ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004695
RECORD_TITLE: OCTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: OCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CCCCCCCC
CH$IUPAC: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
CH$LINK: CAS 111-65-9
CH$LINK: INCHIKEY TVMXDCGIABBOFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026882

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052o-9000000000-dff2329c36bee36d9e67
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42 14.07 141
  43 99.99 999
  44 2.54 25
  45 4.03 40
  53 1.58 16
  55 19.83 198
  56 25.78 258
  57 56.51 565
  58 6.03 60
  59 4.44 44
  69 5.22 52
  70 20.51 205
  71 34.27 343
  72 2.17 22
  74 2.85 29
  83 1.86 19
  84 15.56 156
  85 60 600
  86 3.81 38
  97 14.34 143
  98 1.58 16
  99 1.22 12
  112 3.76 38
  114 12.48 125
//