MassBank Record: MSBNK-RIKEN_NPDepo-NGA01202
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01202
RECORD_TITLE: 19,28-Epoxy-3-oleananol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids
CH$NAME: 19,28-Epoxy-3-oleananol
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C30H50O2
CH$EXACT_MASS: 442.7318
CH$SMILES: CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(O)C(C)(C)C6CC[C@]54C)C2C1OC3
CH$IUPAC: InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20?,21?,22?,23?,24?,27-,28+,29+,30?/m0/s1
CH$LINK: INCHIKEY
BZNIIOGSANMIET-OGRWGTANSA-N
CH$LINK: PUBCHEM
CID:16402585
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0910100000-7dddfd5c1c72f3032f0e
PK$NUM_PEAK: 823
PK$PEAK: m/z int. rel.int.
96.5 6.05 6
96.6 7.53 7
96.7 8.67 8
96.8 8.63 8
96.9 7.88 7
97.0 7.53 7
97.1 7.7 7
97.2 7.66 7
97.3 7.12 7
97.4 6.5 6
97.5 6.1 6
97.6 5.91 5
97.7 5.99 5
97.8 6.35 6
97.9 6.7 6
98.0 6.66 6
98.1 6.11 6
98.2 5.36 5
98.3 5.01 5
98.4 5.38 5
98.5 6.14 6
98.6 6.67 6
98.7 6.59 6
98.8 6.09 6
98.9 5.75 5
99.0 6.02 6
99.1 6.79 6
99.2 7.44 7
99.3 7.35 7
99.4 6.45 6
99.5 5.37 5
99.6 4.96 4
99.7 5.53 5
99.8 6.56 6
99.9 7.16 7
100.0 6.85 6
100.1 5.95 5
100.2 5.32 5
100.3 5.54 5
100.4 6.39 6
100.5 7.04 7
100.6 6.94 6
100.7 6.36 6
100.8 5.98 5
100.9 6.14 6
101.0 6.56 6
101.1 6.86 6
101.2 6.83 6
101.3 6.46 6
101.4 5.99 5
101.5 5.85 5
101.6 6.31 6
101.7 6.98 6
101.8 7.16 7
101.9 6.59 6
102.0 5.78 5
102.1 5.39 5
102.2 5.61 5
102.3 6.18 6
102.4 6.65 6
102.5 6.72 6
102.6 6.4 6
102.7 5.98 5
102.8 5.85 5
102.9 6.14 6
103.0 6.56 6
103.1 6.59 6
103.2 6.08 6
103.3 5.41 5
103.4 5.18 5
103.5 5.65 5
103.6 6.47 6
103.7 6.89 6
103.8 6.48 6
103.9 5.59 5
104.0 5.05 5
104.1 5.22 5
104.2 5.63 5
104.3 5.63 5
104.4 5.16 5
104.5 4.69 4
104.6 4.56 4
104.7 4.89 4
104.8 5.64 5
104.9 6.57 6
105.0 7.16 7
105.1 6.91 6
105.2 5.96 5
105.3 5.07 5
105.4 4.91 4
105.5 5.5 5
105.6 6.32 6
105.7 6.72 6
105.8 6.41 6
105.9 5.72 5
106.0 5.27 5
106.1 5.41 5
106.2 5.93 5
106.3 6.23 6
106.4 5.94 5
106.5 5.2 5
106.6 4.7 4
106.7 5.05 5
106.8 6.07 6
106.9 6.87 6
107.0 6.8 6
107.1 6.09 6
107.2 5.53 5
107.3 5.68 5
107.4 6.39 6
107.5 7.09 7
107.6 7.25 7
107.7 6.68 6
107.8 5.69 5
107.9 4.92 4
108.0 4.86 4
108.1 5.54 5
108.2 6.47 6
108.3 6.89 6
108.4 6.46 6
108.5 5.57 5
108.6 5.05 5
108.7 5.35 5
108.8 6.14 6
108.9 6.58 6
109.0 6.26 6
109.1 5.64 5
109.2 5.53 5
109.3 6.22 6
109.4 7.19 7
109.5 7.57 7
109.6 7.0 6
109.7 5.92 5
109.8 5.19 5
109.9 5.28 5
110.0 5.92 5
110.1 6.45 6
110.2 6.4 6
110.3 5.9 5
110.4 5.5 5
110.5 5.59 5
110.6 6.09 6
110.7 6.56 6
110.8 6.72 6
110.9 6.52 6
111.0 6.09 6
111.1 5.74 5
111.2 5.74 5
111.3 6.17 6
111.4 6.68 6
111.5 6.75 6
111.6 6.23 6
111.7 5.6 5
111.8 5.59 5
111.9 6.38 6
112.0 7.32 7
112.1 7.46 7
112.2 6.56 6
112.3 5.47 5
112.4 5.22 5
112.5 6.0 5
112.6 7.08 7
112.7 7.5 7
112.8 6.91 6
112.9 5.81 5
113.0 5.15 5
113.1 5.5 5
113.2 6.53 6
113.3 7.21 7
113.4 6.95 6
113.5 6.1 6
113.6 5.49 5
113.7 5.6 5
113.8 6.17 6
113.9 6.66 6
114.0 6.65 6
114.1 6.19 6
114.2 5.64 5
114.3 5.49 5
114.4 5.93 5
114.5 6.63 6
114.6 7.0 6
114.7 6.73 6
