ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002088
RECORD_TITLE: 8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-12-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-12-ONE
CH$NAME: ATRACTYLENOLIDE 2
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₂
CH$EXACT_MASS: 232.14633
CH$SMILES: O=C(O1)C(C)=C(C2)C([H])1CC(C)(C3)C([H])(C(=C)CC3)2
CH$IUPAC: InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
CH$LINK: INCHIKEY OQYBLUDOOFOBPO-KCQAQPDRSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053r-6930000000-7110ec9cee9ebdd88a9e
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  17 4.3 43
  18 27.3 273
  28 3.8 38
  29 0.43 4
  32 1.4 14
  39 1.9 19
  41 12 120
  43 1.05 11
  53 6.2 62
  54 4.8 48
  55 12.9 129
  56 0.29 3
  57 24.4 244
  58 2.4 24
  65 2.4 24
  67 1.29 13
  68 6.2 62
  69 13.4 134
  70 4.8 48
  71 1.44 14
  77 9.6 96
  78 2.4 24
  79 16.3 163
  80 0.67 7
  81 18.2 182
  82 10.5 105
  83 11 110
  84 0.29 3
  85 12.4 124
  91 17.7 177
  92 4.3 43
  93 2.78 28
  94 9.1 91
  95 15.8 158
  96 6.2 62
  97 0.57 6
  98 1.9 19
  99 4.8 48
  105 20.1 201
  106 0.67 7
  107 27.3 273
  108 17.2 172
  109 17.7 177
  110 1.82 18
  111 12.4 124
  112 6.2 62
  113 5.3 53
  117 0.48 5
  118 3.4 34
  119 13.9 139
  120 6.2 62
  121 4.02 40
  122 47.9 479
  123 6.7 67
  124 4.3 43
  125 0.43 4
  126 2.9 29
  127 2.9 29
  129 2.9 29
  132 0.43 4
  133 12.4 124
  134 7.7 77
  135 11 110
  136 0.57 6
  137 4.3 43
  140 1.9 19
  141 1.9 19
  143 0.43 4
  144 1.9 19
  145 8.6 86
  146 5.3 53
  147 1.2 12
  148 9.6 96
  149 7.2 72
  150 6.7 67
  151 0.19 2
  152 2.9 29
  153 1.9 19
  157 2.9 29
  158 0.43 4
  159 8.6 86
  160 3.8 38
  161 15.3 153
  162 0.91 9
  163 5.3 53
  164 5.3 53
  165 3.4 34
  171 0.29 3
  172 1.9 19
  173 2.4 24
  174 1.9 19
  175 1.1 11
  176 10.1 101
  177 5.7 57
  178 3.4 34
  179 0.29 3
  183 1.9 19
  185 1.9 19
  186 2.4 24
  187 1.1 11
  188 3.4 34
  189 10.5 105
  190 15.3 153
  191 0.29 3
  199 6.2 62
  200 2.4 24
  203 20.1 201
  204 2.2 22
  205 1.9 19
  214 2.4 24
  215 1.9 19
  217 2.87 29
  218 5.3 53
  232 99.99 999
  233 14.4 144
  234 1.91 19
  235 2.4 24
//