ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012206
RECORD_TITLE: 4-METHYL-1-PENTENE; 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$NAME: 4-METHYL-1-PENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: C=CCC(C)C
CH$IUPAC: InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
CH$LINK: CAS 691-37-2
CH$LINK: INCHIKEY WSSSPWUEQFSQQG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061001

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$SPLASH: splash10-000i-9000000000-d2032850b46d247f83b6
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 4.92 49
  56 9.56 96
  57 37.35 374
  58 1.66 17
  69 42.37 424
  70 2.65 27
  71 19.74 197
  72 1.11 11
  83 40.78 408
  84 6.75 68
  85 99.99 999
  86 6.62 66
//