ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002086
RECORD_TITLE: EUDESMA-4(14),7(11)-DIEN-8-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$NAME: EUDESMA-4(14),7(11)-DIEN-8-ONE
CH$NAME: 4-ISOPROPYLIDENE-1-METHYL-7-METHYLENE-TRANS-DECALIN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O
CH$EXACT_MASS: 218.16707
CH$SMILES: CC(C)=C(C(=O)1)CC([H])(C(=C)2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1
CH$LINK: INCHIKEY NKGSEACIYQINQJ-DZGCQCFKSA-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 60 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9410000000-0813cc1402d166ea3ed4
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  15 7.5 75
  17 3.2 32
  18 12.9 129
  26 0.43 4
  27 20.4 204
  28 31.2 312
  29 39.8 398
  32 0.75 8
  36 2.2 22
  38 2.2 22
  39 49.5 495
  40 1.29 13
  41 99.99 999
  42 10.8 108
  43 45.2 452
  44 0.54 5
  45 3.2 32
  50 2.2 22
  51 9.7 97
  52 0.43 4
  53 34.4 344
  54 7.5 75
  55 49.5 495
  56 0.54 5
  57 6.5 65
  58 8.6 86
  59 2.2 22
  63 0.32 3
  64 3.2 32
  65 21.5 215
  66 7.5 75
  67 5.27 53
  68 22.6 226
  69 19.4 194
  70 5.4 54
  71 0.43 4
  77 32.3 323
  78 9.7 97
  79 49.5 495
  80 1.4 14
  81 23.7 237
  82 8.6 86
  83 8.6 86
  84 0.22 2
  91 53.8 538
  92 11.8 118
  93 45.2 452
  94 0.86 9
  95 28 280
  96 12.9 129
  97 5.4 54
  98 0.22 2
  99 2.2 22
  103 5.4 54
  104 2.2 22
  105 3.01 30
  106 8.6 86
  107 34.4 344
  108 29 290
  109 1.4 14
  110 3.2 32
  111 2.2 22
  115 5.4 54
  116 0.32 3
  117 7.5 75
  118 4.3 43
  119 23.7 237
  120 0.75 8
  121 24.7 247
  122 12.9 129
  123 7.5 75
  124 0.22 2
  127 2.2 22
  128 3.2 32
  129 4.3 43
  131 0.86 9
  132 2.2 22
  133 37.6 376
  134 10.8 108
  135 2.37 24
  136 8.6 86
  137 6.5 65
  141 10.8 108
  142 2.2 22
  144 0.22 2
  145 6.5 65
  146 4.3 43
  147 35.5 355
  148 1.18 12
  149 18.3 183
  150 4.3 43
  151 2.2 22
  155 0.43 4
  157 2.2 22
  159 6.5 65
  160 2.2 22
  161 1.61 16
  162 10.8 108
  163 5.4 54
  164 2.2 22
  167 0.22 2
  169 2.2 22
  173 2.2 22
  174 2.2 22
  175 2.04 20
  176 5.4 54
  177 3.2 32
  179 2.2 22
  185 0.22 2
  189 3.2 32
  190 4.3 43
  203 11.8 118
  204 0.22 2
  216 3.2 32
  218 91.4 914
  219 11.8 118
  220 0.22 2
//