4.6
131.06047	3.0
132.04410	4.8
134.05992	3.0
136.03947	8.4
136.07587	3.0
137.04706	3.9
137.07104	9.4
138.05513	6.0
147.05544	2.0
147.09177	5.1
148.03934	5.1
149.07114	11.9
150.05505	13.9
151.08662	6.4
160.03909	2.7
161.07100	4.3
168.06580	3.0
175.05118	3.0
177.10239	2.6
183.20912	1.9
190.05011	5.1
190.09831	3.3
201.10242	15.5
204.07817	1.8
208.10907	2.7
213.10329	6.3
215.08237	2.2
220.10905	7.4
223.08672	2.2
227.11839	6.1
229.09842	16.2
229.13382	4.0
236.31287	1.9
238.12003	2.2
239.11943	9.6
241.09871	5.5
245.13025	3.1
247.10858	2.0
247.56178	1.7
255.11476	5.7
257.13040	5.5
264.08932	2.4
265.09875	3.2
273.12634	5.4
277.09857	2.5
279.11420	2.0
285.04120	6.8
289.12088	5.3
291.11307	2.3
301.11942	22.0
309.12466	4.0
317.11673	3.0
319.13037	63.6
320.13580	2.1
330.12729	2.4
335.12445	11.7
345.10989	7.5
359.12833	4.0
372.13623	7.1
374.15417	10.4
386.15137	3.2
388.16785	2.5
391.15079	2.7
392.16147	10.8
397.54880	2.0
398.15286	3.4
414.14600	3.2
416.16370	7.2
418.13626	3.3
432.15546	12.2
434.17310	8.0
444.15836	2.2
446.17288	6.7
478.16376	2.8
524.65448	2.1
583.21606	3.1
599.25745	2.5
646.72272	3.7
649.27264	2.5
655.28882	4.9
656.27301	3.2
667.29163	10.1
668.27692	6.3
685.30170	6.9
686.28326	9.0
699.27814	33.1
700.29175	2.9
711.27942	74.4
712.28729	4.7
718.31189	3.3
729.28937	100.0
730.30200	3.9
731.30457	9.6
743.30664	16.2
744.30676	3.1
761.31476	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	805.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74305	57.3
61.98700	88.7
67.56815	66.2
68.13480	71.6
91.72831	100.0
104.04670	72.9
129.95146	82.4
134.36598	80.2
157.89714	76.6
213.20224	77.7
782.18475	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	31.1
59.02451	0.6
61.98694	0.3
65.65906	0.9
66.54156	0.2
71.01244	1.9
73.02808	0.5
73.26101	0.3
83.01241	0.3
85.02776	0.6
87.00705	0.4
89.02293	1.4
101.02291	1.9
113.02290	0.9
119.03362	0.4
143.03336	0.4
161.04420	1.1
179.05490	0.3
185.59006	0.3
185.60547	0.3
188.93481	0.3
203.41260	0.5
205.19566	0.6
229.49646	0.3
235.08232	2.1
249.18591	58.2
250.18893	1.7
253.06763	0.3
253.09280	6.7
259.20859	0.4
260.13959	0.3
275.20172	0.5
277.21735	100.0
277.34259	0.8
278.21997	2.9
310.24484	0.5
366.66257	0.3
392.41068	0.3
513.30670	0.9
737.28198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00031	0.4
59.01240	31.5
59.02317	0.5
65.65922	1.0
65.66281	0.7
71.01241	2.1
73.02773	0.4
83.04874	0.5
87.60297	0.5
89.02282	1.6
89.54114	0.4
96.95858	0.4
99.16633	0.3
101.02287	2.2
104.14535	0.4
109.25430	0.4
113.02292	1.1
116.97096	0.7
119.03358	0.5
120.86863	0.4
141.01581	0.7
161.04433	0.8
167.77100	0.4
174.53624	0.4
203.02348	0.4
203.41277	0.8
233.22687	0.5
235.08203	2.6
249.18582	63.6
250.19009	0.8
253.09299	7.1
277.21725	100.0
278.22037	2.0
310.24551	0.4
539.80127	0.4
757.17700	0.6
819.35132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.02658	1.8
61.20171	1.4
62.14853	1.4
69.06905	1.4
70.00397	1.5
80.04910	2.6
82.02843	2.1
83.33343	1.6
84.04411	4.2
89.07496	1.7
92.61528	1.5
94.02837	19.0
94.06447	2.3
96.04385	2.2
96.95882	12.1
100.03907	11.9
104.04909	2.1
106.06504	5.0
107.14542	1.5
107.82508	1.6
108.04405	4.3
108.08092	2.1
110.05968	2.5
110.14707	1.6
111.47579	1.5
118.05299	1.9
118.06451	3.0
119.06013	3.7
120.08065	15.8
121.07571	9.6
122.05991	3.0
126.90342	5.3
128.03340	8.5
131.06017	2.9
132.04401	3.3
133.07591	20.9
134.06018	2.9
134.09644	3.1
135.09158	2.6
137.17882	1.5
138.05516	6.6
141.74072	1.6
145.07600	9.6
148.11198	13.0
158.09680	3.9
160.03893	2.3
161.10658	2.2
162.05626	2.0
163.12311	8.6
173.10773	4.9
175.12317	44.5
187.08730	3.3
190.05136	2.7
199.08665	2.6
201.10303	14.4
213.10344	3.2
215.11786	3.9
219.11258	10.4
220.48102	2.0
223.08746	6.4
225.10268	3.2
227.11737	1.8
237.10255	8.6
238.11142	2.7
239.11940	9.9
249.06702	5.3
249.10341	7.6
251.08231	7.5
251.11905	11.0
259.10886	2.4
262.07620	4.9
263.08261	13.3
263.12134	3.8
264.09055	15.7
264.12827	2.7
265.09882	10.0
265.13519	3.9
276.09091	6.0
277.09882	20.1
278.10593	11.9
279.11365	27.1
280.12042	6.8
281.12979	5.6
290.10458	2.0
291.11444	19.1
292.12146	12.2
293.12903	13.8
294.13672	4.3
319.10648	2.4
323.10434	6.2
324.11160	7.4
325.11630	2.0
326.12665	4.9
337.11914	5.3
369.18848	2.1
370.15500	2.9
374.15131	2.5
375.15872	2.1
376.16791	4.6
382.15631	3.4
384.17300	3.9
388.16760	5.5
394.15067	2.6
396.17181	2.7
397.17923	5.8
398.18811	4.3
401.21298	2.8
411.19476	2.9
412.20471	3.1
427.19171	2.2
428.19659	2.4
439.21829	2.1
443.18558	5.0
444.19522	2.4
455.18634	2.7
457.19315	2.5
459.27295	1.9
483.20480	3.9
485.22021	5.6
493.22281	4.3
494.23215	3.7
496.22601	2.8
497.22156	3.1
511.23608	4.9
512.24121	7.7
544.23511	5.3
555.22174	2.5
556.22974	13.4
574.24249	3.5
605.25806	4.7
608.29413	4.3
629.26202	6.6
640.27887	11.7
650.29181	2.4
652.27899	30.2
653.28308	2.6
668.31177	10.6
670.28937	68.5
671.29047	4.6
672.30457	3.3
682.28735	5.0
684.30737	4.9
694.29242	11.4
700.29980	19.2
702.31433	34.6
703.32336	2.5
712.29962	58.8
726.32172	2.5
730.31018	100.0
731.31519	7.1
744.32947	8.0
758.29901	2.5
762.33722	15.9
781.10779	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	806.462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26170	3.9
59.01234	11.1
78.95762	19.7
81.40659	4.3
108.53999	4.2
122.03586	5.4
140.01077	10.7
164.95659	4.6
165.10396	5.4
174.76196	4.7
178.34976	4.8
242.67784	5.2
249.18579	45.7
250.19077	5.8
257.22797	6.0
275.16437	29.3
277.21631	12.8
278.21780	5.7
281.21243	10.9
293.17609	79.1
301.21738	30.9
325.20233	100.0
367.73645	6.4
448.71112	6.2
806.46582	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	10.7
66.29731	1.7
74.00549	2.8
74.02326	13.6
76.62792	1.6
82.02813	4.3
86.02322	9.0
87.05505	5.2
90.00088	2.0
94.15493	1.6
96.95857	7.2
97.03945	7.4
99.05473	21.1
100.00244	2.2
101.07011	1.7
102.00056	4.2
102.05493	2.3
106.04108	17.7
106.06477	2.0
108.02049	3.0
111.05527	4.7
113.03428	3.0
116.01656	2.6
117.28024	1.8
123.05515	11.1
124.03889	6.7
125.03422	3.3
127.05003	3.8
128.02531	3.3
128.03400	30.5
131.02774	1.9
132.08075	2.1
135.05534	5.4
137.07060	2.9
141.06572	5.1
143.04501	88.4
143.70874	1.9
146.04411	3.0
146.06038	3.2
148.61536	1.8
149.07074	4.9
153.06577	4.5
160.00662	16.4
167.04532	3.1
170.03172	3.0
174.09151	18.2
175.01744	8.5
177.03333	6.9
179.04532	10.9
185.05582	2.6
195.09087	2.3
199.12352	7.1
210.08789	10.2
212.10779	15.0
219.84962	1.9
238.12439	12.0
239.12486	1.9
254.07785	9.2
270.11295	4.0
272.08984	16.1
278.11682	2.6
280.13437	26.7
288.06592	3.5
292.58423	2.5
293.16641	4.4
305.16595	9.8
306.07651	59.2
323.14053	2.5
324.12427	24.5
337.15536	4.5
338.04855	7.1
349.15558	6.6
381.14685	3.9
388.16599	2.9
393.14636	5.3
399.13766	3.0
406.17786	7.6
450.16858	16.5
468.17789	40.7
484.15668	4.3
500.15048	36.6
502.16583	100.0
503.16910	2.4
534.14087	12.2
778.72931	2.2
789.22766	3.3
807.23480	46.9
808.23053	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	807.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25903	0.3
79.95593	1.9
83.60840	0.3
84.91283	0.3
91.72670	0.4
94.02834	0.3
96.93309	1.4
96.95870	100.0
120.04442	0.6
138.05515	0.4
142.86139	0.4
159.81886	0.3
168.06541	0.7
190.05016	1.2
213.24379	0.3
225.54376	0.4
371.12427	0.9
519.02460	0.4
590.14178	0.7
649.26184	0.6
696.62323	0.4
709.28076	0.6
807.25079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92139	0.2
56.94879	0.3
57.03320	0.3
59.01226	0.6
63.63692	0.3
69.00072	0.3
71.71514	0.2
73.52469	0.2
79.95583	2.5
80.04904	0.4
83.54813	0.2
87.64576	0.3
94.02846	0.4
96.93603	1.1
96.95867	100.0
96.98480	1.4
99.04379	0.3
108.04449	0.3
114.94048	0.3
119.00812	0.3
120.04390	0.3
121.07524	0.3
132.04442	0.7
134.05910	0.3
138.05505	0.3
212.88362	0.3
251.11980	0.3
263.08298	0.3
269.04587	1.0
277.09869	0.4
279.11343	0.4
296.90515	0.3
440.16418	0.3
543.48944	0.3
556.22852	0.4
574.23291	1.1
590.15222	0.4
606.25439	0.7
649.25848	0.3
671.29510	0.4
691.26581	0.5
709.27618	0.7
731.31549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.5
67.02876	2.8
68.01271	2.2
79.95602	3.1
80.04914	3.4
85.03929	6.6
92.04903	2.6
94.02843	32.0
94.06471	3.7
96.04393	2.8
96.95872	100.0
102.35600	2.3
106.06473	3.0
107.06036	3.7
108.04393	4.0
119.06017	13.5
120.08062	24.6
121.07606	3.4
122.06005	3.8
131.06020	3.4
132.04433	2.9
134.05994	4.6
136.03951	2.4
137.04752	2.7
137.07069	15.1
138.05490	12.2
147.09187	12.6
149.07104	19.2
150.05492	2.1
151.08658	7.8
152.06967	2.8
158.02211	2.8
160.03952	1.9
161.07120	10.6
164.07056	2.8
167.08110	2.1
173.07112	2.2
175.08557	2.6
177.10248	4.9
190.05069	3.9
190.09836	3.9
204.07761	4.1
208.10809	5.1
220.10921	14.2
221.10963	2.1
223.08699	4.0
224.09500	3.2
225.10306	2.1
236.09592	3.0
237.10336	8.6
238.11267	2.6
239.11917	9.3
249.06754	2.8
249.10451	3.5
251.08220	5.2
251.11938	7.3
263.08151	9.6
263.12006	3.1
264.09076	14.6
265.09860	9.9
265.13358	4.0
267.11240	2.4
275.08273	2.4
276.08997	5.9
277.09796	14.7
278.10583	11.8
279.11371	40.8
280.12064	7.1
281.12930	7.0
291.11380	21.9
292.12268	12.5
293.12933	16.0
294.13684	4.8
305.09253	3.2
311.14340	2.6
323.10297	5.5
324.11072	8.1
325.12012	2.1
326.12558	3.5
336.11249	4.8
337.11951	6.9
344.17584	2.3
369.24219	1.9
370.15994	2.6
382.16003	3.3
388.16833	2.6
429.17337	2.7
441.18478	2.4
459.17911	3.5
470.22055	2.4
474.19522	2.6
485.17789	2.8
486.19235	2.4
496.20731	2.7
501.21295	4.8
502.22366	2.8
512.22913	2.7
513.22021	2.7
539.42212	2.4
544.22253	4.3
545.23145	3.1
556.22314	5.5
557.22858	8.2
574.23181	5.9
575.23480	2.8
576.24841	5.3
588.25000	8.8
606.25812	20.8
609.28552	3.8
617.26019	2.7
641.27673	6.1
652.27448	2.6
653.27460	11.9
658.28455	3.2
669.30157	6.1
670.28894	5.9
671.28851	9.7
673.30084	4.8
683.28308	5.5
685.30231	5.5
688.30267	5.8
692.99152	2.8
695.28497	7.8
701.29657	25.7
703.30511	12.8
713.29480	70.4
