ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012217
RECORD_TITLE: CIS-3-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$NAME: CIS-3-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCC=CCC
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
CH$LINK: CAS 14919-01-8
CH$LINK: INCHIKEY YCTDZYMMFQCTEO-FNORWQNLSA-N
CH$LINK: COMPTOX DTXSID90872995

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$SPLASH: splash10-0c00-9200000000-3554d3c6e1af9751a568
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  55 15.02 150
  56 1.21 12
  57 95.03 950
  58 4.16 42
  69 39.63 396
  70 4.39 44
  71 99.99 999
  72 5.27 53
  83 9.78 98
  84 1.54 15
  85 13.3 133
  97 23.08 231
  98 1.73 17
  99 3.73 37
  111 53.62 536
  112 12.27 123
  113 24.93 249
  114 1.97 20
  125 1.1 11
//