Urine profiling using capillary electrophoresis-mass spectrometry and multivariate data analysis |
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Authors: | Ullsten Sara Danielsson Rolf Bäckström Daniel Sjöberg Per Bergquist Jonas |
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Institution: | Department of Analytical Chemistry, Biomedical Centre, Uppsala University, P.O. Box 599, SE-751 24 Uppsala, Sweden. |
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Abstract: | This work presents the development of a general and fast method for metabolic profiling of urine, using capillary electrophoresis-electrospray ionisation mass spectrometry (CE-ESIMS) and multivariate data analysis (DA). Human urine samples collected before and after ingestion of paracetamol were analysed at acidic and basic CE conditions, using both positive and negative ESI-MS detection. Analysis of the entire resulting data set, with no prior knowledge of the target compounds, using pair-wise 'fuzzy' correlation and eigenvalue analysis enabled the samples to be discriminated between on the basis of blank urine and urine collected after drug intake. By generating two-dimensional loadings plots, it was also possible to identify the m/z values of the substances responsible for the differentiation between control and dosed samples. |
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