MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012162

TRIDECANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012162
RECORD_TITLE: TRIDECANE; 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$NAME: TRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈
CH$EXACT_MASS: 184.21910
CH$SMILES: CCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
CH$LINK: CAS 629-50-5
CH$LINK: INCHIKEY IIYFAKIEWZDVMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027266

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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$SPLASH: splash10-001i-3900000000-f603ed062b076f6497be
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  57 9.61 96
  71 14.29 143
  85 18.75 188
  86 1.18 12
  99 15.14 151
  100 1.16 12
  113 12.92 129
  114 1.1 11
  127 8.63 86
  141 3.9 39
  155 2.32 23
  169 8.36 84
  170 1.11 11
  183 99.99 999
  184 15.33 153
  185 1.07 11
//