Journal
CURRENT METABOLOMICS
Volume 1, Issue 3, Pages 253-268Publisher
BENTHAM SCIENCE PUBL
DOI: 10.2174/2213235X113019990001
Keywords
Fingerprinting; metabolomics; NMR; profiling; quantification; statistical data analysis
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Funding
- Bavarian genomic Network (BayGene)
- German Federal Ministry of Education and Research (BMBF) [01 ER 0821]
- German Research Foundation [KFO 262]
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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.
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