ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002114
RECORD_TITLE: 1-OCTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1-OCTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCCCCCC=C
CH$IUPAC: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
CH$LINK: INCHIKEY KWKAKUADMBZCLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025804

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9000000000-0d12e31b62f696bdc7ed
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  26 1.51 15
  27 25.56 256
  28 6.51 65
  29 41.27 413
  39 23.1 231
  40 3.65 37
  41 76.19 762
  42 58.81 588
  43 99.99 999
  44 5.4 54
  45 3.33 33
  53 6.03 60
  54 8.89 89
  55 92.46 925
  56 68.65 687
  57 28.73 287
  58 4.29 43
  60 6.75 68
  67 6.98 70
  68 7.46 75
  69 44.44 444
  70 61.27 613
  71 13.97 140
  72 2.78 28
  73 3.89 39
  81 3.65 37
  82 6.43 64
  83 26.9 269
  84 15.87 159
  85 5.24 52
  87 1.59 16
  95 1.59 16
  97 5.4 54
  99 3.57 36
  111 2.62 26
  112 7.3 73
  113 2.3 23
//