ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006328
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05ox-9310000000-96f27c85829a17458376
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  40 7.1 71
  41 99.99 999
  42 11.4 114
  43 3.21 32
  44 2.9 29
  50 2.9 29
  51 5 50
  52 0.43 4
  53 31.4 314
  54 8.6 86
  55 77.1 771
  56 1.43 14
  57 12.9 129
  58 5 50
  65 15 150
  66 0.82 8
  67 53.6 536
  68 19.3 193
  69 39.3 393
  70 0.57 6
  71 2.9 29
  76 3.6 36
  77 37.1 371
  78 1.14 11
  79 60 600
  80 13.6 136
  81 49.3 493
  82 1.07 11
  83 8.2 82
  84 2.5 25
  85 2.5 25
  91 6.64 66
  92 24.3 243
  93 46.8 468
  94 13.6 136
  95 3 30
  96 5.7 57
  97 4.3 43
  103 5.7 57
  104 0.71 7
  105 30 300
  106 10 100
  107 25 250
  108 0.75 8
  109 17.9 179
  110 3.9 39
  111 4.3 43
  115 0.68 7
  116 4.3 43
  117 12.1 121
  118 4.3 43
  119 1.71 17
  120 7 70
  121 12.1 121
  122 6.8 68
  123 3.08 31
  124 4.3 43
  125 2.9 29
  127 2.1 21
  128 0.5 5
  129 5.7 57
  130 3.6 36
  131 10 100
  132 0.43 4
  133 10 100
  134 4.3 43
  135 8.6 86
  136 0.57 6
  137 17.5 175
  138 4.3 43
  141 2.9 29
  142 0.25 3
  143 3.9 39
  144 2.9 29
  145 10 100
  146 0.5 5
  147 10.7 107
  148 4.3 43
  149 8.6 86
  150 0.43 4
  151 3.6 36
  157 2.9 29
  158 2.1 21
  159 0.46 5
  160 2.9 29
  161 5 50
  162 2.5 25
  163 0.43 4
  164 2.9 29
  165 2.1 21
  213 3.6 36
  214 0.14 1
  215 20 200
  216 3.9 39
  217 2.9 29
  230 3.5 35
  231 4.3 43
  232 2.9 29
  245 11 110
  246 0.29 3
  255 4.5 45
  256 1.5 15
  270 1.4 14
  271 0.14 1
  272 0.7 7
  273 10.5 105
  275 1.1 11
  288 2 20
  289 5 50
//