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