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: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

^*Corresponding author for this work

Radboud University Nijmegen
University of Amsterdam

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

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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 - Martens, Jonathan

AU - Berden, Giel

AU - Van Outersterp, Rianne E.

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AU - Engelke, Udo F.

AU - Van Karnebeek, Clara D.M.

AU - Wevers, Ron A.

AU - Oomens, Jos

PY - 2017/12/1

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N2 - 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.

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

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