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.

Nyckelord

metabonomics

electrospray ionisation mass spectrometry

capillary electrophoresis

urine

biomarkers

metabolite

paracetamol

multivariate data analysis

fuzzy correlation

NATURAL SCIENCES

NATURVETENSKAP

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)