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Current Metabolomics


ISSN (Print): 2213-235X
ISSN (Online): 2213-2368

Research Article

Current Experimental, Bioinformatic and Statistical Methods used in NMR Based Metabolomics

Author(s): Helena U. Zacharias, Jochen Hochrein, Matthias S. Klein, Claudia Samol, Peter J. Oefner and Wolfram Gronwald

Volume 1, Issue 3, 2013

Page: [253 - 268] Pages: 16

DOI: 10.2174/2213235X113019990001


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.

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