Article (Scientific journals)
Isotopologue ratio normalization for non-targeted metabolomics
Weindl, Daniel; Wegner, André; Jäger, Christian et al.
2015In Journal of Chromatography. A, 1389, p. 112–119
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Keywords :
IDMS; NTFD; metabolomics
Abstract :
[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.
Research center :
Luxembourg Centre for Systems Biomedicine (LCSB): Metabolomics (Hiller Group)
Disciplines :
Biochemistry, biophysics & molecular biology
Author, co-author :
Weindl, Daniel ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Wegner, André ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Jäger, Christian  ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Hiller, Karsten ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
External co-authors :
no
Language :
English
Title :
Isotopologue ratio normalization for non-targeted metabolomics
Publication date :
10 April 2015
Journal title :
Journal of Chromatography. A
ISSN :
1873-3778
Publisher :
Elsevier Science, Amsterdam, Netherlands
Volume :
1389
Pages :
112–119
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
FNR - Fonds National de la Recherche [LU]
Available on ORBilu :
since 04 April 2015

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