ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002089
RECORD_TITLE: 8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-8-OL-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$NAME: 8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-8-OL-12-ONE
CH$NAME: ATRACTYLENOLIDE 3
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₃
CH$EXACT_MASS: 248.14124
CH$SMILES: O=C(O1)C(C)=C(C2)C(O)1CC(C)(C3)C([H])(C(=C)CC3)2
CH$IUPAC: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
CH$LINK: INCHIKEY FBMORZZOJSDNRQ-GLQYFDAESA-N
CH$LINK: COMPTOX DTXSID50223308

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$SPLASH: splash10-067j-5930000000-3d0c0b5096123dcc9849
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  17 5.4 54
  18 39.5 395
  28 5.4 54
  29 0.6 6
  39 7.6 76
  41 29.7 297
  43 17.3 173
  44 0.43 4
  52 2.7 27
  53 23.2 232
  54 4.9 49
  55 2.16 22
  56 3.8 38
  57 6 60
  65 5.4 54
  66 0.32 3
  67 22.7 227
  68 14.1 141
  69 25.4 254
  70 0.54 5
  77 26.5 265
  78 8.6 86
  79 39.5 395
  80 1.19 12
  81 23.2 232
  82 6.5 65
  83 8.6 86
  91 4.92 49
  92 9.2 92
  93 39.5 395
  94 10.8 108
  95 1.57 16
  96 4.3 43
  97 3.2 32
  98 8.1 81
  99 0.81 8
  103 7 70
  104 4.9 49
  105 38.9 389
  106 1.03 10
  107 34.1 341
  108 20 200
  109 10.3 103
  112 0.43 4
  115 4.3 43
  116 4.9 49
  117 16.8 168
  118 0.7 7
  119 26 260
  120 10.3 103
  121 48.6 486
  122 1.62 16
  123 8.1 81
  124 4.9 49
  125 2.7 27
  126 0.7 7
  127 4.9 49
  128 7 70
  129 10.8 108
  130 0.6 6
  131 22.7 227
  132 7.6 76
  133 17.3 173
  134 1.35 14
  135 11.4 114
  136 5.4 54
  138 4.3 43
  141 0.38 4
  142 3.2 32
  143 6 60
  144 4.3 43
  145 2.22 22
  146 16.8 168
  147 84.9 849
  148 19.5 195
  149 0.97 10
  150 6 60
  151 3.8 38
  157 5.4 54
  158 0.32 3
  159 27.6 276
  160 24.3 243
  161 21.6 216
  162 2.22 22
  163 4.9 49
  164 4.9 49
  165 3.2 32
  169 0.38 4
  172 3.8 38
  173 17.8 178
  174 28.7 287
  175 2.43 24
  176 6 60
  177 9.2 92
  178 3.2 32
  185 0.54 5
  186 6.5 65
  187 30.3 303
  188 13.5 135
  189 0.7 7
  190 3.8 38
  191 2 20
  192 8.1 81
  201 3.51 35
  202 25.4 254
  203 23.2 232
  204 11.9 119
  205 1.95 20
  206 4.3 43
  215 99.99 999
  216 17.8 178
  217 0.38 4
  220 29.7 297
  221 4.9 49
  230 82.2 822
  231 1.78 18
  233 3.2 32
  248 9.2 92
//