714.29517	3.5
715.30237	2.6
727.31433	3.4
731.30511	57.9
732.30463	3.1
733.32410	11.0
745.32043	16.6
763.33002	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00968	2.5
59.01241	30.4
62.96095	1.1
71.01250	1.8
71.24126	1.4
78.20902	1.5
89.02275	1.8
193.37003	1.7
235.08223	2.5
247.23300	1.8
249.18590	54.7
251.20148	9.9
253.09303	8.8
277.21732	15.7
279.23300	100.0
402.60275	1.8
825.36383	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	808.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
61.97429	1.9
61.98693	100.0
62.00153	0.9
70.02783	0.1
91.72709	0.2
98.10143	0.1
121.85159	0.1
135.52229	0.1
165.79356	0.1
249.18558	0.1
250.71008	0.1
277.21741	0.2
302.37546	0.1
408.55875	0.1
473.87329	0.1
756.61340	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	7.9
71.23215	1.3
73.02785	1.5
78.98447	5.5
79.95583	12.0
80.96371	81.0
85.02810	4.1
87.00704	2.2
91.73013	2.6
93.48830	1.2
94.97943	18.8
97.02768	1.3
101.02286	2.6
106.97959	3.3
109.68082	1.4
122.97459	4.9
125.02312	3.6
134.97450	5.3
135.69418	1.5
136.99052	2.4
148.99071	8.6
152.98503	7.7
164.98518	15.0
173.18520	1.6
189.80067	1.4
206.99693	2.6
225.00716	20.0
275.31046	1.7
277.21570	2.6
531.22711	2.3
559.26221	2.2
809.45190	100.0
810.46130	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	809.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98680	100.0
64.23179	42.3
94.43571	44.1
168.56641	54.4
182.56430	48.8
206.89610	48.4
209.45734	47.9
220.19572	43.7
297.63937	45.7
349.14148	53.6
549.08136	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	811.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28647	0.2
72.44814	0.5
72.45138	0.3
84.10080	0.3
85.84442	0.3
93.03338	1.2
93.37563	0.7
93.38167	0.6
101.94683	0.3
106.04096	1.9
107.04893	3.3
111.75790	0.3
119.04882	3.4
123.29498	0.3
124.88225	0.4
133.28036	0.3
151.03860	0.3
153.95665	0.4
188.25397	0.3
206.99640	0.4
211.07552	0.5
213.09167	3.8
243.03404	0.3
253.07082	0.3
257.08151	2.9
267.03397	6.0
269.04977	100.0
270.05450	2.8
278.04837	0.3
282.02115	3.2
283.02948	1.3
295.02805	2.7
300.03067	1.0
313.03967	69.3
314.04401	1.7
315.01776	1.6
340.02597	0.5
357.02985	3.9
358.08725	0.5
375.09055	0.4
453.33810	0.5
465.13916	2.0
509.12799	5.9
553.11859	84.8
554.12115	3.0
811.21301	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	811.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63459	21.3
60.00966	22.5
74.10048	22.5
79.36447	25.6
109.09212	27.8
131.02612	29.1
133.11832	25.4
145.40242	28.6
171.90616	29.4
188.01518	31.6
198.25407	30.3
201.60851	29.0
249.18521	57.3
289.18173	100.0
323.88931	31.0
344.17331	27.6
356.37411	31.1
540.84125	28.3
811.44171	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38613	2.5
59.01233	3.4
61.87162	2.6
79.44067	3.4
84.05559	2.8
91.73392	2.9
96.95903	4.2
108.04416	6.0
110.36418	3.1
120.04417	40.8
120.07970	3.2
122.06003	12.0
136.03940	4.6
138.05470	11.1
150.05515	19.4
152.07124	5.1
168.06572	16.4
190.05017	5.3
201.10277	11.7
213.10318	6.1
229.09868	11.6
229.13602	4.8
231.11310	3.6
239.11862	4.9
241.09752	4.2
243.07845	3.8
243.11345	6.5
251.11603	4.4
257.12946	5.6
261.12512	3.7
265.09879	4.4
301.12012	12.7
311.10321	5.8
319.12964	54.5
339.09924	6.8
372.13702	6.2
374.15308	12.3
392.16153	12.8
416.16104	7.7
434.17194	5.8
573.23596	5.3
597.23633	14.7
615.24725	16.1
629.22681	5.8
641.22980	26.3
659.23596	47.5
661.25488	11.0
673.25378	26.4
691.26245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.352
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08260	7.8
76.25327	6.8
79.94321	8.6
91.72733	9.4
94.02827	20.3
96.95849	8.8
100.46195	6.0
106.87325	7.1
116.08456	8.8
120.08063	14.4
121.07634	8.6
122.05993	12.1
122.80090	8.7
131.01151	6.8
133.07564	18.9
147.09169	19.2
152.07076	14.4
160.03917	12.8
162.05536	26.6
195.17180	10.3
197.86743	9.7
200.59639	8.9
209.97302	8.1
237.10402	12.4
239.11876	12.9
240.10089	9.2
250.34427	8.2
251.11865	15.5
255.11517	9.5
257.13416	8.3
264.09113	16.8
265.09848	24.3
267.11472	13.0
269.13007	37.9
277.09781	22.4
278.10504	13.7
279.11426	29.8
281.12949	11.0
285.04059	34.6
291.11374	10.3
292.12610	9.7
293.12958	17.0
370.15823	13.1
431.18509	18.7
443.18716	10.2
459.20361	11.4
461.07776	11.3
463.17007	10.5
536.74866	10.0
557.24011	32.1
587.24841	13.0
589.27014	10.8
599.25348	18.6
617.25934	59.8
702.29553	25.6
720.30310	50.4
752.32928	16.0
756.50562	10.5
762.32019	50.4
780.32410	100.0
784.00000	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	813.1376
Annotation	Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide
Peak:m/z	Relative Intensity
59.01242	1.3
64.40501	0.4
70.75020	0.4
71.01241	1.1
75.00725	0.8
82.08655	0.4
84.74528	0.4
85.02805	2.0
87.00716	0.6
89.33198	0.9
89.33719	0.7
89.48537	0.3
95.01267	0.4
99.00756	0.8
107.01234	0.7
113.02315	1.9
133.02818	4.9
149.02356	0.8
151.00237	3.9
175.02525	0.5
175.03923	2.7
178.84120	0.4
191.76306	0.4
197.40050	0.4
199.03935	1.7
201.01910	0.9
201.17799	0.4
210.97908	0.5
217.05087	0.9
231.68829	0.4
241.05106	0.9
243.02986	0.6
283.32761	0.4
284.03241	1.1
285.04065	100.0
286.04407	1.5
297.03821	0.6
327.05087	1.8
357.06226	0.7
451.23132	0.4
460.64633	0.5
461.07312	32.3
462.07510	0.7
479.08179	0.6
637.10620	12.3
715.78894	0.5
813.14331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	10.4
66.40633	3.1
72.18430	2.6
78.89540	3.1
80.04917	6.9
94.06493	3.6
96.95865	10.9
99.05497	7.5
103.14672	3.1
106.06483	3.8
107.65760	3.5
108.04377	6.1
121.07573	7.6
122.06024	6.3
123.16721	3.6
124.03931	7.0
127.42833	3.5
130.46158	4.0
132.04391	6.4
136.03914	8.9
138.05429	5.1
138.76024	3.6
139.08647	3.4
147.05467	4.4
150.05539	16.6
151.08646	6.3
168.06654	4.8
201.10194	17.0
204.11337	7.4
213.10321	7.6
222.12337	4.2
225.10223	4.0
227.11993	4.9
229.09804	16.1
229.13411	8.7
234.12468	9.4
239.11879	6.9
241.09772	7.1
251.12405	3.6
255.11443	6.1
257.13153	6.0
273.12582	5.7
280.65967	3.8
297.12405	4.4
301.11838	17.8
319.13077	48.4
335.12610	11.6
356.02588	4.2
358.11710	7.6
372.13525	6.8
374.15097	8.3
391.15341	5.1
392.16104	8.6
416.16132	9.0
432.15878	10.5
434.17215	7.3
444.15048	4.1
446.17499	6.4
455.82047	4.0
583.21802	4.6
643.24408	8.5
660.27057	14.4
674.28009	5.0
681.29828	8.3
692.29456	13.1
699.31580	9.9
713.29688	23.4
725.29504	77.6
743.30646	100.0
757.31757	7.0
775.33026	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76266	1.0
59.01240	2.3
63.29914	1.0
68.99673	1.8
71.01191	1.1
73.28531	1.2
73.44164	1.1
80.04897	4.8
90.46327	1.3
92.04945	1.6
94.02823	1.8
94.06451	3.0
96.95869	17.2
100.03889	6.6
107.05961	2.2
108.04414	3.9
115.57784	1.4
119.06010	5.5
120.08072	2.6
122.05977	5.9
124.03924	3.4
129.59129	1.6
131.06003	2.2
132.04420	9.0
134.05998	1.9
134.09576	2.0
136.03906	7.3
137.07080	4.1
138.05487	4.3
147.05545	1.9
148.03864	1.6
149.07106	4.1
149.10730	3.0
150.05524	7.7
152.07076	8.1
159.09132	1.5
161.10742	13.0
168.06583	4.4
173.10728	2.0
177.22681	1.4
179.11772	1.8
187.08688	5.5
191.11841	9.8
201.10280	5.6
211.08707	1.6
213.10254	3.9
213.52719	1.3
217.09755	5.3
225.10187	1.8
227.11935	2.0
229.09818	6.0
229.13489	1.8
235.10857	2.7
237.10284	1.9
239.11858	3.2
241.09624	2.0
255.11404	3.1
257.12872	2.1
265.09845	2.7
277.09698	1.9
279.11530	2.1
297.12442	5.6
301.11908	6.5
307.47992	1.4
315.13568	3.5
317.11633	1.5
319.13037	15.5
330.12592	2.0
332.13788	1.7
335.12396	2.8
343.13187	1.8
344.10315	2.2
344.14093	2.1
356.14322	2.5
358.11877	1.7
359.12537	5.0
359.64771	1.4
372.13565	4.8
374.15143	4.6
378.14432	1.7
386.15421	2.5
388.16647	2.5
390.14557	2.8
391.15442	2.2
392.16306	3.7
398.15460	2.0
400.12720	2.8
406.18076	3.0
416.16058	5.5
418.13992	2.5
431.15021	2.0
432.15652	9.0
434.17444	3.3
438.70352	1.5
444.16071	1.6
446.17316	5.4
460.15530	1.9
478.16339	2.7
613.23438	2.5
643.24268	3.0
666.24805	1.7
675.26660	3.0
682.28687	10.7
696.27228	2.0
698.28009	1.9
708.26605	5.6
714.27899	18.1
726.27869	54.6
744.28973	100.0
745.29346	3.3
746.30066	2.4
758.30286	7.0
760.21100	1.7
776.31433	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	821.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42811	0.2
79.95597	1.7
91.73462	0.4
94.22160	0.2
96.93514	1.3
96.95866	100.0
96.98585	1.3
120.04428	0.5
122.05933	0.2
123.30018	0.2
150.05504	0.5
211.80910	0.2
229.09961	0.2
269.04630	0.4
293.09238	0.3
319.12915	0.4
335.12546	0.5
338.74585	0.2
615.25726	0.2
673.25653	0.5
691.26129	1.0
711.19415	0.5
723.29028	1.5
729.21051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	3.8
67.71875	3.2
67.81466	2.8
74.90786	3.2
82.02842	8.2
84.04370	3.5
88.26780	3.3
94.02837	39.3
94.06482	6.0
96.04408	5.9
96.51637	3.4
96.95867	6.7
97.03909	5.9
99.05525	5.0
108.04420	8.3
109.07584	8.6
110.05990	4.8
115.64455	3.8
119.06013	4.2
120.08062	29.8
121.07587	16.3
121.64119	4.1
121.73492	3.2
122.05979	4.6
133.07635	3.7
135.05614	4.9
138.05478	23.6
139.08626	8.9
148.30249	4.3
151.08658	18.7
161.10750	7.5
174.05553	3.6
181.02205	4.5
187.08702	8.9
190.05046	10.9
204.11421	12.1
222.12511	9.9
223.08849	5.5
234.12434	31.6
236.09427	6.9
237.10373	10.3
238.11060	3.6
239.11946	10.7
249.06573	6.4
249.10483	6.5
251.08267	8.5
251.11972	11.7
252.12961	4.4
263.08331	22.7
263.11920	6.8
264.09024	20.3
265.09845	16.0
276.09167	9.9
277.09753	22.7
278.10617	16.7
279.11398	61.1
280.12048	8.0
281.12967	10.4
291.11404	32.0
292.12204	17.1
293.12915	21.0
294.13718	5.4
323.10458	5.2
324.11166	15.1
326.12802	6.2
336.11407	5.0
337.12048	5.5
356.13608	5.2
356.17856	5.8
386.14996	6.3
414.18408	5.5
429.16803	7.9
459.18137	7.5
487.20383	5.0
490.18311	4.2
501.21509	5.0
526.24866	6.4
559.24158	8.8
570.23859	11.8
571.25012	18.1
590.26434	6.0
602.26276	6.7
611.68262	4.5
620.27185	22.4
626.26001	4.7
644.28174	5.4
645.25818	6.7
655.29761	4.7
662.28632	13.5
667.29315	16.0
676.31079	4.9
