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Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData)

Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData)

J. W. De Leeuw

ISBN: 978-0-471-64798-0 December 2003 4 Pages


This high-quality database for the organic, geo, and/or petrochemist features:

  • 1,100 mass spectra of well-defined compounds
  • Information including mass spectra, chemical structure, chemical name, molecular formula, molecular weight (nominal mass), base peak, reference, and measurement condition
  • Chemical structures elucidated, if necessary, by a variety of techniques including NMR spectroscopy and single-crystal x-ray structure analysis

The spectra were collected during an extensive project on the occurrence of resistant biomacromolecules and lipids in sedimentary organic matter and mechanisms of fossil fuel generation, as well as the chemistry of organic sulphur in the geosphere. The spectra have been measured by J. W. de Leeuw's group in the Department of Marine Biogeochemistry at the Netherlands Institute of Sea Research (NIOZ). The substances have been carefully isolated and purified. Substance classes include saturated and unsaturated aromatic hydrocarbons, aromatic and non-aromatic sulphur and oxygen compounds, terpenes, and steroids and their degradation products.


  • Agilent ChemStation, MassHunter
  • Bruker MS Workstation
  • Chromatec Analytic
  • JEOL msFineAnalysis
  • LECO ChromaTOF
  • NIST MS Search
  • Scion MS Workstation
  • Shimadzu GCMSsolution
  • Thermo Chromeleon, TraceFinder, Xcalibur