ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006370
RECORD_TITLE: 4,4A,5,6,7,8-HEXAHYDRO-1,4A-DIMETHYL-2(3H)-NAPHTHALENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4,4A,5,6,7,8-HEXAHYDRO-1,4A-DIMETHYL-2(3H)-NAPHTHALENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O
CH$EXACT_MASS: 178.13577
CH$SMILES: O=C(C1)C(C)=C(C2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C12H18O/c1-9-10-5-3-4-7-12(10,2)8-6-11(9)13/h3-8H2,1-2H3
CH$LINK: INCHIKEY WNVZKCBLUKHUBI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:277093
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-052f-8900000000-f7d6d70a8da1dc7bd160
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39 17.33 173
  41 27.96 280
  42 5.92 59
  43 99.99 999
  53 12.52 125
  55 35.67 357
  57 14.6 146
  58 27.19 272
  65 8.33 83
  67 27.82 278
  68 5.47 55
  69 11.97 120
  77 16.34 163
  79 27.6 276
  80 5.54 55
  81 20.13 201
  83 6.99 70
  91 22.34 223
  93 34 340
  94 8.32 83
  95 19.64 196
  97 6.45 65
  105 14.6 146
  107 31.92 319
  108 9.6 96
  109 35.67 357
  110 14.52 145
  111 14.65 147
  112 13.96 140
  119 9.05 91
  121 32.78 328
  122 11.37 114
  123 18.35 184
  124 7.73 77
  133 13.66 137
  135 32.38 324
  136 32.16 322
  137 21.85 219
  138 8.16 82
  139 5.06 51
  147 6.62 66
  149 16.51 165
  150 9.19 92
  151 11.71 117
  161 6.18 62
  163 23.4 234
  164 5.36 54
  165 7.31 73
  166 6.92 69
  176 6.41 64
  177 25.6 256
  178 3.53 35
  179 9.26 93
//