677.28925	6.3
685.30151	12.7
694.30743	10.5
697.30231	7.7
699.32166	7.7
709.29633	5.9
715.31061	39.6
717.32751	18.5
727.30951	100.0
728.31317	6.8
745.32037	97.2
747.34204	12.7
759.33344	17.5
777.34338	41.3
793.12695	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26326	1.9
59.01249	7.3
60.96939	2.0
61.98687	3.1
62.82141	1.8
71.01231	3.2
71.55215	1.6
75.57412	2.0
76.84435	1.9
100.62529	2.0
101.99297	1.8
116.73374	2.0
121.36967	2.4
125.05925	3.2
138.51396	2.1
143.07039	7.3
152.55867	2.0
190.03947	1.9
235.08348	6.7
247.17021	12.9
253.09334	10.3
265.18106	29.0
277.21729	100.0
291.19360	3.0
297.98907	2.8
311.87860	2.4
379.14459	2.4
522.81604	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	821.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.1
61.98690	1.9
63.74284	1.2
69.65524	1.3
89.02311	1.8
91.73080	3.0
99.16643	1.8
112.87518	1.5
120.43764	1.7
121.57348	1.7
145.44191	1.8
157.30847	1.7
207.13803	8.7
213.18956	1.8
224.48564	1.8
235.08253	6.0
247.16992	13.3
253.09332	7.4
265.18121	26.0
277.21753	100.0
291.19577	2.5
383.16864	1.9
449.01105	2.2
470.03564	2.0
506.35431	1.9
574.02130	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	821.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.4
61.98679	2.1
71.01240	3.4
74.59752	1.8
77.47026	2.0
78.61324	1.6
84.96944	1.8
89.02321	4.5
89.28748	1.7
101.02345	4.1
113.02360	3.3
118.80557	1.7
156.08755	1.7
171.10298	2.8
172.61948	2.1
191.51820	1.9
195.13928	8.4
223.13303	4.1
235.08150	3.6
247.17091	3.1
249.18593	86.5
253.09290	20.2
265.18155	7.1
275.20297	13.6
277.21701	28.3
293.21231	100.0
444.96906	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	821.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32952	1.0
59.01247	19.3
61.83186	1.0
62.69933	1.1
65.42697	1.2
67.46382	1.0
71.01254	3.1
89.02351	3.8
94.83434	1.3
96.75191	1.2
101.02307	3.1
113.02299	1.7
121.10173	5.4
136.95338	1.3
161.04561	2.6
171.10172	23.6
179.05624	2.1
183.13881	5.0
186.10275	1.4
211.13445	2.0
223.17020	1.7
226.70554	1.6
231.21237	2.6
235.08270	2.6
235.17020	10.4
247.16982	1.3
249.18600	100.0
253.09239	14.1
256.46613	1.2
258.28461	1.5
275.20197	52.3
293.21243	78.6
529.30164	2.8
756.57019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	5.0
60.83444	2.7
66.03335	2.6
75.21426	2.9
80.04906	5.9
81.61441	3.0
82.02805	3.4
84.04417	4.5
87.71043	2.7
94.02845	17.4
94.06473	4.9
96.04376	4.0
96.95859	3.5
100.03909	23.5
102.05489	7.3
106.06463	7.5
108.04381	5.1
110.05973	3.2
111.06712	2.8
119.06023	12.3
120.08057	17.9
121.07550	4.6
122.05967	6.5
132.04465	5.8
134.05983	4.0
134.09619	5.1
137.07071	8.6
138.05469	6.3
149.07059	10.3
149.10732	5.0
150.05508	3.8
161.10732	34.9
162.05620	3.8
173.10803	4.0
174.05489	4.6
179.11815	4.1
181.30312	3.5
187.08693	11.1
189.10248	4.5
190.05034	6.6
191.11838	26.0
199.08636	3.1
212.10895	3.6
215.11761	4.3
217.09784	12.8
223.08757	9.1
225.10275	3.8
227.74535	3.3
235.08775	4.6
235.10921	11.2
237.10320	11.4
239.11958	13.3
249.06647	7.8
249.10474	4.9
251.08333	9.4
251.11916	13.3
252.12695	4.8
253.13220	5.2
262.07474	4.5
263.08304	15.5
263.11816	7.4
264.09000	21.9
265.09729	19.2
265.13623	3.9
275.08145	3.9
276.08969	7.4
277.09875	23.5
278.10562	15.5
279.11475	37.8
280.12170	12.9
281.12894	8.7
289.09634	3.3
291.11411	23.7
292.12131	19.6
293.10089	3.7
293.12909	19.7
294.13766	10.3
306.10254	4.4
323.10251	5.5
324.11081	13.3
325.12076	5.4
326.12805	9.3
334.15570	4.3
337.11945	5.7
338.05261	4.0
360.13361	7.6
364.20874	3.8
382.15515	4.9
384.17163	4.7
386.15228	4.4
397.17755	6.6
400.60547	3.4
413.17206	6.1
415.19083	6.9
420.15683	5.6
425.17651	3.9
440.06656	3.5
459.18295	6.6
486.19577	4.6
501.21692	4.1
527.23041	5.1
560.22858	8.6
572.22693	15.6
589.23828	5.4
615.24231	5.0
621.25507	6.2
624.28107	8.1
656.27094	13.0
668.27448	44.3
684.29321	6.2
686.28473	66.7
698.28381	5.6
700.29956	14.7
710.28168	16.8
716.29761	21.8
718.31036	53.1
724.29327	4.5
728.29486	82.9
742.30725	5.7
746.30493	100.0
760.31720	14.3
778.32953	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	823.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08111	1.7
81.03306	11.8
83.04879	48.8
95.60088	1.9
96.95869	6.1
100.07527	6.9
150.09026	1.9
175.58394	1.9
199.18045	10.9
225.16077	10.4
243.17149	22.6
273.11447	4.5
292.94669	2.3
353.20908	7.4
451.33136	3.3
469.33813	13.8
573.09198	2.7
579.38293	3.0
695.50818	5.4
708.36578	2.6
823.55658	100.0
824.31702	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	824.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27245	4.0
61.93722	4.1
71.43550	4.2
72.73868	4.2
81.04455	7.1
82.85027	5.1
96.95854	7.5
122.06012	42.6
132.04431	8.9
134.03537	5.3
134.05989	12.9
147.03137	30.9
148.03900	25.4
152.07056	68.1
160.03949	19.1
199.90199	4.6
237.10463	6.0
251.08241	7.9
265.09839	19.7
267.11420	14.6
277.09723	11.6
279.11438	11.0
293.00815	5.4
311.10480	10.3
325.12146	6.7
341.11469	11.8
349.39752	5.6
350.15079	15.3
358.15662	7.5
396.09616	7.6
412.12955	6.5
426.14847	36.5
427.15436	5.8
438.14569	17.3
591.22290	9.2
635.21466	100.0
636.22162	30.3
667.24170	44.2
668.24359	12.0
792.28821	91.1
824.31873	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27245	4.0
61.93722	4.1
71.43550	4.2
72.73868	4.2
81.04455	7.1
82.85027	5.1
96.95854	7.5
122.06012	42.6
132.04431	8.9
134.03537	5.3
134.05989	12.9
147.03137	30.9
148.03900	25.4
152.07056	68.1
160.03949	19.1
199.90199	4.6
237.10463	6.0
251.08241	7.9
265.09839	19.7
267.11420	14.6
277.09723	11.6
279.11438	11.0
293.00815	5.4
311.10480	10.3
325.12146	6.7
341.11469	11.8
349.39752	5.6
350.15079	15.3
358.15662	7.5
396.09616	7.6
412.12955	6.5
426.14847	36.5
427.15436	5.8
438.14569	17.3
591.22290	9.2
635.21466	100.0
636.22162	30.3
667.24170	44.2
668.24359	12.0
792.28821	91.1
824.31873	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14355	1.6
60.40372	1.7
60.77190	1.8
69.76315	2.0
80.04916	3.9
82.88809	1.7
88.40359	2.0
89.80832	1.9
91.73342	4.3
104.04924	2.5
106.06518	10.2
122.05982	21.3
132.04395	10.8
134.05994	49.1
136.07574	22.3
146.02373	7.6
147.03131	28.7
148.03923	22.1
150.05476	4.9
152.07057	45.8
160.03900	16.1
161.04640	4.0
162.05434	3.3
165.07825	2.9
173.04672	2.8
174.05525	5.5
176.03435	6.9
191.05806	2.6
197.06953	2.3
225.10236	2.8
237.10263	2.8
239.08238	4.4
250.07625	2.8
251.08281	8.7
252.08926	3.7
262.07397	3.0
263.08301	7.6
264.09134	6.2
265.09824	15.6
267.11407	21.4
270.62552	2.1
276.09134	3.4
277.09781	14.1
278.07248	1.9
278.10629	7.8
279.11542	11.4
280.12112	2.5
289.09845	5.2
291.07788	2.6
291.11377	6.8
293.09332	4.9
295.11035	4.7
296.11664	4.4
303.11234	2.7
309.08612	2.4
311.10284	12.0
312.11252	5.6
319.10587	3.3
323.10397	3.4
326.12924	5.1
341.11548	15.6
342.12259	2.7
352.11041	2.6
355.13177	3.1
356.13931	5.6
358.15668	3.9
381.11136	3.1
382.11890	4.9
384.13550	3.4
395.12518	3.0
396.09616	5.5
396.13788	5.8
408.13638	5.3
410.11200	11.3
411.12137	8.1
412.12756	4.6
422.11328	4.5
423.12335	3.2
424.13113	22.3
425.13559	9.4
426.14465	28.8
427.15585	5.2
436.13077	6.4
437.13797	4.5
438.14600	16.8
439.15811	4.0
452.12729	2.7
462.82187	2.3
470.13351	4.7
531.20093	2.2
544.13324	2.4
545.22034	5.6
557.17487	2.4
559.19940	3.7
561.21759	4.2
571.20300	2.9
573.21136	23.2
574.22485	6.4
587.19971	2.6
591.22736	10.3
599.19812	4.2
605.20581	13.6
617.20398	21.5
618.21356	9.7
635.21515	71.7
636.22424	19.8
637.23041	3.0
649.23065	12.5
650.24518	2.9
667.24084	43.3
668.24902	12.7
762.27325	6.6
774.28021	22.5
775.28015	3.2
792.28925	100.0
793.30029	5.0
806.30530	12.7
824.31415	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39152	8.1
72.43684	11.5
76.99458	8.3
82.73634	10.9
83.45731	10.2
95.72049	10.8
97.25353	9.1
111.81606	9.6
117.37809	9.5
122.05974	18.7
132.04462	11.6
134.06027	49.1
136.07574	22.9
147.03110	28.7
148.03941	17.4
149.78348	10.8
152.07068	28.7
160.03973	17.4
250.83887	10.9
265.09677	13.5
277.09732	15.0
278.10532	13.6
384.13120	14.1
424.13110	14.9
426.14526	15.0
438.14520	13.3
482.66846	13.4
573.21405	17.6
617.20599	33.3
635.21521	100.0
636.22571	16.3
649.22778	11.1
663.69312	13.6
667.24139	84.9
777.72046	12.1
792.28809	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	824.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62895	0.9
59.01240	1.2
61.97529	1.0
61.98694	100.0
62.00024	1.6
62.38705	0.4
62.90038	0.5
64.98380	0.4
65.14718	0.5
69.71153	0.5
88.24345	0.4
139.27661	0.6
149.67986	0.5
166.91058	0.6
249.15877	0.8
249.18692	2.2
250.18994	2.5
251.19110	0.9
293.21356	1.8
294.21753	2.8
295.22131	0.7
405.14496	0.5
660.25446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63058	1.0
57.63647	0.5
58.39806	0.6
59.01239	1.6
61.17063	0.5
61.97266	1.2
61.98695	100.0
61.99973	1.8
62.87465	0.5
91.73338	0.6
98.56381	0.5
99.51578	0.5
108.78921	0.5
109.88795	0.5
153.74516	0.6
171.10239	0.8
203.18300	0.7
249.18599	2.9
250.19003	2.5
251.19313	1.4
269.68063	0.7
275.20209	1.3
276.20593	1.8
293.21295	1.8
294.21704	1.9
295.21973	1.4
309.53137	0.6
376.34631	0.6
552.46539	0.7
688.69171	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	826.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05748	1.6
71.33039	1.8
76.55566	1.9
77.45337	1.8
79.01894	1.9
80.04891	3.8
80.91776	1.8
86.56235	1.9
93.79476	1.9
94.02870	7.7
94.06503	3.5
96.95882	11.3
98.55770	2.2
106.06512	9.5
108.08098	2.5
109.02810	15.8
110.39859	1.7
116.92738	2.3
120.04468	3.7
120.08092	6.3
122.05988	23.8
123.04420	3.0
124.07600	2.4
129.04510	3.5
134.05995	53.7
136.07559	19.5
138.05496	3.4
148.04007	5.7
149.04735	15.7
150.05513	10.2
152.07072	46.8
152.08208	4.3
161.02394	7.5
173.03520	8.5
176.03439	9.1
191.04514	4.4
205.06277	2.2
211.12582	2.5
223.12505	2.9
227.11932	3.0
229.06285	3.8
238.11096	2.7
239.11816	2.4
249.10350	4.1
251.11957	12.1
252.12613	3.1
253.13557	9.0
265.06241	5.5
