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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012160

DODECANE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012160
RECORD_TITLE: DODECANE; 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

CH$NAME: DODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26
CH$EXACT_MASS: 170.20345
CH$SMILES: CCCCCCCCCCCC
CH$IUPAC: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: CAS 112-40-3
CH$LINK: INCHIKEY SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026913

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

PK$SPLASH: splash10-014i-4900000000-77ecfe81dc6e88ed28fa
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 11.7 117
  71 17.26 173
  85 21.34 213
  86 1.4 14
  99 16.62 166
  100 1.29 13
  113 11.68 117
  114 1.02 10
  127 4.81 48
  141 2.03 20
  155 6.89 69
  169 99.99 999
  170 14.76 148
  171 1 10
//

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