ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012216
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCCC=CC
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
CH$LINK: CAS 7642-04-8
CH$LINK: INCHIKEY ILPBINAXDRFYPL-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID30872994

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$SPLASH: splash10-0c00-9300000000-44b3f0fa1229f13ab853
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55 32.18 322
  56 2.59 26
  57 97.2 972
  58 4.15 42
  69 37.55 376
  70 4.07 41
  71 99.99 999
  72 5.38 54
  83 8.3 83
  84 1.53 15
  85 12.08 121
  97 13.25 133
  98 1.06 11
  99 2.32 23
  111 73.32 733
  112 13.2 132
  113 22.62 226
  114 1.94 19
//