114.8 6.08 6
114.9 5.64 5
115.0 5.79 5
115.1 6.41 6
115.2 6.92 6
115.3 6.77 6
115.4 5.97 5
115.5 5.16 5
115.6 5.0 4
115.7 5.61 5
115.8 6.49 6
115.9 7.02 7
116.0 6.81 6
116.1 6.15 6
116.2 5.7 5
116.3 5.88 5
116.4 6.45 6
116.5 6.79 6
116.6 6.47 6
116.7 5.69 5
116.8 5.1 5
116.9 5.31 5
117.0 6.22 6
117.1 7.08 7
117.2 7.09 7
117.3 6.31 6
117.4 5.46 5
117.5 5.24 5
117.6 5.79 5
117.7 6.6 6
117.8 6.94 6
117.9 6.43 6
118.0 5.52 5
118.1 5.1 5
118.2 5.57 5
118.3 6.37 6
118.4 6.71 6
118.5 6.3 6
118.6 5.53 5
118.7 5.05 5
118.8 5.27 5
118.9 6.14 6
119.0 7.03 7
119.1 7.26 7
119.2 6.66 6
119.3 5.73 5
119.4 5.15 5
119.5 5.27 5
119.6 5.94 5
119.7 6.62 6
119.8 6.73 6
119.9 6.19 6
120.0 5.54 5
120.1 5.51 5
120.2 6.26 6
120.3 7.09 7
120.4 7.17 7
120.5 6.39 6
120.6 5.5 5
120.7 5.3 5
120.8 5.94 5
120.9 6.93 6
121.0 7.5 7
121.1 7.27 7
121.2 6.51 6
121.3 5.95 5
121.4 6.04 6
121.5 6.56 6
121.6 6.88 6
121.7 6.6 6
121.8 5.89 5
121.9 5.42 5
122.0 5.75 5
122.1 6.82 6
122.2 7.86 7
122.3 8.03 8
122.4 7.15 7
122.5 5.94 5
122.6 5.3 5
122.7 5.54 5
122.8 6.3 6
122.9 6.81 6
123.0 6.58 6
123.1 5.84 5
123.2 5.37 5
123.3 5.68 5
123.4 6.55 6
123.5 7.32 7
123.6 7.42 7
123.7 6.82 6
123.8 6.06 6
123.9 5.83 5
124.0 6.3 6
124.1 6.91 6
124.2 6.98 6
124.3 6.47 6
124.4 5.87 5
124.5 5.65 5
124.6 5.85 5
124.7 6.26 6
124.8 6.57 6
124.9 6.52 6
125.0 6.05 6
125.1 5.48 5
125.2 5.34 5
125.3 5.79 5
125.4 6.49 6
125.5 6.85 6
125.6 6.65 6
125.7 6.2 6
125.8 5.96 5
125.9 6.18 6
126.0 6.74 6
126.1 7.19 7
126.2 7.04 7
126.3 6.32 6
126.4 5.68 5
126.5 5.69 5
126.6 6.34 6
126.7 7.11 7
126.8 7.44 7
126.9 7.07 7
127.0 6.25 6
127.1 5.62 5
127.2 5.73 5
127.3 6.39 6
127.4 6.85 6
127.5 6.59 6
127.6 5.88 5
127.7 5.48 5
127.8 5.8 5
127.9 6.43 6
128.0 6.71 6
128.1 6.44 6
128.2 5.95 5
128.3 5.66 5
128.4 5.74 5
128.5 6.11 6
128.6 6.6 6
128.7 6.89 6
128.8 6.74 6
128.9 6.29 6
129.0 5.96 5
129.1 6.07 6
129.2 6.48 6
129.3 6.75 6
129.4 6.66 6
129.5 6.27 6
129.6 5.93 5
129.7 5.9 5
129.8 6.18 6
129.9 6.41 6
130.0 6.25 6
130.1 5.77 5
130.2 5.42 5
130.3 5.47 5
130.4 5.82 5
130.5 6.17 6
130.6 6.36 6
130.7 6.28 6
130.8 5.98 5
130.9 5.65 5
131.0 5.61 5
131.1 6.02 6
131.2 6.58 6
131.3 6.74 6
131.4 6.3 6
131.5 5.62 5
131.6 5.28 5
131.7 5.56 5
131.8 6.25 6
131.9 6.83 6
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132.1 6.3 6
132.2 5.73 5
132.3 5.74 5
132.4 6.4 6
132.5 7.04 7
132.6 6.88 6
132.7 5.9 5
132.8 4.86 4
132.9 4.61 4
133.0 5.3 5
133.1 6.29 6
133.2 6.75 6
133.3 6.36 6
133.4 5.61 5
133.5 5.26 5
133.6 5.64 5
133.7 6.33 6
133.8 6.63 6
133.9 6.26 6
134.0 5.54 5
134.1 5.11 5
134.2 5.32 5
134.3 6.03 6
134.4 6.76 6
134.5 7.29 7
134.6 7.65 7
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134.8 7.37 7
134.9 6.66 6
135.0 6.19 6
135.1 6.18 6
135.2 6.22 6
135.3 6.08 6
135.4 6.01 6
135.5 6.22 6
135.6 6.53 6
135.7 6.64 6
135.8 6.45 6
135.9 6.02 6
136.0 5.58 5
136.1 5.57 5
136.2 6.25 6
136.3 7.23 7
136.4 7.62 7
136.5 6.99 6
136.6 5.92 5
136.7 5.42 5
136.8 5.79 5
136.9 6.42 6
137.0 6.59 6
137.1 6.19 6
137.2 5.66 5
137.3 5.53 5
137.4 5.87 5
137.5 6.37 6
137.6 6.58 6
137.7 6.31 6
137.8 5.69 5
