MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005323

OCTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005323
RECORD_TITLE: OCTANE; 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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-8dd19c0387246b61990c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 14.5 145
  28 2.91 29
  29 22.79 228
  39 8.36 84
  40 1.55 16
  41 31.63 316
  42 13.46 135
  43 99.99 999
  44 3.23 32
  53 1.35 14
  55 9.32 93
  56 14.92 149
  57 38.3 383
  58 1.55 16
  69 1.68 17
  70 15.02 150
  71 26.68 267
  72 1.55 16
  84 8.48 85
  85 38.91 389
  86 2.53 25
  114 14.63 146
  115 1.35 14
//