Molecular identification in metabolomics using infrared ion spectroscopy

Jonathan Martens; Giel Berden; Rianne E. Van Outersterp; Leo A.J. Kluijtmans; Udo F. Engelke; Clara D.M. Van Karnebeek; Ron A. Wevers; Jos Oomens

doi:https://doi.org/10.1038/s41598-017-03387-4

Molecular identification in metabolomics using infrared ion spectroscopy

Jonathan Martens, Giel Berden, Rianne E. Van Outersterp, Leo A.J. Kluijtmans, Udo F. Engelke, Clara D.M. Van Karnebeek, Ron A. Wevers, Jos Oomens

Research output: Contribution to journal › Article › Academic › peer-review

50 Citations (Scopus)

Abstract

Small molecule identification is a continually expanding field of research and represents the core challenge in various areas of (bio)analytical science, including metabolomics. Here, we unequivocally differentiate enantiomeric N-Acetylhexosamines in body fluids using infrared ion spectroscopy, providing orthogonal identification of molecular structure unavailable by standard liquid chromatography/high-resolution tandem mass spectrometry. These results illustrate the potential of infrared ion spectroscopy for the identification of small molecules from complex mixtures.

Original language	English
Article number	3363
Journal	Scientific reports
Volume	7
Issue number	1
DOIs	https://doi.org/10.1038/s41598-017-03387-4
Publication status	Published - 1 Dec 2017

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AU - Engelke, Udo F.

AU - Van Karnebeek, Clara D.M.

AU - Wevers, Ron A.

AU - Oomens, Jos

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AB - Small molecule identification is a continually expanding field of research and represents the core challenge in various areas of (bio)analytical science, including metabolomics. Here, we unequivocally differentiate enantiomeric N-Acetylhexosamines in body fluids using infrared ion spectroscopy, providing orthogonal identification of molecular structure unavailable by standard liquid chromatography/high-resolution tandem mass spectrometry. These results illustrate the potential of infrared ion spectroscopy for the identification of small molecules from complex mixtures.

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Molecular identification in metabolomics using infrared ion spectroscopy

Abstract

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