ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005153
RECORD_TITLE: 7-ISOPROPENYL-1,4A-DIMETHYL-3,4,5,6,7,8-HEXAHYDRO-2-NAPHTHALENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 7-ISOPROPENYL-1,4A-DIMETHYL-3,4,5,6,7,8-HEXAHYDRO-2-NAPHTHALENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O
CH$EXACT_MASS: 218.16707
CH$SMILES: CC(=C)C(C1)CC(=C(C)2)C(C)(CCC(=O)2)C1
CH$IUPAC: InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3
CH$LINK: INCHIKEY KUFXJZXMWHNCEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30297885
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-0006-7910000000-df760ddca07d59ed812c
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  38 1.25 13
  39 44.3 443
  40 8.54 85
  41 90.25 903
  42 6.24 62
  43 14.28 143
  45 0.96 10
  50 2.47 25
  51 14.55 146
  52 9.08 91
  53 52.28 523
  54 7.39 74
  55 54.28 543
  56 3.6 36
  57 2.56 26
  58 1.31 13
  59 0.87 9
  63 5.4 54
  64 3.64 36
  65 27.42 274
  66 10.44 104
  67 50.1 501
  68 9.41 94
  69 19.71 197
  70 2.1 21
  71 2.22 22
  72 0.86 9
  73 0.97 10
  74 1.48 15
  75 1.22 12
  76 1.15 12
  77 54.15 542
  78 13.76 138
  79 61.23 612
  80 17.83 178
  81 42.27 423
  82 17.83 178
  83 7.28 73
  86 1.3 13
  89 1.92 19
  91 72.58 726
  92 13.04 130
  93 70.3 703
  94 17.17 172
  95 37.83 378
  96 10.13 101
  97 9.42 94
  103 7.16 72
  104 4.13 41
  105 52.74 527
  106 17.24 172
  107 54.62 546
  108 36.98 370
  109 47.63 476
  110 20.03 200
  111 16.25 163
  112 1.87 19
  115 9.29 93
  116 4.21 42
  117 12.94 129
  118 5.47 55
  119 50.96 510
  120 23.52 235
  121 55.64 556
  122 29.53 295
  123 15.76 158
  124 20.83 208
  125 2.48 25
  127 1.68 17
  128 5.07 51
  129 5.81 58
  130 2.55 26
  131 12.55 126
  132 12.86 129
  133 48.68 487
  134 24.9 249
  135 27.53 275
  136 57.62 576
  137 46.69 467
  138 10.33 103
  141 1.58 16
  142 1.65 17
  143 6.91 69
  144 2.65 27
  145 9.48 95
  146 7.11 71
  147 67.17 672
  148 21.06 211
  149 11.65 117
  150 19.86 199
  151 3.29 33
  157 13.16 132
  158 2.94 29
  159 6.95 70
  160 5.43 54
  161 58.83 588
  162 28.66 287
  163 10.19 102
  164 2.15 22
  171 2.24 22
  172 3.05 31
  173 1.75 18
  174 1.91 19
  175 49.3 493
  176 21.78 218
  177 7.29 73
  185 10.84 108
  186 1.91 19
  189 8.32 83
  190 10.55 106
  191 1.7 17
  200 2.75 28
  201 3.54 35
  203 42.41 424
  204 7.03 70
  218 99.99 999
  219 18.38 184
  220 1.71 17
//