266.13138	4.6
268.14505	2.9
277.13409	3.3
278.10397	3.2
278.13034	3.2
279.11523	5.7
292.11145	2.7
306.12564	3.5
307.07260	3.2
320.14087	5.1
329.81003	2.4
338.11566	9.2
346.15546	3.4
348.17160	3.9
358.15845	2.3
370.14096	3.3
372.17215	2.7
384.17487	2.9
399.18915	4.0
414.20529	4.3
443.18329	3.4
444.19324	4.4
461.20270	2.4
467.20782	4.1
472.15863	2.6
472.22699	2.4
504.17896	6.6
562.47839	2.4
576.23206	3.6
620.22839	7.5
638.24091	4.9
651.24646	3.0
669.26184	14.0
716.27814	5.6
734.28394	4.0
748.29797	8.7
758.27625	4.6
766.31232	15.8
776.29218	13.4
790.30554	9.6
794.30005	14.0
808.32220	25.7
826.33167	100.0
827.32983	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	827.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46380	1.2
66.46685	0.7
68.40365	0.8
70.50159	0.8
79.05367	0.9
81.03298	1.6
83.04884	3.3
84.10514	0.7
93.03307	4.2
93.88861	0.8
100.03860	0.8
106.04115	8.8
107.04171	1.1
107.04885	22.4
107.05581	1.5
108.02039	1.5
110.55733	0.8
121.02848	2.0
125.05959	8.1
132.69891	0.9
151.03906	14.5
168.20201	0.9
169.04955	8.8
187.07751	1.0
213.09160	31.3
218.90529	0.9
257.08197	56.0
258.08493	1.5
275.09274	100.0
276.09653	2.2
313.21481	1.0
465.57837	0.9
537.35211	1.2
620.39935	0.8
628.12103	1.0
669.29492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76502	0.7
72.49412	0.6
78.93774	1.7
78.95758	100.0
78.97527	1.5
96.96827	11.3
121.82199	0.6
123.38515	0.7
129.05397	0.6
134.04587	9.2
150.74008	0.6
150.97871	0.7
158.92416	18.8
163.01544	6.0
165.07376	1.0
174.97842	1.0
180.71843	0.6
181.02670	1.5
190.02660	0.9
191.01050	5.6
208.03760	8.0
259.55093	0.7
260.74280	0.7
270.97849	0.9
272.95721	4.3
279.07578	1.0
305.08975	0.8
328.04446	1.3
339.03738	1.4
339.07861	26.3
346.05499	2.3
357.08942	6.3
381.09103	1.2
408.01175	3.3
419.04449	1.2
421.11978	0.8
483.12097	1.6
534.01202	0.7
563.08636	1.2
656.95453	0.8
723.15009	0.8
830.18469	30.0
831.19617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66992	1.8
61.94520	1.7
70.30630	1.8
82.95274	46.0
83.02358	3.3
84.00767	100.0
84.94939	2.5
110.43484	2.3
117.86208	2.0
123.24720	2.1
140.58403	2.0
153.49442	2.1
179.48964	1.9
180.56360	2.1
188.69044	2.1
249.18552	17.7
253.09515	2.2
277.21756	29.8
288.22400	2.3
293.79193	2.5
390.41953	2.3
509.93942	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	832.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.8
61.98687	0.8
68.85480	0.9
78.95776	4.8
94.39233	1.0
148.08859	1.1
152.99472	1.8
165.12758	19.7
175.11205	1.0
224.07010	1.3
242.07932	3.3
247.20644	9.4
257.22641	5.9
273.18585	5.1
285.81320	0.9
291.19684	100.0
292.19968	1.7
301.21756	43.5
359.70682	1.1
375.37210	1.2
449.06195	1.1
526.29449	29.1
607.75818	1.1
790.63135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37711	0.6
61.35012	0.6
108.04403	3.3
110.05958	1.3
120.04419	36.6
122.05907	0.8
130.02863	0.8
138.05499	7.4
150.05479	7.4
160.03888	1.1
162.05499	26.9
168.05222	1.5
168.06563	18.6
170.43831	0.7
186.01877	1.3
206.04530	18.1
206.06354	1.4
218.04533	2.6
219.05449	0.8
222.89124	0.9
267.11450	1.1
269.04636	3.1
311.10382	1.0
313.11853	1.3
329.11459	1.3
339.09940	3.1
341.11661	1.2
343.13049	1.4
357.10904	5.5
387.12006	100.0
388.12308	1.3
771.06537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99686	7.6
77.71870	6.7
78.19070	7.0
94.02843	18.3
96.00700	9.0
99.00765	12.0
120.08057	15.6
122.24794	7.1
124.00266	100.0
133.07605	8.1
149.73737	7.3
170.33923	8.8
174.03995	10.5
175.08627	11.1
187.08582	11.0
203.08212	16.3
219.07722	15.6
230.00392	7.4
231.07776	55.8
239.11966	10.0
257.02094	8.1
264.08990	11.1
267.73932	8.1
279.11432	26.8
280.12024	8.3
291.09918	17.4
311.14337	7.9
455.20947	7.7
622.86981	9.3
724.26471	22.4
756.29065	27.7
774.30670	18.4
784.28687	12.9
816.31213	56.0
834.32147	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87366	1.8
59.01239	9.4
83.04879	2.3
95.87344	2.2
97.06401	2.4
101.02303	4.6
109.06434	3.3
113.02280	2.3
123.07998	2.6
137.09563	2.5
158.80493	2.2
163.11192	5.8
177.53439	2.2
177.54918	2.6
185.11751	4.3
191.14369	7.7
207.10208	3.5
221.13788	1.9
225.11345	3.6
245.19135	12.5
249.18604	64.9
253.09262	12.2
271.17078	2.6
277.21790	6.9
284.69797	2.0
289.18124	100.0
296.15469	2.1
307.19165	31.2
407.69653	2.4
524.65936	2.6
525.27203	3.7
587.13959	2.7
710.19116	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	14.5
59.84792	2.0
71.01236	5.4
73.28150	2.0
76.32159	1.9
77.13749	2.0
78.58288	2.0
84.62044	1.8
89.02309	3.7
101.02285	6.1
111.08019	8.7
112.36381	2.3
134.48398	2.5
160.12875	2.6
171.10143	6.8
177.38092	2.5
197.11772	34.8
199.13345	3.4
209.15489	8.0
211.13365	2.8
223.17091	4.9
224.53882	2.2
225.08586	2.5
225.14917	5.8
233.15480	4.1
235.08223	3.8
249.18605	100.0
250.18884	3.2
251.16571	9.0
253.09305	20.5
255.23221	3.5
263.20209	3.1
273.18674	5.9
277.21762	5.6
291.19684	30.2
301.21790	6.3
309.20724	68.3
545.29211	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	837.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	16.1
59.01505	5.0
71.01265	5.5
95.32210	4.8
101.02304	9.5
105.31794	5.3
235.08076	8.0
249.18556	54.8
253.09482	25.3
263.16568	7.1
277.21744	100.0
281.17667	27.3
291.19693	34.1
309.20737	95.6
380.42337	5.5
443.73389	5.7
545.29828	17.1
628.68860	6.2
777.47644	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	837.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	9.5
61.35736	0.6
62.50667	0.6
67.24020	1.0
67.24313	0.6
69.19201	1.0
69.19512	0.7
69.54427	0.5
71.01235	4.0
73.02731	0.5
74.99827	1.4
75.00233	1.2
77.23524	0.6
79.16933	0.7
83.01220	0.8
83.04839	1.1
85.02782	1.3
89.02293	3.9
97.02796	1.0
101.02311	3.6
113.02267	2.4
119.03329	0.7
123.08048	0.7
125.09544	1.1
161.04372	1.8
163.11212	3.1
165.12732	5.9
166.09869	0.7
171.10156	1.3
179.05528	0.9
179.14258	1.7
181.12254	2.1
185.11775	0.6
193.15907	2.1
205.19691	0.6
209.11765	1.6
223.13300	2.5
235.08186	1.7
236.09038	0.8
247.17033	0.7
247.20618	7.4
249.18587	88.6
250.18932	1.9
252.28429	0.9
253.09271	13.4
263.19781	0.7
263.38559	1.0
273.18579	3.0
277.21799	0.7
278.85266	0.6
291.19678	96.2
292.19952	1.9
309.20734	100.0
310.21057	1.8
401.48007	0.6
527.28796	2.1
724.75995	0.7
756.57849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02855	4.2
71.01212	1.8
73.13969	1.8
74.02316	5.6
84.04388	7.1
94.90714	1.5
96.00766	6.7
96.81025	1.4
96.95903	2.1
98.02348	2.0
99.01857	2.9
99.05506	4.0
100.00271	4.8
102.05476	26.2
108.03130	3.8
111.00736	1.6
113.03427	6.2
113.07074	10.3
114.01846	5.3
114.05473	17.2
115.08640	11.4
122.09602	4.0
124.03915	2.3
125.07084	6.6
127.08636	14.6
128.03406	96.6
129.10214	8.9
136.03899	3.0
139.08655	3.6
141.06592	8.4
146.04482	16.3
150.70639	1.7
153.06599	28.5
155.08160	3.1
165.10217	24.9
166.08623	18.3
166.09808	6.6
167.04536	2.4
167.08154	11.9
167.11797	3.2
170.09222	9.3
171.07660	45.9
182.12897	2.8
183.11330	7.4
184.10796	2.4
191.08177	3.7
194.12961	3.1
195.11334	16.2
196.10844	3.3
200.14023	3.0
205.13368	5.4
208.10880	15.8
209.09254	23.7
211.07271	2.2
212.13983	25.1
226.11922	25.7
227.10333	12.7
244.12947	12.8
249.12433	5.7
256.13019	16.5
266.15051	4.7
300.12073	4.0
305.19656	2.3
310.17795	3.1
342.13058	15.0
349.18964	2.3
367.19901	27.4
371.34302	1.9
496.24075	39.8
594.23810	4.5
623.31189	2.3
675.30542	2.9
692.32404	2.9
710.33752	7.6
724.35370	6.4
791.36523	2.2
804.33435	2.5
821.36560	7.7
822.35736	8.9
839.37946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80042	2.7
59.29870	2.8
80.04921	5.8
92.04884	2.5
94.02835	3.2
94.06477	3.3
108.04398	18.7
110.05965	3.2
118.02836	5.1
120.04420	76.8
122.05984	30.3
132.04428	13.3
134.06000	4.5
138.05495	22.7
146.02362	14.7
147.03146	47.0
148.03935	48.7
150.05504	42.0
152.07066	18.8
160.03944	29.6
161.04733	4.8
162.05505	5.4
164.03467	4.6
168.06551	27.5
168.49365	3.3
174.05507	5.9
176.03459	11.8
209.10851	3.0
214.61835	3.2
221.68484	2.7
223.08926	3.7
235.08690	3.0
236.06007	3.8
237.06625	4.3
237.10410	5.2
247.08722	3.5
249.10336	3.4
251.08296	15.9
252.09041	7.0
261.10168	3.8
262.07410	4.7
263.08249	12.6
264.09134	13.2
265.07022	5.0
265.09763	30.6
267.11401	19.6
269.04626	9.2
276.09158	6.8
277.09766	23.6
278.10736	9.2
279.08096	4.7
279.11404	25.2
281.09576	3.5
283.10828	5.1
289.09872	4.8
291.07941	5.1
291.11313	7.5
292.12195	3.6
293.09460	9.1
294.10208	3.7
298.09393	3.5
311.10297	19.4
312.11197	4.5
312.89987	3.2
319.10764	5.8
323.10187	4.0
327.10181	3.6
328.10712	4.9
339.09924	6.7
340.10678	9.0
342.12195	7.2
354.12372	4.8
355.27655	3.1
356.14075	7.4
357.10965	16.0
358.15689	5.2
368.10330	5.5
370.11856	3.9
370.28162	4.1
372.13281	6.7
381.11026	3.5
382.11969	5.0
383.12466	4.1
384.13428	6.6
396.09848	11.0
396.14114	5.7
397.10611	5.6
408.13870	6.1
410.02805	3.1
410.11212	17.6
411.12363	10.5
412.13104	11.9
422.11462	10.0
424.12970	30.2
425.13766	12.9
426.14618	51.3
427.15375	7.1
431.32947	3.9
436.12708	7.0
438.14648	23.9
440.16214	5.1
442.17389	4.8
470.13773	9.2
517.19678	3.6
531.21277	3.3
533.42096	4.0
559.19708	7.5
589.20966	15.2
590.22357	8.1
603.18860	6.6
607.22058	8.6
608.22314	3.6
621.20215	19.1
633.19940	38.1
634.20612	14.9
647.39587	4.5
651.21124	73.0
652.21765	25.9
665.21985	21.2
666.23132	8.1
671.67761	3.4
683.23718	51.9
684.24786	22.5
778.26947	6.2
790.27618	29.2
808.28503	100.0
809.28943	10.4
822.30402	25.9
840.31207	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.7
65.12313	1.0
68.21531	1.0
71.74764	1.3
75.30040	1.4
80.04909	3.3
85.50959	1.2
91.73372	3.2
94.02841	1.3
96.95891	2.4
108.04403	6.2
110.05957	1.3
113.39069	1.6
120.04414	34.9
122.05989	5.6
132.04433	7.6
134.05945	1.8
138.05510	11.2
146.02353	2.0
147.03151	9.1
148.03938	10.8
150.05499	14.7
152.07047	5.3
160.03954	20.3
166.04993	2.1
168.06544	14.9
174.05428	1.9
176.03470	3.9
186.04303	2.7
190.05038	3.4
237.06654	2.5
237.10463	1.6
