ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002087
RECORD_TITLE: 8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-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$NAME: 8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-12-ONE
CH$NAME: ATRACTYLENOLIDE 1
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈O₂
CH$EXACT_MASS: 230.13068
CH$SMILES: O=c(o1)c(C)c(C2)c1=C([H])C(C)(C3)C([H])(C(=C)CC3)2
CH$IUPAC: InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
CH$LINK: INCHIKEY ZTVSGQPHMUYCRS-SWLSCSKDSA-N

AC$INSTRUMENT: HITACHI RMU-7
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-017l-9840000000-050cff481c5e235bb45d
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  18 4.6 46
  27 39.1 391
  28 16.4 164
  29 1.91 19
  39 44.6 446
  40 8.2 82
  41 57.3 573
  43 1.55 16
  44 5.5 55
  45 5.5 55
  50 6.4 64
  51 1.91 19
  52 9.1 91
  53 43.6 436
  54 8.2 82
  55 2.27 23
  56 6.4 64
  57 8.2 82
  58 4.6 46
  62 0.55 6
  63 9.1 91
  64 6.4 64
  65 22.7 227
  66 0.91 9
  67 29.1 291
  68 8.2 82
  69 15.5 155
  70 0.55 6
  71 7.3 73
  72 4.6 46
  77 36.4 364
  78 1.18 12
  79 31.8 318
  80 7.3 73
  81 16.4 164
  82 0.64 6
  83 8.2 82
  84 4.6 46
  88 7.3 73
  91 4.55 46
  92 11.8 118
  93 30.9 309
  94 10 100
  95 1.18 12
  96 6.4 64
  97 4.6 46
  100 4.6 46
  103 0.82 8
  104 6.4 64
  105 26.4 264
  106 8.2 82
  107 1 10
  108 11.8 118
  109 8.2 82
  115 12.7 127
  116 0.64 6
  117 15.5 155
  118 6.4 64
  119 17.3 173
  120 0.82 8
  121 15.5 155
  122 6.4 64
  123 5.5 55
  124 0.46 5
  127 4.6 46
  128 9.1 91
  129 11.8 118
  130 0.73 7
  131 16.4 164
  132 6.4 64
  133 20.9 209
  134 1.18 12
  135 15.5 155
  136 5.5 55
  137 4.6 46
  138 0.55 6
  141 11.8 118
  142 4.6 46
  143 8.2 82
  144 0.73 7
  145 15.5 155
  146 9.1 91
  147 18.2 182
  148 1.82 18
  149 13.6 136
  150 7.3 73
  155 5.5 55
  157 0.46 5
  159 19.1 191
  160 23.6 236
  161 15.5 155
  162 2.46 25
  163 4.6 46
  165 4.6 46
  167 4.6 46
  169 0.55 6
  170 4.6 46
  171 4.6 46
  173 13.6 136
  174 2.36 24
  175 12.7 127
  176 4.6 46
  185 4.6 46
  186 0.55 6
  187 21.8 218
  188 15.5 155
  189 5.5 55
  201 3.55 36
  202 16.4 164
  203 7.3 73
  215 99.99 999
  216 1.91 19
  218 36.4 364
  219 7.3 73
  230 89.1 891
  231 17.3 173
//