ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001189
RECORD_TITLE: 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-ALPHA-2-ALPHA-EPOXY-3-OXO-5,6-DIHYDROALANTOLACTONE
CH$NAME: HIMEYOSHIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈O₄
CH$EXACT_MASS: 262.12051
CH$SMILES: O=C(O1)C(=C)C([H])(C4)C([H])1CC(C)(C([H])43)C([H])(O2)C([H])(C(=O)C([H])(C)3)2
CH$IUPAC: InChI=1S/C15H18O4/c1-6-8-4-9-7(2)11(16)12-13(19-12)15(9,3)5-10(8)18-14(6)17/h7-10,12-13H,1,4-5H2,2-3H3/t7-,8-,9+,10-,12+,13+,15-/m1/s1
CH$LINK: INCHIKEY ILXNJGJFJRUHHW-SVWYSVCKSA-N

AC$INSTRUMENT: JEOL JMS-D-100
AC$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$SPLASH: splash10-0ce9-2950000000-8a601d71efa53085f70f
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  43 38.6 386
  56 18.18 182
  57 9.09 91
  69 32.39 324
  70 9.09 91
  71 15.91 159
  82 15.91 159
  85 9.66 97
  91 17.05 171
  93 10.8 108
  95 20.45 205
  96 17.05 171
  97 12.5 125
  98 9.66 97
  105 16.47 165
  106 13.64 136
  107 14.21 142
  109 14.77 148
  110 9.66 97
  112 9.66 97
  117 8.52 85
  119 14.77 148
  120 15.91 159
  121 14.77 148
  122 15.91 159
  123 21.59 216
  124 9.09 91
  131 26.14 261
  132 11.36 114
  133 23.86 239
  134 11.36 114
  135 20.45 205
  136 20.45 205
  137 16.48 165
  143 14.44 144
  144 10.23 102
  145 30.68 307
  147 17.05 171
  148 9.09 91
  149 69.32 693
  150 14.77 148
  151 16.47 165
  155 10.23 102
  159 48.86 489
  160 16.47 165
  161 32.95 330
  162 11.36 114
  163 16.47 165
  164 9.66 97
  165 13.64 136
  169 11.36 114
  170 16.47 165
  171 18.18 182
  172 9.66 97
  173 18.18 182
  174 9.66 97
  175 7.95 80
  176 26.14 261
  177 47.73 477
  178 26.14 261
  183 10.23 102
  187 23.86 239
  188 16.48 165
  189 14.2 142
  190 16.48 165
  191 25 250
  192 47.61 476
  198 13.64 136
  199 15.91 159
  201 23.29 233
  203 9.09 91
  204 9.66 97
  205 51.14 511
  206 44.32 443
  211 9.66 97
  215 27.27 273
  216 42.05 421
  217 15.91 159
  219 99.99 999
  220 15.91 159
  223 18.18 182
  233 94.76 948
  244 23.9 239
  246 13.19 132
  247 10.02 100
  262 78.7 787
  263 9.66 97
//