238.07275	2.3
239.08192	10.6
239.11859	1.9
249.10272	2.0
251.08241	7.9
252.09019	10.0
263.08365	2.1
264.09268	2.3
265.09833	17.0
266.10571	1.9
267.11417	28.6
268.11404	1.5
277.09769	8.9
278.10583	3.6
279.11401	3.9
281.09332	2.1
291.11493	2.0
311.10382	73.5
312.10800	2.9
313.11908	1.6
319.10822	3.6
323.10077	2.4
324.92166	1.6
327.09958	1.9
328.10593	1.8
340.10925	2.3
342.12289	1.7
357.10867	5.5
368.10477	1.6
371.12698	2.8
372.13306	2.7
382.11853	1.9
384.13489	8.3
385.14374	1.8
394.11975	1.9
395.12698	2.9
396.13834	2.2
398.15198	3.1
404.10901	1.7
409.10455	1.7
410.11337	1.9
411.12177	3.7
412.12732	2.3
424.13135	6.1
425.13693	5.8
426.14749	13.2
428.16110	2.3
436.13107	2.5
438.14597	11.1
450.14661	1.8
492.34961	1.8
521.21661	1.6
561.21478	3.3
565.20667	1.9
589.20984	19.2
607.21985	6.9
621.20563	4.3
633.19922	12.9
651.21149	47.2
652.21796	3.4
653.22369	5.2
665.22534	17.6
666.23505	2.9
683.23645	100.0
684.24347	9.4
808.29028	4.3
822.30078	3.7
840.31543	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	840.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97272	1.1
61.98694	100.0
61.99973	1.7
65.08025	0.7
67.30865	0.7
68.87283	0.7
72.46591	0.7
87.46457	0.7
91.70074	0.8
105.09648	0.6
116.03888	0.7
191.52962	0.9
249.18735	2.4
250.18900	2.1
251.19240	0.8
291.19681	1.9
292.19931	2.2
309.20728	2.2
310.21149	1.9
456.66061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86010	0.2
74.02307	0.6
79.95605	2.4
86.02291	0.4
88.10815	0.3
90.46882	0.3
96.93576	1.1
96.95869	100.0
96.98509	1.3
99.05508	0.8
121.02856	0.3
128.03407	2.9
132.44005	0.3
143.04495	3.6
146.04485	0.4
183.99298	0.3
210.08766	0.4
236.86053	0.3
241.01581	0.3
254.07788	0.9
272.08905	9.8
287.12848	0.3
310.03607	0.9
315.77106	0.3
468.69562	0.3
471.12778	3.3
744.22363	1.5
782.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	7.2
60.59607	0.2
63.02274	1.1
63.02531	0.2
65.00191	0.6
68.99665	0.3
70.50217	0.2
71.00870	0.4
71.01240	4.8
72.99157	0.7
73.02797	0.8
75.00732	2.4
77.52801	0.2
83.01242	0.6
85.02804	11.8
85.15363	0.3
87.00725	1.8
89.02291	1.2
90.64777	0.2
93.03279	0.3
95.01250	3.1
99.00731	4.2
99.04378	5.4
101.02298	2.1
103.00237	2.1
105.03352	0.2
106.95183	0.2
107.01249	1.3
111.00723	0.4
113.02306	21.3
115.00240	0.8
117.01833	1.3
117.03318	3.3
118.96335	0.2
121.02835	0.2
125.02312	1.5
129.01851	1.0
143.03354	0.3
149.02312	0.9
151.00252	1.5
157.01282	0.5
159.04401	1.2
161.02338	0.7
161.04466	0.4
169.06438	0.4
175.02391	11.2
175.03926	0.5
181.06482	0.7
183.04433	0.9
196.05302	0.3
197.06027	0.5
201.05484	0.7
224.04649	0.4
225.05450	1.2
227.03558	0.7
261.13452	1.9
268.92706	0.9
269.04565	100.0
270.04962	2.2
303.14539	0.9
405.17679	5.3
445.07788	25.0
446.08170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34735	0.8
61.38433	0.7
69.03320	1.8
69.55896	0.9
71.01237	1.6
72.02010	1.5
73.02805	2.1
84.64747	0.8
85.54401	0.9
85.54842	0.8
87.04368	8.6
87.32153	0.9
97.06458	4.9
103.90337	0.9
111.08012	3.8
113.09601	1.7
139.07512	1.2
149.13210	1.5
185.26306	1.0
189.12766	1.0
205.16025	2.0
207.13795	1.6
223.16963	6.4
249.22269	2.0
250.15625	2.0
251.16458	10.4
252.17317	4.0
277.21732	3.6
284.16269	9.5
285.22287	1.7
291.23367	1.1
293.21289	1.8
293.24808	1.6
303.23251	8.2
321.24362	100.0
322.24719	2.2
365.23337	44.1
424.16379	3.6
425.16656	4.3
523.31323	1.2
526.13470	1.2
721.89514	1.2
854.09326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47348	2.1
74.60134	2.4
78.95756	17.8
84.66046	2.4
111.94957	2.4
152.99533	3.7
157.60023	2.4
168.04288	6.0
174.64290	2.5
203.18036	3.2
219.78358	3.1
224.06952	10.6
257.22791	4.6
301.21732	74.8
311.29584	100.0
350.83493	2.9
435.79340	3.0
501.30371	3.2
536.37256	92.3
537.37964	3.7
656.25140	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	855.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18559	8.6
71.01232	73.6
83.34441	9.3
89.02296	70.0
94.02833	52.4
101.02262	11.6
113.02300	19.8
120.04443	24.3
120.08056	48.0
122.05983	17.9
132.04308	10.8
134.06021	55.4
138.05489	29.4
150.05504	52.6
154.37592	10.6
190.04942	21.2
209.44737	12.0
227.08205	10.8
237.10263	19.3
251.08386	17.6
251.12029	19.9
261.84702	10.4
264.09100	35.2
265.09671	22.0
277.09821	36.3
278.10629	26.5
279.11331	100.0
285.65332	15.2
289.57016	13.3
291.11316	24.1
292.12149	15.8
321.27838	13.4
323.10391	18.0
324.11169	13.5
328.98840	11.4
384.52673	12.2
400.16666	14.7
410.15262	14.2
424.16791	22.8
425.17484	14.0
469.16522	22.7
486.16757	17.5
539.14099	12.5
591.14392	13.4
625.23206	28.5
643.24200	35.0
657.25702	30.3
675.26691	71.9
698.25629	26.8
763.28729	16.2
787.29395	16.8
795.31689	56.1
805.29785	41.1
823.30060	70.8
837.32214	39.9
855.33301	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36472	0.9
61.97412	1.7
61.98694	100.0
72.10738	0.9
78.99915	1.1
81.74189	0.9
91.73010	1.4
122.43415	1.1
165.12354	1.0
209.11807	1.2
242.39195	1.2
499.28394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.94398	1.4
76.73071	1.6
78.38216	1.6
79.41328	1.5
86.02316	2.2
86.49024	1.8
106.06516	5.1
110.52503	1.7
120.01129	4.0
122.05946	2.2
127.08610	2.4
128.03413	23.5
134.05989	10.3
136.07544	6.7
141.68149	1.8
146.06042	2.3
165.55507	1.8
171.05516	2.2
171.07678	7.1
178.58287	1.9
189.51891	1.8
204.29906	2.0
210.86064	2.0
213.10329	8.3
224.15698	1.7
225.10350	3.0
231.04352	3.1
237.10825	2.2
239.11754	4.4
239.31046	2.0
241.13446	6.9
249.05484	13.1
251.08214	2.3
251.11948	7.2
253.13527	6.6
267.11426	22.5
279.11429	14.7
285.12454	15.2
297.12708	2.4
372.17078	3.0
565.24945	8.3
609.23608	100.0
610.24176	3.2
761.54510	2.1
875.01068	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	859.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77654	1.3
79.22034	1.2
86.02318	3.3
94.81494	1.3
96.95904	1.6
98.02773	1.4
106.06497	10.1
120.04438	1.8
122.05981	2.0
125.86831	1.4
127.08656	4.8
128.03407	28.7
132.04410	1.4
134.05981	23.1
153.06598	2.4
160.06317	2.2
171.07671	10.7
187.43306	1.5
188.00035	1.5
190.99460	1.5
213.10277	8.3
223.08676	1.9
231.04456	2.6
237.10544	1.8
238.11050	3.5
239.11877	7.3
241.13396	8.0
249.05533	16.3
251.11855	2.6
251.53305	1.6
253.13416	6.9
267.11420	19.0
279.11389	12.0
285.12482	22.5
356.18048	3.0
374.18948	1.6
532.82135	1.7
565.24860	4.2
609.23566	100.0
610.24060	2.1
672.51447	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	861.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
75.80518	0.6
85.52572	0.7
89.74586	0.7
92.29063	0.7
93.03277	1.2
94.14745	0.7
98.28817	0.7
100.03159	0.6
101.65884	0.7
107.04877	2.8
110.87207	0.6
119.04834	0.7
121.02825	7.9
122.03605	1.2
124.44636	0.6
136.01572	0.9
143.05002	0.8
147.00610	0.8
179.86877	0.7
195.04433	0.9
197.06033	3.0
209.06065	1.9
210.06871	1.1
211.03883	0.8
211.07579	1.0
212.04752	1.0
221.34930	0.9
224.04791	9.4
225.05611	3.2
226.06325	0.8
240.04208	4.3
241.05090	0.9
329.08237	1.2
330.08734	1.9
331.09775	2.2
363.13748	0.9
405.14929	0.9
409.14740	1.0
423.16095	17.7
437.13971	100.0
438.14172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
73.32883	0.2
74.22695	0.2
78.92616	0.2
78.97710	0.2
88.64191	0.2
91.73286	0.3
93.03310	1.4
93.03835	0.2
94.82786	0.2
107.51772	0.5
107.52515	0.5
108.02036	0.5
109.02801	0.5
111.11237	0.5
114.58818	0.2
119.04895	0.4
121.02826	8.4
122.03597	0.8
123.04357	0.7
169.06427	0.6
181.06596	0.4
182.07272	1.0
183.08170	0.4
193.06462	0.8
194.07291	0.4
195.07983	0.2
196.05229	1.4
197.05989	1.6
198.06789	4.0
206.07324	2.6
208.05293	0.7
209.06023	4.2
210.06807	7.9
211.07581	2.4
212.08337	0.6
213.05475	0.3
213.09192	0.6
223.07642	0.4
224.04764	0.7
224.08289	0.3
225.05504	2.1
226.06349	1.9
227.07097	0.6
230.05862	0.5
242.05902	0.7
252.23454	0.2
282.03915	0.3
298.09976	0.9
299.10739	1.3
300.11542	0.3
301.12296	0.4
303.10229	0.3
313.08765	0.3
315.10236	1.4
316.11163	0.7
317.08374	0.3
317.11749	2.1
331.09805	0.6
332.10767	0.5
393.14993	0.3
403.13388	6.3
403.18445	0.5
404.13953	1.2
405.14948	3.2
421.14496	4.5
422.15240	2.5
423.16055	56.3
424.16251	1.7
437.17599	100.0
438.17996	2.2
467.38251	0.3
599.05261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
73.60022	1.3
80.08801	1.4
93.03301	2.6
97.61482	1.4
117.47321	1.7
121.02836	13.4
126.94473	1.7
136.01561	4.8
167.05440	1.6
167.11787	1.4
181.06415	1.7
195.08113	2.2
196.39864	1.6
197.06070	1.9
209.06046	2.6
210.06825	3.1
211.07591	3.5
212.04617	1.5
212.08383	2.8
225.05641	2.9
226.06325	13.7
227.07069	3.2
244.07602	1.8
258.05353	1.9
262.11057	1.8
299.10837	4.2
315.10080	1.9
317.11667	1.8
331.09714	1.7
333.11447	8.8
405.15048	2.5
423.16064	90.0
439.15536	100.0
440.15787	2.8
673.96423	1.9
842.71399	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	863.323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81407	1.5
77.15055	1.5
90.80029	1.4
98.29233	1.7
112.02161	1.7
119.71875	1.7
121.02834	12.3
136.01535	2.6
197.06065	2.1
211.07596	2.2
224.08582	2.3
225.05623	2.5
226.06334	11.9
227.07066	2.9
258.05356	2.4
295.93079	2.0
299.10587	3.5
315.10342	4.4
317.11798	3.1
333.11334	7.0
405.14883	4.0
423.16046	87.3
424.16498	2.7
439.15518	100.0
440.15860	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	865.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
72.44825	1.4
81.03336	1.9
83.04872	5.7
93.03328	2.5
107.04887	4.1
113.07923	1.1
119.04910	3.0
123.49401	1.2
125.05955	11.0
169.04909	6.3
187.07642	2.1
207.03493	1.3
213.09181	2.5
243.03409	1.4
245.04948	2.7
257.08209	2.7
267.03445	6.1
269.04987	100.0
270.05450	1.6
275.09189	6.9
282.01987	2.3
285.04535	1.2
287.06039	31.0
295.03067	4.3
295.06400	2.6
300.02844	1.3
313.03986	85.3
314.04193	1.5
315.58481	1.2
331.05020	5.5
357.02924	7.4
357.93008	1.4
359.09747	1.5
377.10880	3.1
395.11862	3.1
407.06982	1.2
421.09760	2.2
447.07849	1.6
465.13901	8.6
483.15085	6.3
501.16034	1.5
509.12860	15.1
527.13959	21.2
