ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012219
RECORD_TITLE: CIS-4-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$NAME: CIS-4-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCC=CCCC
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
CH$LINK: CAS 14850-23-8
CH$LINK: INCHIKEY IRUCBBFNLDIMIK-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID10872997

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$SPLASH: splash10-0ab9-9100000000-b3cc9fb085fff655b680
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55 21.45 215
  56 1.97 20
  57 99.99 999
  58 4.05 41
  69 25.32 253
  70 3.03 30
  71 99.19 992
  72 5.09 51
  83 16.65 167
  84 1.59 16
  85 14.28 143
  97 16.47 165
  98 1.17 12
  99 3.19 32
  111 39.08 391
  112 9.19 92
  113 18.96 190
  114 1.57 16
//