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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
Abstract
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.
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Cited by
Metabolite profiling: from diagnostics to systems biology
Fernie, A. R., Trethewey, R. N., Krotzky, A. J., & Willmitzer, L. (2004) · Nature Reviews Molecular Cell Biology · doi:10.1038/nrm1451 · Cited by 844
HPLC-MS-based methods for the study of metabonomics
WILSON, I., PLUMB, R., GRANGER, J., MAJOR, H., WILLIAMS, R., & LENZ, E. (2005) · Journal of Chromatography B · doi:10.1016/j.jchromb.2004.07.045 · Cited by 447
Self-citationMass spectrometric based approaches in urine metabolomics and biomarker discovery
Khamis, M. M., Adamko, D. J., & El‐Aneed, A. (2017) · Mass Spectrometry Reviews · doi:10.1002/mas.21455 · Cited by 342
Elucidating mechanisms of drug-induced toxicity
Liebler, D. C., & Guengerich, F. P. (2005) · Nature Reviews Drug Discovery · doi:10.1038/nrd1720 · Cited by 323
Dunn, W. B. (2008) · Physical Biology · doi:10.1088/1478-3975/5/1/011001 · Cited by 278
Metadata
- Authors
- Plumb, R. S., Stumpf, C. L., Granger, J. H., Castro‐Perez, J., Haselden, J. N., & Dear, G. J.
- Venue
- Rapid Communications in Mass Spectrometry
- Publisher
- Wiley
- Published
- 2003-11-05
- Volume
- 17
- Issue
- 23
- Pages
- 2632-2638
- ISSN
- 0951-4198 (ISSN-L)
- 1097-0231
- OpenAlex
- W2029274167
- Cited by
- 193
- References
- 0
- FWCI
- 4.93
- Type
- journal article
- Language
- en
- Open access
- closed
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- Plumb, R. S., Stumpf, C. L., Granger, J. H., Castro‐Perez, J., Haselden, J. N., & Dear, G. J. (2003). Use of liquid chromatography/time‐of‐flight mass spectrometry and multivariate statistical analysis shows promise for the detection of drug metabolites in biological fluids. Rapid Communications in Mass Spectrometry. https://doi.org/10.1002/rcm.1250
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
