ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012215
RECORD_TITLE: CIS-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$NAME: CIS-2-OCTENE
CH$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$LINK: CAS 13389-42-9
CH$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$SPLASH: splash10-0c00-9200000000-28e4484ead0a2f57d1e2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  55 27.89 279
  56 2.49 25
  57 97.93 979
  58 4.06 41
  69 36.42 364
  70 3.87 39
  71 99.99 999
  72 5.12 51
  83 8.45 85
  84 1.33 13
  85 13.49 135
  97 11.55 116
  99 2.82 28
  111 46.72 467
  112 9.35 94
  113 18.02 180
  114 1.44 14
//