The aim of this contribution is to familiarize the reader with experimental, bioinformatic and statistical strategies
currently used in the field of solution NMR based metabolomics. Special emphasis is given to methods that have
worked well in our hands. Methods covered include sample preparation, acquisition and processing of NMR spectra, and
identification and quantification of metabolites. Further consideration is given to data normalization and scaling, unsupervised
and supervised statistical data analysis, the biomedical interpretation of results, and the centralized community-wide
storage and retrieval of NMR data.
Keywords: Fingerprinting, metabolomics, NMR, profiling, quantification, statistical data analysis.
Rights & PermissionsPrintExport