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DECANE; CI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005205
RECORD_TITLE: DECANE; CI-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

CH$NAME: DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCCCCCC
CH$IUPAC: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY DIOQZVSQGTUSAI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024913

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-9000000000-9f57f6bcf77f0eac8db3
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  84 2.66 27
  85 99.99 999
  86 6.22 62
  98 1.92 19
  99 15.28 153
  100 1.06 11
  113 0.92 9
  140 2.28 23
  141 7.87 79
  142 1.78 18
//

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system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.