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HEXANE; CI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012131
RECORD_TITLE: HEXANE; 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$NAME: HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄
CH$EXACT_MASS: 86.10955
CH$SMILES: CCCCCC
CH$IUPAC: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
CH$LINK: CAS 110-54-3
CH$LINK: INCHIKEY VLKZOEOYAKHREP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021917

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$SPLASH: splash10-000i-9000000000-82853202ddc92c8709ae
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  57 15.4 154
  71 38.87 389
  72 2.43 24
  84 1.03 10
  85 99.99 999
  86 11.16 112
//

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Responsible: Tillmann G. Fischer

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