ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006873
RECORD_TITLE: OCTANE; 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$NAME: OCTANE
CH$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$LINK: INCHIKEY TVMXDCGIABBOFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026882

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-d2e1916d68421b915616
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 22.93 229
  29 33.63 336
  32 1.36 14
  39 14.21 142
  40 1.56 16
  41 41.61 416
  42 16.17 162
  43 99.99 999
  44 3.03 30
  53 2.23 22
  55 11.46 115
  56 19.58 196
  57 36.96 370
  58 1.9 19
  70 14.09 141
  71 22.74 227
  72 1.35 14
  84 5.96 60
  85 33.01 330
  86 1.83 18
  114 5.16 52
//