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Analyst | 2003

Metabonomic analysis of mouse urine by liquid-chromatography-time of flight mass spectrometry (LC-TOFMS): detection of strain, diurnal and gender differences

Robert S. Plumb; Jennifer H. Granger; Chris L. Stumpf; Ian D. Wilson; Julie A. Evans; Eva M. Lenz

The application of HPLC-MS combined with principal components analysis (PCA) to the metabonomic analysis of mouse urine is demonstrated. Urine samples from three strains of mouse were analysed by gradient HPLC-MS combined with positive and negative electrospray time-of-flight mass spectrometry. Analysis of the resulting data using PCA enabled the samples to be discriminated between on the basis of gender, strain and diurnal variation. These preliminary results suggest that HPLC-MS-based approaches may have a useful role in metabonomic analysis that complements existing approaches.


Molecular BioSystems | 2006

A multi-analytical platform approach to the metabonomic analysis of plasma from normal and zucker (fa/fa) obese rats

Rebecca Williams; Eva M. Lenz; Amy Wilson; Jennifer H. Granger; Ian D. Wilson; Hilary Major; Chris L. Stumpf; Robert S. Plumb

Plasma obtained from 20 week old normal Wistar-derived and Zucker (fa/fa) rats was analysed using a number of different analytical methodologies to obtain global metabolite profiles as part of metabonomic investigations of animal models of diabetes. Samples were analysed without sample pre-treatment using 1H NMR spectroscopy, after acetonitrile solvent protein precipitation by ultra-performance liquid chromatography-MS (UPLC-MS) and after acetonitrile protein precipitation and derivatisation for capillary gas chromatography-MS (GC-MS). Subsequent data analysis using principal components analysis revealed that all three analytical platforms readily detected differences between the plasma metabolite profiles of the two strains of rat. There was only limited overlap between the metabolites detected by the different methodologies and the combination of all three methods of metabolite profiling therefore provided a much more comprehensive profile than would have been provided by their use individually.


Analytical Chemistry | 2006

Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets : Application in metabonomic toxicology studies

Derek J. Crockford; Elaine Holmes; John C. Lindon; Robert S. Plumb; Severine Zirah; Stephen J. Bruce; Paul Rainville; Chris L. Stumpf; Jeremy K. Nicholson


Rapid Communications in Mass Spectrometry | 2002

Metabonomics: the use of electrospray mass spectrometry coupled to reversed‐phase liquid chromatography shows potential for the screening of rat urine in drug development

Robert S. Plumb; Chris L. Stumpf; Marc V. Gorenstein; Jose Castro-Perez; Gordon J. Dear; Maria Anthony; Brian C. Sweatman; Susan C. Connor; John N. Haselden


Analyst | 2005

A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice

Robert S. Plumb; Jennifer H. Granger; Chris L. Stumpf; Kelly A. Johnson; Brian W. Smith; Scott Gaulitz; Ian D. Wilson; Jose Castro-Perez


Rapid Communications in Mass Spectrometry | 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

Robert S. Plumb; Chris L. Stumpf; Jennifer H. Granger; Jose Castro-Perez; John N. Haselden; Gordon J. Dear


Journal of Proteome Research | 2007

Novel application of reversed-phase UPLC-oaTOF-MS for lipid analysis in complex biological mixtures: a new tool for lipidomics.

Paul Rainville; Chris L. Stumpf; John P. Shockcor; Robert S. Plumb; Jeremy K. Nicholson


Journal of Pharmaceutical and Biomedical Analysis | 2005

A combined 1H NMR and HPLC-MS-based metabonomic study of urine from obese (fa/fa) Zucker and normal wistar-derived rats

Rebecca Williams; Eva M. Lenz; Julie A. Evans; Ian D. Wilson; Jennifer H. Granger; Robert S. Plumb; Chris L. Stumpf


Archive | 2005

Apparatus and Method For Identifying Peaks In Liquid Chromatography/Mass Spectrometry And For Forming Spectra And Chromatograms

Marc V. Gorenstein; Robert S. Plumb; Chris L. Stumpf


Analytical Chemistry | 2006

Statistical Search Space Reduction and Two-Dimensional Data Display Approaches for UPLC-MS in Biomarker Discovery and Pathway Analysis

Derek J. Crockford; John C. Lindon; Olivier Cloarec; Robert S. Plumb; Stephen J. Bruce; Severine Zirah; Paul Rainville; Chris L. Stumpf; Kelly A. Johnson; Elaine Holmes; Jeremy K. Nicholson

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