Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData)
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 extensive project on the occurence 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, unsaturated and aromatic hydrocarbons, aromatic and non-aromatic sulphur and oxygen compounds, terpenes, steroids and their degradation products.
Availablity: Benchtop/SPC, Excalibur, Finnigan GCQ, Finnigan TSQ, Finnigan SSQ, Finnigan Ion-Trap, Finnigan INCOS, Fisons VG Masslab, Agilent Chemstation, NetCDF, NIST, Shimadzu QP-5000, Varian ITS-40