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Use of liquid chromatography/time‐of‐flight mass spectrometry and multivariate statistical analysis shows promise for the detection of drug metabolites in biological fluids
Author(s) -
Plumb Robert S.,
Stumpf Chris L.,
Granger Jennifer H.,
CastroPerez Jose,
Haselden John N.,
Dear Gordon J.
Publication year - 2003
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.1250
Subject(s) - chemistry , chromatography , mass spectrometry , metabolite , liquid chromatography–mass spectrometry , metabolomics , metabolite profiling , tandem mass spectrometry , biological fluids , time of flight mass spectrometry , biochemistry , ion , organic chemistry , ionization
The process of metabolite identification is essential to the drug discovery and development process; this is usually achieved by liquid chromatography/tandem mass spectrometry (LC/MS/MS) or a combination of liquid chromatography/mass spectrometry (LC/MS) and nuclear magnetic resonance (NMR) spectroscopy. Metabolite identification is, however, a time‐consuming process requiring an experienced skilled scientist. Multivariate statistical analysis has been used in the field of metabonomics to elucidate differences in endogenous biological profiling due to a toxic effect or a disease state. In this paper we show how a combination of liquid chromatography/time‐of‐flight mass spectrometry (LC/TOFMS) and multivariate statistical analysis can be used to detect drug metabolites in a biological fluid with no prior knowledge of the compound administered. Copyright © 2003 John Wiley & Sons, Ltd.