ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012220
RECORD_TITLE: TRANS-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$NAME: TRANS-4-OCTENE
CH$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$LINK: CAS 7642-15-1
CH$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$SPLASH: splash10-0c00-9200000000-83010816574186d2dbdb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55 22.77 228
  56 2.07 21
  57 99.99 999
  58 4.13 41
  69 25.04 250
  70 3.1 31
  71 98.85 989
  72 5.18 52
  83 20.94 209
  84 1.99 20
  85 12.63 126
  97 19.5 195
  98 1.46 15
  99 2.81 28
  111 56.9 569
  112 11.14 111
  113 21.73 217
  114 1.78 18
//