Reference : Isotopologue ratio normalization for non-targeted metabolomics
Scientific journals : Article
Life sciences : Biochemistry, biophysics & molecular biology
http://hdl.handle.net/10993/20740
Isotopologue ratio normalization for non-targeted metabolomics
English
Weindl, Daniel mailto [University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > >]
Wegner, André mailto [University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > >]
Jäger, Christian mailto [University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > >]
Hiller, Karsten mailto [University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > >]
10-Apr-2015
Journal of Chromatography. A
Elsevier Science
1389
112–119
Yes (verified by ORBilu)
International
0021-9673
1873-3778
Amsterdam
The Netherlands
[en] IDMS ; NTFD ; metabolomics
[en] Robust quantification of analytes is a prerequisite for meaningful metabolomics experiments. In non-targeted metabolomics it is still hard to compare measurements across multiple batches or instruments. For targeted analyses isotope dilution mass spectrometry is used to provide a robust normalization reference.

Here, we present an approach that allows for the automated semi-quantification of metabolites relative to a fully stable isotope-labeled metabolite extract. Unlike many previous approaches, we include both identified and unidentified compounds in the data analysis. The internal standards are detected in an automated manner using the non-targeted tracer fate detection algorithm. The ratios of the light and heavy form of these compounds serve as a robust measure to compare metabolite levels across different mass spectrometric platforms. As opposed to other methods which require high resolution mass spectrometers, our methodology works with low resolution mass spectrometers as commonly used in gas chromatography electron impact mass spectrometry (GC–EI-MS)-based metabolomics.

We demonstrate the validity of our method by analyzing compound levels in different samples and show that it outperforms conventional normalization approaches in terms of intra- and inter-instrument reproducibility. We show that a labeled yeast metabolite extract can also serve as a reference for mammalian metabolite extracts where complete stable isotope labeling is hard to achieve.
Luxembourg Centre for Systems Biomedicine (LCSB): Metabolomics (Hiller Group)
Fonds National de la Recherche - FnR
Researchers ; Professionals
http://hdl.handle.net/10993/20740
10.1016/j.chroma.2015.02.025
http://www.sciencedirect.com/science/article/pii/S0021967315002691

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