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MassBank Record: JP009709

HEXAMETHYLBENZENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP009709
RECORD_TITLE: HEXAMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$LINK: INCHIKEY YUWFEBAXEOLKSG-UHFFFAOYSA-N
CH$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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ot-0900000000-c83ad462b100f4de117a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41 1.17 12
  91 1.68 17
  93 1 10
  105 2.41 24
  107 1.36 14
  117 1.56 16
  119 3.44 34
  131 1.98 20
  132 1.08 11
  133 1.81 18
  145 1.08 11
  147 99.99 999
  148 11.95 120
  161 5.95 60
  162 86.79 868
  163 11.5 115
//

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