title: Urine profiling using capillary electrophoresis-mass spectrometry and multivariate data analysis.
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.
authors.affiliation: Department of Analytical Chemistry, Biomedical Centre, Uppsala University, P.O. Box 599, SE-751 24 Uppsala, Sweden.
authors.forename: Sara
authors.initials: S
authors.lastname: Ullsten
authors.forename: Rolf
authors.initials: R
authors.lastname: Danielsson
authors.forename: Daniel
authors.initials: D
authors.lastname: Bäckström
authors.forename: Per
authors.initials: P
authors.lastname: Sjöberg
authors.forename: Jonas
authors.initials: J
authors.lastname: Bergquist
mesh_terms: D000082:Acetaminophen / Q000652:urine; D019075:Electrophoresis, Capillary / Q000379:methods*; D006801:Humans; D015999:Multivariate Analysis; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D016482:Urinalysis
chemical_list: D000082:Acetaminophen