MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006329
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006329
RECORD_TITLE: (16R)-ENT-KAURAN-15-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (16R)-ENT-KAURAN-15-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H32O
CH$EXACT_MASS: 288.24532
CH$SMILES: CC(C)(C4)C([H])(C3)C(C)(CC4)C([H])(C2)C(C3)(C1)C(=O)C([H])(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C20H32O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16-,19+,20+/m1/s1
CH$LINK: INCHIKEY
WLPSBNSWPFRIPG-YSBNHYEQSA-N
AC$INSTRUMENT: HITACHI RMU-7L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001r-1790000000-d721984c6552b439bde6
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
79 3.5 35
80 1 10
81 1 10
91 1.79 18
92 5.7 57
93 5 50
94 12.9 129
95 0.32 3
96 1 10
97 2.5 25
105 3 30
106 0.86 9
107 9.3 93
108 4.3 43
109 12.1 121
110 0.29 3
111 2.5 25
120 3.9 39
121 3.6 36
122 0.54 5
123 30 300
124 8.6 86
125 6.1 61
126 0.09 1
135 5.4 54
136 16.4 164
137 24.3 243
138 1.41 14
139 2.5 25
146 0.7 7
147 3.6 36
148 0.14 1
149 7.9 79
150 10 100
151 7.5 75
152 0.25 3
153 1.1 11
159 1.4 14
160 1.1 11
161 0.25 3
162 1.4 14
163 3.9 39
164 6.4 64
165 0.21 2
166 0.5 5
167 1.1 11
213 4.3 43
214 0.11 1
215 20 200
216 3.9 39
217 1.8 18
218 0.14 1
228 1.8 18
229 2 20
230 99.99 999
231 1.75 18
232 6.1 61
233 1.1 11
245 9.1 91
246 0.2 2
255 3.4 34
256 0.7 7
260 1.4 14
261 0.05 1
270 2.9 29
271 1.1 11
274 15.7 157
275 0.36 4
276 0.4 4
288 37.9 379
289 8.6 86
290 1.4 14
//