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Calibration and data processing in gas chromatography combustion isotope ratio mass spectrometry
Author(s) -
Zhang Ying,
Tobias Herbert J.,
Sacks Gavin L.,
Thomas Brenna J.
Publication year - 2012
Publication title -
drug testing and analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.065
H-Index - 54
eISSN - 1942-7611
pISSN - 1942-7603
DOI - 10.1002/dta.394
Subject(s) - isotopologue , isotope ratio mass spectrometry , chemistry , mass spectrometry , calibration , combustion , calibration curve , context (archaeology) , gas chromatography , isotope , chromatography , analytical chemistry (journal) , detection limit , statistics , mathematics , organic chemistry , geology , physics , molecule , paleontology , quantum mechanics
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 Δ 13 C = δ 13 C M – δ 13 C E 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. Copyright © 2012 John Wiley & Sons, Ltd.