Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData)

Technique: GC-MS

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Overview

Optimize oil exploration and positively identify compounds with reliable biomarkers

Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData) is a high-quality database for organic, geo, and/or petrochemist featuring 1,093 mass spectra of well-defined compounds. 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.

Library Specifications

  • Mass Spectra: 1,093
  • Unique Compounds: >1,080

Compatibility

Agilent ChemStation, MassHunter, OpenLab
Bruker MS Workstation
Chromatec Analytic
JEOL msFineAnalysis
LECO ChromaTOF
NIST MS Search
PerkinElmer TurboMass
Scion MS Workstation
Shimadzu GCMSsolution
Thermo Chromeleon, TraceFinder, Xcalibur
Waters MassLynx

Other versions available:
ACD/Labs ACD/Spectrus Processor*
Bio-Rad KnowItAll®*
Wiley Spectra Lab*

*Subscription required

Compound Coverage

Compound coverage includes:
Aromatic Hydrocarbons
Aromatic Oxygen Compounds
Aromatic Sulphur
Degradation Products of Steroids
Non-aromatic Oxygen Compounds
Non-aromatic Sulphur
Saturated Hydrocarbons
Steroids
Terpenes
Unsaturated Hydrocarbons

Compound coverage can be searched at www.compoundsearch.com.