ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012185
RECORD_TITLE: PROPYLCYCLOHEXANE; 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$NAME: PROPYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCC(C1)CCCC1
CH$IUPAC: InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
CH$LINK: CAS 1678-92-8
CH$LINK: INCHIKEY DEDZSLCZHWTGOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4074699

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$SPLASH: splash10-004i-1900000000-60bc6fa3a46c52a558b2
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57 3.21 32
  69 2.94 29
  71 4.74 47
  83 5.86 59
  85 3.22 32
  97 3.74 37
  111 7.89 79
  125 99.99 999
  126 12.11 121
  127 2.45 25
//