542.19141	1.3
545.14954	10.1
553.11816	22.0
571.12775	2.7
589.14008	8.7
865.23572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
73.19149	0.9
74.36472	0.9
78.31182	0.9
108.02016	1.0
121.02829	2.7
177.50848	1.0
179.98698	1.1
195.08093	3.5
209.05975	8.8
210.06824	7.2
211.07483	1.1
212.08449	1.7
224.08430	2.1
242.05779	2.2
269.04517	1.9
274.64026	1.1
276.42667	1.3
293.28452	1.1
298.10025	3.1
299.10657	4.8
300.11548	2.4
301.11795	1.1
317.11752	1.4
339.09958	1.6
341.11514	2.6
405.14984	11.9
415.13376	1.4
417.15244	1.1
423.16049	34.6
424.16534	2.0
427.13419	2.4
444.13385	3.5
445.14221	100.0
446.14474	3.8
476.12341	4.1
606.80566	1.4
608.76123	1.1
620.88281	1.1
649.21179	1.4
770.67169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87479	2.0
63.46386	1.9
78.49707	2.2
79.89894	2.2
80.04918	3.7
96.47944	2.1
104.04922	2.6
108.04413	5.6
120.04421	26.3
121.19947	2.2
122.05980	7.5
123.48111	2.6
138.05490	10.6
150.05478	19.1
152.07100	3.5
168.06557	13.7
174.05630	2.7
190.05150	3.2
201.10228	5.3
213.10342	3.0
223.08751	3.1
227.11845	3.3
229.09796	8.2
229.13480	3.4
255.11302	3.4
257.13120	3.8
261.12622	3.4
273.12482	3.3
277.09772	4.3
278.10663	3.1
289.12259	2.6
295.10776	3.0
301.11954	7.4
311.10342	3.9
319.13028	41.1
323.11194	2.6
339.09848	7.4
356.14029	3.6
371.12753	3.6
374.15054	9.9
392.16089	11.6
416.15991	6.1
434.17218	6.4
552.19733	4.3
573.23511	3.6
579.22559	3.3
597.23419	7.5
615.23956	3.0
629.21783	3.2
641.22479	12.0
659.23804	34.1
661.25140	6.1
673.25287	19.7
691.26257	100.0
839.29547	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	883.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96650	10.2
74.62376	11.3
78.52861	10.2
91.72984	11.8
299.11212	13.7
339.48129	14.3
423.15961	100.0
449.92343	13.3
558.86597	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	885.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44200	3.0
86.23592	3.2
92.12941	4.4
124.20789	3.4
163.70436	3.5
190.40779	3.2
195.08167	4.4
209.06070	12.1
210.06786	7.4
299.10889	11.5
317.98508	3.9
354.13568	3.7
405.14948	11.4
423.16083	100.0
424.16351	6.2
460.28104	3.9
461.11615	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78654	0.4
70.02837	14.8
72.67013	0.3
76.41327	0.3
93.03294	1.5
96.00770	17.8
101.02328	0.4
106.04105	7.2
106.06503	2.0
108.02023	0.9
114.01834	40.9
114.05222	0.5
118.06477	2.7
119.04889	1.3
130.06494	0.4
138.03119	0.7
141.16336	0.3
144.04414	0.5
145.05206	0.9
158.05975	0.5
158.98874	0.4
160.07576	4.3
170.09663	0.7
186.05540	0.7
194.09662	0.5
203.08270	2.3
210.09200	1.9
212.02969	0.3
212.10762	20.2
222.09126	0.5
224.10753	6.1
238.12244	0.7
255.99463	0.4
256.09793	26.5
257.09918	0.5
259.51950	0.3
266.11804	0.7
267.11423	1.0
268.09781	1.1
278.69000	0.3
309.12451	5.6
327.13525	3.2
353.11307	0.4
371.12497	100.0
371.32837	0.8
372.12872	1.6
496.04138	0.3
573.88556	0.7
653.98163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
72.38590	3.2
94.02844	16.4
108.04449	5.3
110.65081	3.9
120.04425	28.5
120.08054	14.2
138.05487	19.2
150.05492	16.4
168.06586	13.2
186.91531	4.2
193.03476	5.9
199.69785	3.9
223.08598	6.0
225.10573	4.3
237.10429	7.4
251.08203	4.5
264.08939	7.0
265.10034	4.1
277.10049	7.5
279.11490	25.0
280.11664	4.5
281.12836	4.9
285.04102	17.7
291.11426	6.3
305.09015	5.0
319.87628	4.7
323.10248	6.5
430.17709	7.3
486.16586	6.1
487.17795	7.9
536.20544	11.9
633.25824	11.2
643.24994	19.0
653.64539	4.7
661.25098	36.4
663.26727	7.9
675.26917	25.4
693.27869	100.0
789.33099	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	891.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02249	1.1
63.56272	0.2
65.00209	0.6
67.01772	0.2
71.01234	3.7
72.99155	0.8
73.02795	0.5
73.65343	0.2
75.00726	1.8
75.17416	0.3
78.49608	0.3
83.01256	0.3
85.02800	9.7
85.15411	0.3
87.00734	1.5
87.02658	0.3
89.02288	1.4
93.03366	0.4
95.01239	2.6
99.00735	3.8
103.00224	1.7
105.03307	0.4
107.01244	1.6
113.02308	19.7
115.00222	0.8
117.01808	1.5
117.03309	3.2
121.76581	0.2
126.71626	0.3
129.01822	1.1
129.71954	0.2
149.02309	1.7
151.00217	1.4
157.01262	0.6
159.04402	1.3
161.02303	1.1
169.06453	0.7
175.02388	10.2
175.03932	0.5
181.06432	0.5
183.04393	1.0
196.05247	0.4
197.06090	0.7
201.05510	1.1
203.55473	0.3
207.70863	0.3
225.05406	1.8
227.03516	0.7
268.92914	0.9
269.04568	100.0
270.04877	2.1
364.99945	0.3
375.60620	0.3
445.07791	21.2
446.07971	0.4
648.58862	0.3
756.57330	0.4
912.86438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25784	0.4
65.54995	0.4
71.01241	0.8
83.01274	0.8
85.02811	1.3
88.51987	0.4
89.33191	1.0
89.33723	0.8
98.05778	0.5
107.01263	1.4
112.22378	0.4
113.02305	1.1
128.21236	0.4
133.02820	7.0
133.66350	0.5
149.02327	1.5
151.00258	3.9
175.03897	2.4
197.05983	0.6
199.03990	2.3
201.01878	0.8
217.05020	1.2
219.84348	0.6
241.05115	1.1
243.02943	0.7
256.03763	0.5
257.04660	0.7
261.41098	0.5
284.03235	1.6
285.04053	100.0
286.04422	2.5
461.07285	35.8
462.07718	1.0
479.08383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74385	0.4
68.67337	0.4
71.01239	5.3
72.99165	1.1
73.02787	0.8
73.88618	0.4
75.00727	2.5
83.01257	0.6
85.02804	11.9
85.15398	0.5
85.66454	0.4
87.00741	1.7
89.02309	1.8
89.22176	0.4
95.01228	2.7
99.00732	3.4
99.03731	0.7
99.04373	14.1
101.02302	4.3
103.00226	1.8
107.01234	1.7
111.00739	0.4
113.02306	20.2
114.59508	0.4
117.01775	1.5
117.03325	2.9
120.38554	0.5
125.02303	4.4
129.01762	0.9
139.51428	0.5
143.03374	0.7
146.11137	0.4
149.02328	1.0
151.00276	1.5
157.01283	0.4
159.04413	1.2
161.02298	1.0
161.04507	0.8
175.02377	9.9
183.04407	0.5
190.33574	0.5
197.05904	0.5
201.05453	0.7
225.05676	1.0
227.03419	0.5
269.04568	100.0
270.05026	2.3
271.05325	0.5
307.17691	2.2
349.18616	3.7
389.21799	0.7
445.07788	26.1
446.08023	1.0
451.21878	15.5
452.22070	0.5
626.71735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99397	0.1
82.12199	0.1
86.78365	0.1
93.03310	0.7
106.04084	0.4
107.04881	0.3
108.02006	0.2
109.02799	0.7
119.04955	0.2
121.02818	3.9
123.04351	0.4
136.01547	0.7
137.02357	0.8
156.05710	0.2
158.74701	0.2
167.08606	0.2
169.06465	0.3
170.07236	0.4
182.07288	2.1
183.08078	0.9
184.05295	0.2
193.06480	0.2
195.08083	0.2
197.06123	0.8
198.06808	1.2
199.07553	0.4
207.08171	0.2
209.05940	0.2
210.06764	0.8
211.07607	2.4
212.04730	0.2
212.08429	0.2
214.06337	0.5
225.05510	0.7
226.04100	0.4
226.06317	5.7
227.07066	0.6
238.06175	0.2
238.80452	0.2
239.07280	0.2
250.06087	0.5
251.06834	0.2
258.05240	1.0
265.86008	0.2
266.05444	0.2
267.06311	0.2
275.10846	0.2
287.10846	0.3
299.10608	0.2
301.12277	0.3
302.13165	1.7
303.10226	0.4
307.87018	0.2
313.08624	0.3
314.09204	0.3
315.10071	0.2
317.11813	0.3
325.08423	0.4
326.09235	0.9
327.09930	0.3
331.09818	0.2
334.12045	1.1
341.07977	0.2
342.08841	0.4
343.09341	0.2
354.08801	0.8
355.09656	0.2
358.08099	0.3
365.15530	0.3
370.08243	1.3
386.07904	0.4
387.13776	0.4
389.15640	0.2
393.14822	0.3
405.14819	0.6
415.13058	0.4
417.14703	2.3
419.12802	0.3
421.15039	0.2
433.14224	2.6
439.15564	0.3
443.12689	0.6
461.13736	100.0
462.14066	2.1
519.59491	0.2
575.11792	0.2
794.41882	0.2
813.00616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	0.5
65.71474	0.3
71.01241	2.5
72.99166	0.5
75.00717	1.2
83.01244	0.4
85.02810	5.6
87.00745	0.8
88.48605	0.3
89.02306	0.4
89.33186	0.6
89.33656	0.4
91.72807	0.4
95.01234	1.3
99.00719	2.0
99.04346	0.7
101.02316	0.6
103.00192	0.7
107.01242	1.2
108.96365	0.3
113.02308	10.0
115.00223	0.5
117.01820	0.7
117.03313	1.4
118.97945	1.0
119.04864	0.5
121.02789	0.4
123.07535	0.3
125.02325	0.7
133.02824	2.0
136.98737	0.4
137.02324	0.4
143.04910	0.4
145.02777	0.4
149.02316	0.9
151.00272	2.4
165.01799	0.4
169.06395	0.4
171.04474	0.5
175.02385	4.5
175.03905	1.1
177.01900	0.4
185.05956	1.0
187.03902	0.7
192.00610	0.6
193.48370	0.4
197.05963	0.6
199.03946	1.1
211.03896	0.6
213.05568	2.1
215.03380	0.4
215.53836	0.3
217.05038	0.9
222.82338	0.3
229.05026	0.6
236.04401	0.3
239.03452	0.8
241.04903	1.5
243.02808	0.4
255.03044	0.9
256.03564	0.6
257.04510	0.8
267.02924	1.0
268.03754	4.5
269.04568	16.8
270.04987	0.5
273.89856	0.3
283.02420	0.8
284.03070	1.0
285.04059	100.0
286.04504	1.6
327.05194	0.7
357.06064	0.6
445.07767	3.5
461.07303	28.5
461.20465	1.3
462.07687	0.4
534.59753	0.3
535.28479	0.4
658.91797	0.4
875.77893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31833	0.6
76.77588	0.5
85.02788	0.7
91.54236	0.6
99.00729	0.7
107.01231	1.2
113.02332	0.6
117.01785	0.6
133.02829	7.2
138.25385	0.6
143.92297	0.6
149.02335	1.5
151.00258	4.1
160.17255	0.6
175.02509	0.6
175.03972	2.3
187.50839	0.6
198.79050	0.6
199.03995	2.4
217.05054	1.6
243.02994	0.8
284.03336	1.3
285.04059	100.0
286.04404	2.0
461.07291	33.9
462.07849	0.9
479.08224	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	907.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02230	1.3
65.00167	0.8
69.21595	1.2
69.21938	1.0
71.01234	5.4
73.02785	1.2
75.00692	0.5
83.01216	1.5
85.02801	9.8
87.00739	3.1
89.02274	2.0
91.11530	0.5
95.01187	1.9
99.00712	1.4
99.04378	15.0
100.04678	0.6
101.02306	4.9
103.00173	1.5
107.01186	2.2
110.80704	0.6
113.02308	11.9
115.00204	0.8
117.03292	2.3
118.97890	0.7
119.03304	0.7
120.66190	0.5
125.02309	6.8
129.01775	0.6
133.02820	2.8
143.03349	1.3
149.02260	1.8
151.00206	2.4
159.04340	1.1
161.02309	1.4
161.04395	1.4
169.06461	0.7
173.47859	0.6
175.02414	8.4
175.03822	1.1
178.48180	0.6
183.04338	0.7
185.05997	1.5
192.00560	1.1
196.05162	0.7
197.06064	0.8
199.03914	1.0
213.05550	2.5
217.04965	1.2
225.05507	1.6
227.03381	0.7
229.02782	0.6
229.05002	1.6
241.04947	0.9
255.03134	1.0
256.03360	0.8
259.82495	0.6
268.03754	8.3
269.04562	89.9
270.04868	5.3
271.05170	1.5
284.03149	1.6
285.04053	100.0
286.04449	4.7
317.15909	3.5
327.05090	1.4
357.06213	0.9
359.17026	4.3
399.19977	1.1
417.21295	1.0
434.97162	0.7
