MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012168

OCTADECANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012168
RECORD_TITLE: OCTADECANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: OCTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₈
CH$EXACT_MASS: 254.29735
CH$SMILES: CCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: CAS 593-45-3
CH$LINK: INCHIKEY RZJRJXONCZWCBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047172

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AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-0udi-0190000000-e095b5b638fe9b51c642
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  85 4.99 50
  99 3.53 35
  113 3.5 35
  127 3.39 34
  141 3.36 34
  155 3.19 32
  169 3.16 32
  183 2.89 29
  197 2.96 30
  211 2.65 27
  225 3.43 34
  239 11.76 118
  240 2.08 21
  253 99.99 999
  254 19.58 196
  255 1.91 19
//