ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000290
RECORD_TITLE: BUTYLCYCLOHEXANE; 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$NAME: BUTYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀
CH$EXACT_MASS: 140.15650
CH$SMILES: CCCCC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY GGBJHURWWWLEQH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061876

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9000000000-603c89bf672005100849
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 13.2 132
  28 2.7 27
  29 15.8 158
  39 1.43 14
  40 2.2 22
  41 40.8 408
  42 7.9 79
  43 1 10
  51 1.2 12
  53 5.3 53
  54 7.6 76
  55 8.62 86
  56 13.8 138
  59 4.1 41
  65 1.2 12
  67 1.99 20
  68 4.4 44
  69 10.8 108
  70 5.7 57
  77 0.12 1
  79 1.5 15
  81 72.9 729
  83 99.99 999
  84 0.61 6
  96 1.1 11
  97 3.5 35
  98 1.1 11
  111 0.12 1
  140 23.9 239
  141 2.9 29
//