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

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

Volume: 1 Issue: 3

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

Affiliation:

Keywords: Fingerprinting, metabolomics, NMR, profiling, quantification, statistical data analysis.

Abstract: 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.

Cite this article as:

Zacharias U. Helena, Hochrein Jochen, Klein S. Matthias, Samol Claudia, Oefner J. Peter and Gronwald Wolfram, Current Experimental, Bioinformatic and Statistical Methods used in NMR Based Metabolomics, Current Metabolomics 2013; 1 (3) . https://dx.doi.org/10.2174/2213235X113019990001