ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010773
RECORD_TITLE: METHYLCYCLOHEXANE; 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$NAME: METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047749

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$SPLASH: splash10-053r-9000000000-1d6fe03d5b8dd455886e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  29 2.2 22
  41 17.5 175
  42 20.1 201
  43 0.44 4
  54 2.2 22
  55 54.1 541
  56 25.8 258
  57 0.44 4
  67 2.2 22
  68 8.7 87
  69 20.1 201
  70 2.23 22
  71 1.3 13
  82 16.6 166
  83 99.99 999
  84 0.7 7
  97 2.6 26
  98 48.5 485
  99 4.4 44
//