MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012163

TETRADECANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012163
RECORD_TITLE: TETRADECANE; 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$NAME: TETRADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀
CH$EXACT_MASS: 198.23475
CH$SMILES: CCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
CH$LINK: CAS 629-59-4
CH$LINK: INCHIKEY BGHCVCJVXZWKCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027267

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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$SPLASH: splash10-0002-1900000000-8c2331bed6a10288665e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 5.42 54
  71 6.95 70
  85 11 110
  99 8.77 88
  113 8.7 87
  127 7.35 74
  141 5.35 54
  155 2.97 30
  169 2.48 25
  183 9.25 93
  184 1.3 13
  197 99.99 999
  198 16.57 166
  199 1.32 13
//