ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012175
RECORD_TITLE: METHYLCYCLOPENTANE; 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$NAME: METHYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: CC(C1)CCC1
CH$IUPAC: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
CH$LINK: CAS 96-37-7
CH$LINK: COMPTOX DTXSID3025590
CH$LINK: INCHIKEY GDOPTJXRTPNYNR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7296

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$SPLASH: splash10-001i-9000000000-89652fbd27509594b619
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57 12.29 123
  69 24.77 248
  70 1.43 14
  83 99.99 999
  84 13.85 139
  85 45.07 451
  86 3.18 32
//