137.9 5.12 5
138.0 5.09 5
138.1 5.9 5
138.2 7.11 7
138.3 7.78 7
138.4 7.38 7
138.5 6.37 6
138.6 5.71 5
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138.8 6.31 6
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139.1 5.64 5
139.2 5.5 5
139.3 5.88 5
139.4 6.42 6
139.5 6.71 6
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139.8 5.84 5
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141.7 5.63 5
141.8 5.42 5
141.9 5.75 5
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142.2 6.32 6
142.3 5.84 5
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142.6 6.6 6
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142.8 6.45 6
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147.6 4.9 4
147.7 5.72 5
147.8 6.47 6
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153.5 6.41 6
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153.8 6.1 6
153.9 5.01 5
154.0 4.88 4
154.1 5.82 5
154.2 7.09 7
154.3 7.77 7
154.4 7.51 7
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155.6 7.05 7
155.7 6.45 6
155.8 5.76 5
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162.5 6.88 6
162.6 7.96 7
162.7 9.59 9
162.8 11.87 11
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185.8 6.54 6
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187.1 7.76 7
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189.1 10.35 10
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190.4 7.81 7
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190.8 24.35 24
190.9 27.04 27
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191.1 21.39 21
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191.3 19.81 19
191.4 20.24 20
191.5 17.0 16
191.6 10.88 10
191.7 5.95 5
216.5 5.38 5
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216.7 11.83 11
216.8 20.17 20
216.9 27.95 27
217.0 31.36 31
217.1 29.88 29
217.2 25.02 24
217.3 18.07 18
217.4 10.82 10
217.5 6.09 6
220.7 7.54 7
220.8 8.99 8
220.9 11.93 11
221.0 13.28 13
221.1 11.17 11
221.2 7.8 7
232.1 6.44 6
232.2 7.78 7
232.3 9.1 9
232.4 9.48 9
232.5 8.45 8
232.6 7.16 7
232.7 7.26 7
232.8 8.58 8
232.9 9.2 9
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233.1 7.09 7
233.2 6.84 6
233.3 7.14 7
233.4 7.19 7
233.5 7.11 7
233.6 7.07 7
233.7 6.68 6
233.8 6.03 6
233.9 6.11 6
234.0 7.29 7
234.1 8.58 8
234.2 9.3 9
234.3 10.32 10
234.4 12.8 12
234.5 15.92 15
234.6 17.14 17
234.7 15.25 15
234.8 12.95 12
234.9 14.67 14
235.0 21.04 21
235.1 26.6 26
235.2 25.3 25
235.3 17.64 17
235.4 10.0 9
235.5 6.87 6
394.9 6.05 6
395.0 6.68 6
395.1 8.57 8
395.2 13.26 13
395.3 19.87 19
395.4 23.92 23
395.5 21.39 21
395.6 13.73 13
395.7 6.56 6
424.1 5.23 5
424.2 7.44 7
424.3 10.42 10
424.4 11.85 11
424.5 10.83 10
424.6 10.73 10
424.7 18.26 18
424.8 36.1 36
424.9 55.41 55
425.0 61.79 61
425.1 55.1 55
425.2 54.9 54
425.3 73.65 73
425.4 93.07 92
425.5 84.91 84
425.6 49.4 49
425.7 14.15 14
425.8 0.0 0
442.7 9.24 9
442.8 10.13 10
442.9 14.0 13
443.0 26.55 26
443.1 48.2 48
443.2 65.81 65
443.3 62.78 62
443.4 39.84 39
443.5 15.73 15
443.6 4.85 4
//
system version 2.2.8-SNAPSHOT
