ACCESSION: JP006298
RECORD_TITLE: HEXAMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEXAMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: Cc(c(C)1)c(C)c(C)c(C)c(C)1
CH$IUPAC: InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
CH$LINK: CAS 87-85-4
CH$LINK: INCHIKEY YUWFEBAXEOLKSG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3058957

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 30 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-6900000000-31582e2e75d205211df9
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  15 10.37 104
  28 9.77 98
  29 16.47 165
  38 1.27 13
  39 23.38 234
  40 3.86 39
  41 21.05 211
  42 2.28 23
  43 1.07 11
  50 3.75 38
  51 12.11 121
  52 5.07 51
  53 12.15 122
  54 1.52 15
  55 5.29 53
  62 1.27 13
  63 6.01 60
  64 2.45 25
  65 9.57 96
  66 2.18 22
  67 2.12 21
  74 0.93 9
  75 1.39 14
  76 0.93 9
  77 13.85 139
  78 4.21 42
  79 7.49 75
  80 0.84 8
  81 1.24 12
  89 1.78 18
  91 22.84 228
  92 2.79 28
  93 3.85 39
  102 1.33 13
  103 4.11 41
  104 1.92 19
  105 13.91 139
  106 2.17 22
  107 2.87 29
  108 1.23 12
  115 11.56 116
  116 5.39 54
  117 8.75 88
  118 1.88 19
  119 11.59 116
  120 2 20
  121 1.01 10
  122 0.76 8
  127 1.82 18
  128 5.65 57
  129 5.62 56
  130 2.86 29
  131 7.15 72
  132 2.44 24
  133 9.48 95
  134 1.4 14
  141 0.71 7
  143 0.56 6
  145 2.38 24
  146 1.13 11
  147 99.99 999
  148 13.17 132
  149 0.95 10
  160 0.68 7
  161 5.99 60
  162 55.9 559
  163 7.81 78
  164 0.67 7
//