ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012213
RECORD_TITLE: CYCLOOCTENE; 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$NAME: CYCLOOCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄
CH$EXACT_MASS: 110.10955
CH$SMILES: C(C1)CCC=CCC1
CH$IUPAC: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
CH$LINK: CAS 931-88-4
CH$LINK: INCHIKEY URYYVOIYTNXXBN-UPHRSURJSA-N
CH$LINK: COMPTOX DTXSID20883615

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$SPLASH: splash10-0cdi-9800000000-33607f8ff1b6bfbcfc02
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  54 1.13 11
  55 25.59 256
  56 1.17 12
  57 3.28 33
  67 18.92 189
  68 2.48 25
  69 99.69 997
  70 5.73 57
  71 1.79 18
  81 4.06 41
  82 6.5 65
  83 20.98 210
  84 1.54 15
  95 5.31 53
  97 10.28 103
  109 99.99 999
  110 13.94 139
  111 83.46 835
  112 7.6 76
//