ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012191
RECORD_TITLE: BUTYLCYCLOHEXANE; 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$NAME: BUTYLCYCLOHEXANE
CH$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$LINK: CAS 1678-93-9
CH$LINK: INCHIKEY GGBJHURWWWLEQH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061876

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$SPLASH: splash10-000i-2900000000-060457139701137f2400
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  57 3.52 35
  69 2.48 25
  71 3.04 30
  83 10.68 107
  85 3.57 36
  97 6.09 61
  99 1.71 17
  111 2.69 27
  125 6.58 66
  139 99.99 999
  140 13.47 135
  141 3.13 31
//