445.07828	19.3
446.08109	1.5
447.08740	0.9
459.19077	0.7
461.07294	34.2
461.20306	15.9
462.07837	1.8
500.82419	0.6
600.69617	0.7
660.36609	0.7
712.53137	0.7
739.06824	0.7
751.75739	0.7
771.16113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51602	0.7
72.44379	0.7
93.03296	1.4
94.74516	0.6
107.04902	1.5
121.02818	11.8
136.01523	4.2
169.06477	0.8
195.62817	0.8
197.06018	1.8
199.07564	1.2
209.05923	1.0
211.07680	2.1
219.81816	0.7
225.05566	4.2
226.06303	11.5
227.07130	2.6
242.05789	1.3
258.05386	3.1
315.10239	1.7
324.73755	0.8
332.10678	1.3
333.11331	8.8
356.23709	0.8
439.15543	100.0
440.15939	4.6
454.14224	1.0
469.16577	8.2
470.16782	1.0
775.40948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.2
71.01237	36.1
72.99186	1.1
73.02805	44.7
73.04364	1.1
79.05415	2.9
81.03339	3.9
83.01241	10.7
85.02812	7.1
87.00749	1.3
89.02296	26.9
90.98822	0.9
95.01302	2.6
97.02816	1.3
97.06480	2.0
99.00755	1.2
99.01704	1.4
99.04375	100.0
100.99586	1.1
101.02303	72.6
109.06487	3.2
113.02304	26.7
113.05921	6.1
119.03371	14.3
123.04388	32.8
125.02311	59.5
131.03380	5.2
141.05437	6.5
143.03368	14.9
149.04471	9.1
153.05424	5.8
155.03400	1.4
161.04449	50.6
166.08566	1.0
179.05518	14.4
179.06781	1.2
184.81194	1.1
203.05579	2.2
203.25362	1.0
221.06613	8.6
233.06715	3.0
261.09842	2.2
263.07736	16.1
323.09854	50.7
336.52319	1.9
429.21490	4.1
473.20316	89.8
474.21362	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	909.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35605	0.4
93.03327	1.4
119.04904	0.7
121.02820	3.4
122.03571	0.6
144.76135	0.6
195.08086	0.6
196.05203	1.6
197.05995	1.1
198.06775	0.7
206.07251	0.7
207.08159	0.9
209.06015	1.4
210.06789	4.0
211.07581	2.1
212.08427	4.6
223.07475	0.6
244.07388	1.0
249.18587	1.8
299.10736	1.8
315.09961	0.7
317.11905	2.2
402.70914	0.5
405.15063	1.5
423.16049	100.0
424.16357	1.3
590.95581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20729	1.1
71.01239	6.7
72.57444	1.2
72.84893	1.0
72.99207	1.7
73.02823	2.8
75.00751	5.0
80.62720	1.1
83.01286	1.5
85.02806	16.8
85.03219	1.6
87.00746	2.0
89.02332	2.7
95.01286	2.6
96.95898	2.7
99.00777	4.4
99.04405	5.1
101.02315	3.7
102.80968	1.3
103.00233	2.3
105.64958	1.2
111.81237	1.4
113.02303	33.0
115.00320	2.1
116.34276	1.2
117.01852	1.9
119.03401	1.4
125.02358	1.8
161.04471	1.6
175.02412	12.5
196.52420	1.3
215.99573	1.2
256.03851	5.3
263.07846	1.5
284.03275	100.0
299.05618	99.6
323.09802	1.6
375.28125	1.5
397.90860	1.4
473.20358	3.4
474.20731	2.0
475.08835	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	913.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00173	1.0
65.18197	0.4
71.01224	1.3
77.84037	0.5
78.21744	0.4
83.01242	0.9
83.43668	0.5
85.02787	1.7
86.95543	1.4
86.96110	0.9
91.18813	0.4
91.72684	1.1
95.01234	0.7
98.21664	0.4
99.00683	0.9
102.98188	0.4
105.03329	0.5
107.01218	1.9
112.01433	0.5
113.02306	3.3
115.70248	0.5
117.03336	5.1
149.02324	4.6
151.00269	5.3
159.04364	1.0
169.06488	0.5
175.02370	1.2
181.06523	1.0
183.04407	1.3
201.05565	0.9
224.04652	0.7
225.05484	2.3
227.03456	0.7
260.73682	0.5
268.03784	18.0
269.04568	100.0
270.04984	2.3
281.04495	1.5
282.05359	0.6
283.06097	1.3
285.04068	1.3
291.02747	11.8
303.02850	0.5
309.03952	0.6
311.05624	4.6
320.63162	0.5
323.05585	0.8
333.04053	1.0
341.06631	1.0
353.06940	0.6
445.07935	1.8
467.05966	68.3
468.06339	1.9
658.80798	0.6
659.79706	0.6
660.05005	0.6
797.61609	0.6
913.14758	6.7
914.14172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83318	0.7
75.87881	0.7
109.02857	0.8
113.34557	0.7
118.89909	0.8
121.02855	3.9
130.80571	0.8
136.01555	1.0
142.83694	0.7
168.72281	0.8
182.07281	1.4
182.51727	0.7
183.08075	0.7
197.06023	1.4
198.06783	2.6
211.04047	0.8
211.07608	1.9
226.06345	4.8
258.05368	1.8
302.13098	1.3
334.11948	1.2
378.98727	0.7
386.05515	0.8
433.12006	2.1
439.15326	1.8
448.97330	0.7
449.11661	2.6
477.11118	100.0
478.11478	3.0
569.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50652	0.4
70.11799	0.5
71.00870	1.0
71.01235	11.5
73.02805	10.8
74.25486	0.4
75.00716	2.0
80.57791	0.5
81.03302	1.9
81.26673	0.5
83.01230	3.3
85.02808	11.1
87.00705	1.7
87.44694	0.5
88.24576	0.5
89.02297	6.4
92.72702	0.5
95.01230	1.7
96.41216	0.6
97.06474	0.5
99.00736	3.8
99.04375	27.5
101.02302	19.9
103.00217	1.6
107.01263	1.1
109.06389	0.6
112.09821	0.5
113.02303	26.9
113.05927	1.1
115.00198	1.0
117.01814	1.1
117.03327	3.2
119.03362	3.2
123.04382	6.8
125.02312	17.5
129.01796	1.2
131.03384	1.8
135.04262	0.6
141.05467	1.2
143.03366	3.8
143.04961	0.5
149.02362	1.8
149.04440	3.7
151.00252	2.0
153.05460	1.4
159.04376	0.8
161.02336	0.7
161.04454	7.4
161.11751	0.6
167.55882	0.5
175.02402	8.6
179.05528	1.6
183.04388	1.0
203.05533	0.7
221.06628	3.1
225.05544	2.2
227.03502	1.0
266.53024	0.6
269.04568	100.0
270.04938	1.8
323.09821	0.9
326.53000	0.7
345.12314	0.6
429.21509	4.0
445.07797	24.1
446.08435	0.7
458.84671	0.6
473.20325	38.6
474.20923	1.1
640.38318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	6.2
73.02786	1.1
75.00732	2.8
85.02811	18.4
87.00734	2.8
89.02289	1.1
95.01237	2.9
96.95867	1.7
99.00759	6.2
103.00244	2.9
113.02308	32.1
115.00243	1.1
117.01811	2.2
131.42961	1.2
151.00253	1.4
175.02405	15.9
200.68047	1.1
256.03738	4.2
269.04535	16.9
284.03265	84.6
285.03897	1.5
299.05609	100.0
300.06097	1.7
445.07758	2.7
475.08829	64.3
527.03467	1.0
660.64935	1.2
782.70544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	7.7
72.99171	3.3
73.02798	2.4
75.00729	3.9
85.02806	16.4
85.43610	1.6
87.00737	3.5
89.02301	2.6
91.73325	4.4
95.01226	3.9
96.95885	3.5
99.00736	9.0
99.04369	4.5
101.02277	2.2
103.00236	5.3
111.98221	2.1
113.02309	33.6
113.85094	2.1
117.01857	2.4
137.49269	2.8
175.02411	17.1
188.04561	2.1
256.03915	3.8
269.04630	22.1
270.04858	5.3
280.18179	2.3
284.03268	93.6
291.01990	2.4
299.05627	100.0
300.05981	2.2
445.07782	3.9
475.08841	75.6
475.15790	3.6
492.47061	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	934.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76996	1.0
78.95734	1.1
99.25375	1.2
121.02814	3.6
129.67896	1.3
189.35997	1.5
225.05505	9.9
226.06300	3.7
235.55803	1.7
241.21724	4.9
331.09805	4.2
437.13745	2.5
438.14780	17.8
453.17096	100.0
454.17758	2.6
466.29465	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	935.283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	0.4
71.01224	0.6
72.99143	0.2
75.00737	0.3
77.27293	0.1
83.01236	0.3
85.02801	0.9
87.00716	0.2
89.02302	0.2
89.33249	0.2
95.01203	0.1
97.02826	0.2
99.00742	0.4
103.00216	0.2
107.01235	1.0
113.02303	0.9
115.00204	0.2
117.01775	0.2
121.02910	0.2
125.52324	0.1
132.98604	0.1
133.02821	5.9
149.02345	1.6
151.00269	4.0
151.01491	0.2
171.04416	0.2
173.06024	0.1
175.02502	0.2
175.03909	2.5
185.05986	0.3
189.05504	0.2
197.06030	0.4
198.03157	0.3
199.03926	2.4
201.01874	0.8
213.05501	0.4
215.03442	0.2
217.05020	1.7
223.03996	0.1
224.04733	0.2
229.04956	0.2
239.03246	0.2
241.05099	0.9
243.03021	0.8
255.02919	0.7
256.03726	0.6
257.04630	0.4
267.02866	0.2
269.38849	0.1
283.02487	0.3
284.03375	1.0
285.04053	100.0
286.04434	0.9
288.09897	0.1
461.07294	40.3
462.07394	0.6
479.08276	1.5
655.09259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
73.59778	1.0
85.59222	1.0
90.68159	1.1
122.51870	1.0
124.62803	1.1
133.02803	9.2
133.75955	1.3
135.04391	2.5
137.02292	2.0
139.00253	1.5
149.02367	2.8
151.00261	5.7
165.01855	3.6
166.99760	1.5
169.58893	1.4
175.03899	2.3
192.00531	1.5
198.03273	1.3
201.01865	1.2
210.30878	1.2
217.05009	1.9
227.03578	1.4
229.04869	2.1
252.08575	1.2
255.02946	3.0
273.04245	1.8
285.04041	66.1
286.04388	4.4
299.02081	1.8
300.02722	1.9
301.03546	100.0
302.03958	1.8
461.07309	28.2
462.07904	1.6
463.08316	1.8
477.06760	50.2
793.19006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76973	0.2
66.76027	0.2
68.65020	0.2
76.64346	0.2
81.03319	0.2
83.04874	0.8
130.50081	0.2
141.61296	0.2
156.45795	0.2
165.81616	0.2
225.16029	0.7
348.57065	0.2
451.32822	0.9
537.98450	0.3
547.31592	0.2
677.50244	0.3
741.18970	0.2
903.66479	3.5
939.64252	100.0
940.64294	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	941.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01226	4.5
72.04290	3.4
73.31863	3.4
74.42359	3.9
85.02785	7.1
91.19366	3.7
107.01221	6.9
109.02826	4.4
113.02338	7.9
116.51317	3.1
117.03312	4.0
121.02833	7.8
125.02314	21.0
133.02882	5.9
139.00293	3.8
149.02357	13.0
151.00249	28.3
153.01846	7.4
161.02570	4.0
163.00233	7.5
165.01810	11.7
167.99336	4.6
169.01279	11.9
175.02457	5.1
177.01860	4.1
178.99792	12.4
181.01340	18.5
185.06023	4.4
187.03889	3.5
190.73111	4.0
193.01367	10.7
209.00870	5.5
226.04332	3.8
231.02983	4.3
243.03099	4.5
255.02979	16.3
257.04578	12.1
269.04578	25.9
273.04184	9.3
283.02414	19.2
284.03305	19.9
285.04044	100.0
286.04529	5.1
290.01514	4.2
301.03513	61.6
319.04556	7.4
445.07687	8.1
461.07275	15.7
466.47058	4.2
477.07059	6.6
478.07596	6.4
495.07791	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	943.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
82.20169	37.3
101.02325	61.0
114.35603	42.7
130.33807	42.3
136.98157	56.7
152.59578	48.3
155.19588	43.2
197.49969	49.5
214.34926	55.7
233.64610	52.2
277.21823	80.4
351.63742	57.8
397.13455	86.3
525.57086	51.7
704.93787	58.9
943.53082	100.0
978.14319	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	945.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01656	0.4
76.34875	0.6
87.00739	0.8
90.98795	0.6
90.99244	0.6
91.15351	0.5
91.16975	0.9
91.17567	0.9
91.72703	1.1
97.02815	0.7
107.01255	0.9
121.14514	0.5
133.02834	3.0
149.02380	0.9
151.00235	4.1
159.02914	0.9
175.03934	1.7
199.03915	1.5
201.01801	0.9
213.05486	0.7
217.04958	0.8
221.56885	0.5
229.05069	0.5
241.05017	1.1
245.70337	0.5
255.02985	2.0
