ACCESSION: JP012214
RECORD_TITLE: 1-OCTENE; 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$NAME: 1-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCCCC=C
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
CH$LINK: CAS 111-66-0
CH$LINK: INCHIKEY KWKAKUADMBZCLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025804

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$SPLASH: splash10-0c00-9200000000-aaad45069e2199eb6947
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55 23.19 232
  56 2.51 25
  57 99.99 999
  58 4.55 46
  69 37.98 380
  70 4.38 44
  71 99.15 992
  72 4.99 50
  83 11.05 111
  84 2.01 20
  85 12.5 125
  97 11.78 118
  99 3.02 30
  111 44.02 440
  112 8 80
  113 19.6 196
  114 1.57 16
  125 1.26 13
//