Calibration and data processing in gas chromatography combustion isotope ratio mass spectrometry

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Deutscher übersetzter Titel:Kalibrierung und Datenverarbeitung bei der Gaschromatographie-Combustion-Isotopenverhältnis-Massenspektrometrie
Autor:Zhang, Ying; Tobias, Herbert J.; Sacks, Gavin L.; Brenna, J. Thomas
Erschienen in:Drug testing and analysis
Veröffentlicht:4 (2012), 12 (Stable isotope ratio analysis in sports anti-doping), S. 912-922, Lit.
Format: Literatur (SPOLIT)
Publikationstyp: Zeitschriftenartikel
Medienart: Gedruckte Ressource Elektronische Ressource (online)
Sprache:Englisch
ISSN:1942-7603, 1942-7611
DOI:10.1002/dta.394
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Erfassungsnummer:PU201301000591
Quelle:BISp

Abstract

Compound-specific isotope analysis (CSIA) by gas chromatography combustion isotope ratio mass spectrometry (GCC-IRMS) is a powerful technique for the sourcing of substances, such as determination of the geographic or chemical origin of drugs and food adulteration, and it is especially invaluable as a confirmatory tool for detection of the use of synthetic steroids in competitive sport. We review here principles and practices for data processing and calibration of GCC-IRMS data with consideration to anti-doping analyses, with a focus on carbon isotopic analysis (13 C/12 C). After a brief review of peak definition, the isotopologue signal reduction methods of summation, curve-fitting, and linear regression are described and reviewed. Principles for isotopic calibration are considered in the context of the Δ13C = δ13CM – δ13CE difference measurements required for establishing adverse analytical findings for metabolites (M) relative to endogenous (E) reference compounds. Considerations for the anti-doping analyst are reviewed. Verf.-Referat