ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006002
RECORD_TITLE: 4-METHYLCYCLOHEXENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: CC(C1)CC=CC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
CH$LINK: INCHIKEY FSWCCQWDVGZMRD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862257

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0f89-9000000000-2003bae27c056dbc8217
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  39 5.3 53
  53 5.2 52
  54 57.3 573
  55 28.9 289
  56 0.17 2
  69 1.3 13
  77 0.6 6
  79 0.39 4
  81 99.99 999
  82 6.5 65
  95 5.6 56
  96 4.67 47
  97 3.3 33
//