Isotopologue ratio normalization for non-targeted metabolomics

Journal of Chromatography. a
Daniel WeindlKarsten Hiller

Abstract

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 ap...Continue Reading

References

Aug 13, 2008·Analytical Biochemistry·Patrick KieferJulia A Vorholt
Jul 9, 2010·Analytical Chemistry·Karsten HillerGregory Stephanopoulos
Nov 6, 2010·Current Opinion in Biotechnology·Marshall Louis Reaves, Joshua D Rabinowitz
Mar 15, 2011·Current Drug Metabolism·Ru Wei
Nov 22, 2011·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Oliver VielhauerMatthias Reuss
Feb 7, 2012·Proceedings of the National Academy of Sciences of the United States of America·Robert DallmannSteven A Brown
Apr 24, 2013·Proceedings of the National Academy of Sciences of the United States of America·Alessandro MichelucciKarsten Hiller
Jul 25, 2014·Metabolomics : Official Journal of the Metabolomic Society·Christoph BueschlRainer Schuhmacher

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Citations

Jan 15, 2016·Journal of Chromatography. a·Yiman Wu, Liang Li
Apr 26, 2016·Cancer & Metabolism·Daniel WeindlKarsten Hiller
Sep 21, 2016·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Rahul Vijay Kapoore, Seetharaman Vaidyanathan
Oct 9, 2016·Biomedical Chromatography : BMC·Hajime MizunoToshimasa Toyo'oka
Jan 24, 2017·Current Opinion in Chemical Biology·Mark R ViantWarwick B Dunn
Apr 12, 2020·European Journal of Mass Spectrometry·Biswapriya B Misra
May 4, 2018·Journal of Inherited Metabolic Disease·Emma GrahamSara Mostafavi
Nov 26, 2020·Mass Spectrometry Reviews·Wei Han, Liang Li
Jun 18, 2017·Analytica Chimica Acta·Xiaoli WeiXiang Zhang

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