ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012295
RECORD_TITLE: HEXAMETHYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
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$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-03di-0900000000-19244e10142ae35759a4
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  147 1.68 17
  161 64.56 646
  162 33.65 337
  163 99.99 999
  164 12.81 128
  191 10.56 106
  192 1.54 15
  203 1.6 16
//