ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001562
RECORD_TITLE: 1-OCTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-9c549655d7559b3ec197
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 2.16 22
  26 2.63 26
  27 39.72 397
  28 7.83 78
  29 48.1 481
  30 1.2 12
  38 1.67 17
  39 37.27 373
  40 6.18 62
  41 88.79 888
  42 65.52 655
  43 99.99 999
  44 3.5 35
  50 1.29 13
  51 3.12 31
  52 1.46 15
  53 8.79 88
  54 8.79 88
  55 84.02 840
  56 73.19 732
  57 16.22 162
  65 1.28 13
  67 5.09 51
  68 6.52 65
  69 36 360
  70 75.89 759
  71 11.35 114
  82 4.29 43
  83 26.44 264
  84 19.24 192
  85 2.47 25
  97 3.07 31
  112 21.45 215
  113 2.04 20
//