256.03787	10.5
257.04431	1.4
283.02594	1.8
284.03278	43.7
285.04059	61.7
286.04483	1.1
297.04089	1.5
303.02386	0.6
306.01590	0.8
307.02283	13.9
309.04211	0.6
319.02304	1.0
325.01910	3.1
327.05103	1.2
339.01303	1.5
347.01758	0.7
349.03217	1.2
461.07123	1.2
483.05460	100.0
484.05646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30383	0.3
83.01234	0.4
91.16963	1.0
91.17577	0.4
91.72727	0.7
97.47855	0.3
107.01251	1.2
120.79269	0.3
130.86465	0.3
133.02818	5.3
149.02319	1.3
150.62939	0.3
151.00249	5.3
151.09659	0.3
164.06332	0.3
175.03915	3.0
187.84206	0.4
198.03152	0.4
199.03923	2.3
201.01909	0.8
213.05609	0.5
215.03215	0.4
217.05060	1.5
229.05009	0.3
241.05095	0.8
243.02971	0.7
255.03056	0.4
256.03796	0.3
267.02951	0.5
268.58514	0.3
283.02307	0.4
284.00827	0.2
284.03268	8.6
285.04059	100.0
285.17468	0.9
286.04355	1.5
297.04013	0.7
298.04724	0.6
299.05518	0.4
307.02283	7.3
319.02197	0.5
325.03027	0.5
327.05164	1.8
331.20773	0.4
339.01172	0.4
420.52698	0.3
461.06879	0.5
483.05460	70.3
484.05835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73222	0.6
71.01239	19.8
72.99152	1.2
73.02795	4.6
75.00716	2.3
81.03300	1.8
83.01231	2.4
83.97446	0.5
85.02811	13.8
87.00734	1.8
88.14301	0.5
89.02295	17.3
89.61642	0.9
89.62084	0.8
95.01228	3.8
98.33041	0.5
99.00739	4.3
99.04375	60.7
101.02302	22.7
103.00218	1.9
107.01241	1.0
113.02306	23.6
115.00207	1.2
117.01777	0.8
117.03310	3.7
119.03368	5.8
124.98597	0.8
125.02312	46.0
129.01807	1.0
131.03352	0.8
133.10141	1.0
142.74690	0.6
143.03369	4.8
149.02330	1.3
149.04430	0.6
151.00269	1.7
157.01259	0.6
159.02919	0.7
159.04340	0.9
161.02345	1.2
161.04448	8.3
163.66444	0.5
175.02380	6.2
177.09187	3.2
179.05504	2.3
183.04471	1.0
195.10181	5.4
203.03371	0.6
217.97900	0.6
224.04666	0.7
225.05515	1.4
246.21992	0.7
269.04568	100.0
270.04965	1.7
283.34409	0.6
321.00186	0.7
339.14441	4.8
357.15549	17.5
399.16632	47.0
400.17157	0.9
439.19702	6.3
440.80618	0.6
445.07800	20.5
457.20798	15.2
458.21194	0.7
498.96539	0.9
501.19812	92.9
502.20175	1.9
640.38800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99992	0.3
67.01743	0.6
71.01232	1.1
72.99149	0.4
78.12254	0.3
80.69868	0.3
85.02808	2.8
87.00730	0.6
89.02332	0.4
89.33159	0.9
89.33746	0.5
95.01241	0.9
99.00736	1.1
99.67850	0.3
101.02255	0.3
113.02317	3.5
115.00198	0.7
117.03326	1.0
133.02837	1.0
135.00694	0.4
137.02316	0.6
141.77753	0.3
143.04951	0.7
145.02821	1.0
151.00182	0.4
163.00266	0.7
165.01843	0.6
165.99028	0.3
169.06525	0.8
171.04462	1.6
175.02361	1.5
185.06001	1.9
187.03940	3.0
192.00549	1.2
195.04385	0.4
197.06042	0.5
199.03998	0.7
211.03952	0.7
213.05519	4.6
215.03435	0.7
217.05099	0.6
223.03935	0.3
229.05025	1.8
239.03546	1.1
240.04341	0.8
241.05034	2.5
243.02861	0.4
247.48166	0.4
255.02882	0.6
257.04541	1.9
267.03180	0.4
283.02518	1.2
284.03287	2.2
285.04056	100.0
286.04465	1.9
368.75156	0.3
461.07297	55.6
462.07465	1.4
646.77557	0.4
659.57489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01705	0.1
68.99644	0.1
71.01238	1.6
72.99165	0.3
73.02796	0.2
75.00725	0.4
80.54551	0.1
83.01234	0.3
84.02053	0.1
85.02807	2.4
86.73144	0.1
87.00725	0.6
89.02293	0.4
89.33237	0.1
95.01228	0.6
99.00739	1.1
99.04366	0.1
103.00217	0.3
105.03320	0.2
107.01249	1.0
109.02800	0.4
111.00715	0.1
113.02307	2.0
115.00234	0.3
117.01810	0.5
121.02804	0.5
129.01813	0.3
133.02821	4.2
135.04401	0.1
138.15387	0.1
147.04420	0.2
149.02330	1.3
151.00258	3.3
151.03989	0.1
151.05615	0.1
163.00317	0.1
169.06439	0.1
171.04433	0.3
173.02286	0.1
175.02397	0.3
175.03880	2.1
177.01839	0.3
183.04440	0.1
185.06000	0.4
189.05496	0.2
197.05988	0.2
198.03157	0.4
199.03938	1.8
201.01878	0.6
211.03868	0.1
212.04694	0.1
213.05563	0.5
215.03421	0.4
217.04996	1.4
223.04004	0.3
229.05092	0.2
239.03458	0.2
240.04189	0.2
241.05023	0.9
242.02206	0.2
243.02878	0.6
255.02982	0.4
256.03391	0.3
257.04620	0.4
267.02982	0.4
268.03787	0.1
283.02634	0.4
284.03180	0.8
285.04056	100.0
286.04413	0.9
297.03967	0.4
298.04987	0.1
299.05515	0.2
325.03687	0.1
327.05130	1.2
339.05124	0.1
349.83173	0.1
355.04587	0.2
357.06146	0.8
369.06210	0.2
381.06219	0.3
383.14294	0.1
399.07040	0.2
461.07294	42.9
462.07614	0.6
479.08621	0.1
544.53510	0.1
629.16589	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	953.423
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02821	15.7
73.48219	5.8
96.00773	24.6
96.76801	5.8
109.03941	21.5
113.07062	19.0
114.01824	21.0
114.05457	7.8
123.05531	27.0
124.03931	9.1
127.05007	83.3
128.03432	14.0
129.10210	25.3
136.03889	8.6
140.08171	7.7
141.06633	14.8
145.06126	5.8
149.03474	9.7
153.06609	29.9
166.06157	9.2
167.04483	11.4
170.09290	35.8
184.07224	10.2
195.11316	13.4
210.12321	6.7
211.03651	6.3
212.14017	62.8
237.13568	19.2
266.15198	14.5
269.04642	10.4
281.12558	22.3
286.30765	6.3
297.83398	5.7
299.13596	19.2
301.63895	6.2
313.45697	5.9
349.18750	10.3
366.21497	7.3
495.25974	20.6
707.29913	38.6
723.36932	27.1
725.30737	11.6
820.38470	22.8
821.36798	35.9
935.41217	100.0
953.42938	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	961.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	2.6
75.00716	2.1
85.02806	1.4
89.02290	3.0
89.33212	1.0
96.33051	0.8
99.00726	3.1
101.02297	2.5
107.01227	1.1
113.02294	2.4
119.03377	1.0
123.04405	0.8
129.01889	0.7
133.02867	4.2
139.00226	1.3
149.02286	1.7
151.00227	3.5
157.01250	0.9
175.03981	1.7
179.05524	2.9
199.03870	1.4
201.01839	1.2
217.04985	1.2
221.06638	1.9
241.05035	1.4
284.03290	2.0
285.04071	100.0
302.48087	0.8
327.05374	1.0
461.07291	39.0
479.08270	1.3
499.13208	2.3
581.18915	1.6
885.03815	1.0
961.20746	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	963.6872
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03313	5.2
83.04878	14.9
85.95918	0.2
89.82431	0.1
91.26346	0.2
92.58658	0.2
100.07508	0.3
106.59511	0.2
107.06005	0.4
108.04370	0.2
110.05959	0.2
125.07063	0.7
126.05430	0.4
143.08141	0.5
157.13368	0.2
163.65858	0.2
207.14975	1.5
209.95096	0.2
211.43349	0.2
224.17670	2.7
225.16046	12.9
242.18727	0.7
309.21896	1.2
324.26508	0.5
333.22919	0.6
341.29141	1.4
350.23996	0.2
351.24158	0.3
353.75641	0.2
359.55078	0.2
359.70163	0.2
367.27026	1.4
385.27866	0.4
407.34003	0.4
433.31985	2.1
450.34637	1.6
451.32919	12.4
535.38751	0.4
550.43152	0.8
567.45959	1.3
593.44196	0.5
606.39783	0.2
659.48706	0.7
676.51031	0.5
677.49847	3.1
776.60474	1.2
791.60223	0.3
841.29755	0.3
885.65747	1.1
903.66583	100.0
904.67401	2.1
909.04950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6604
Annotation	Unknow
Peak:m/z	Relative Intensity
80.80048	2.2
81.03294	2.9
83.04874	9.0
91.10732	2.1
96.95841	3.5
143.40968	2.4
157.12468	2.0
159.07068	2.3
225.16066	4.6
226.16347	3.2
259.10449	2.5
310.60849	2.2
312.48611	2.2
620.16083	2.4
628.20825	2.5
891.38367	2.6
904.65253	6.2
905.67401	29.8
906.67352	38.2
966.66132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82131	0.5
78.95750	0.6
108.04820	0.6
121.02818	4.2
136.01543	1.0
137.79483	0.6
209.05908	0.6
211.14700	0.7
211.31732	0.6
224.04906	1.0
225.05547	11.0
226.06264	3.3
227.07109	0.9
253.09198	1.5
263.33585	0.7
277.21716	6.3
293.21237	0.7
331.09805	6.3
332.10501	1.5
396.38593	0.6
437.13992	2.1
438.14777	18.9
438.20770	1.5
438.54758	0.7
439.15024	0.7
453.17096	100.0
454.17459	2.7
475.15094	1.4
497.09140	1.0
498.09299	3.8
512.11908	1.4
513.11414	5.4
514.11328	0.8
734.89941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.5
71.00875	1.5
71.01239	17.6
71.81857	1.1
72.99181	1.6
73.02795	4.2
81.03300	1.5
83.01232	2.2
85.02794	6.0
87.00731	5.5
87.75860	1.3
89.02301	23.4
95.01185	1.3
97.02813	3.9
97.77776	1.2
99.00764	1.7
101.02306	23.7
113.02309	12.1
115.03850	1.9
119.03354	5.5
125.02320	10.0
131.03407	2.3
143.03334	3.0
151.03719	1.4
161.04443	6.5
179.05534	4.7
235.08266	8.5
240.18053	1.4
241.49762	1.5
249.18597	83.0
277.21738	100.0
287.07803	3.7
305.08801	3.7
323.09766	2.4
379.12497	17.2
397.13525	65.7
398.45294	1.7
400.59409	1.5
415.14633	13.7
447.74445	1.7
647.33160	1.5
675.36774	2.9
953.36078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	18.7
73.02792	25.3
89.02302	13.5
99.04376	65.3
101.02306	41.5
110.78489	6.9
111.93568	6.8
113.02303	17.8
113.05904	6.0
119.03342	7.4
123.04375	13.3
125.02340	49.3
139.03613	14.7
143.03423	11.8
149.04431	16.5
153.05234	17.5
159.80049	7.2
161.04451	16.8
181.04768	8.4
221.06531	11.0
225.03810	51.9
285.06012	11.5
298.88345	8.5
345.08276	10.3
429.21375	9.2
453.56659	7.2
473.20285	100.0
509.62137	7.4
565.43860	8.3
816.86542	8.1
969.38965	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	970.538
Annotation	Unknow
Peak:m/z	Relative Intensity
82.43350	44.0
249.18597	74.8
250.18956	71.5
277.21759	86.4
278.22153	100.0
294.45706	54.5
339.16599	45.8
396.83395	45.9
790.13098	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	977.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
107.04881	2.1
112.61870	1.6
121.02815	2.4
153.11736	1.6
154.83047	1.5
267.88977	1.6
285.04202	3.0
308.82077	1.6
375.09262	2.5
430.08847	2.5
433.11304	2.9
439.15625	4.9
449.10605	6.6
459.09302	6.2
461.13986	3.1
477.10208	95.9
495.11319	13.9
509.09161	5.2
537.12317	100.0
539.10352	6.5
917.26398	19.9
918.62231	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	991.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33463	0.6
76.97466	0.6
121.02818	3.5
136.01591	0.9
147.21855	0.6
181.60597	0.7
196.17953	0.6
197.06013	1.2
198.71182	0.6
225.05530	11.4
226.06317	3.0
227.07117	0.9
253.09241	1.1
301.21777	4.4
331.09747	5.7
332.10730	1.4
349.37338	0.6
365.69409	0.7
421.14438	0.8
437.13959	2.9
438.14743	19.8
453.17099	100.0
454.17343	1.6
463.12137	0.7
469.45596	0.7
520.13635	0.8
521.14081	0.7
535.15765	0.9
536.16614	1.1
537.16510	2.3
538.13733	1.0
925.54999	0.7
931.32446	1.8
END