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Title: Molecular identification in metabolomics using infrared ion spectroscopy
Author(s): Martens, J.K.; Berden, G. ; Outersterp, R.E. van ; Kluijtmans, L.A.J. ; Engelke, U.F.H. ; Karnebeek, C.D; Wevers, R.A. ; Oomens, J.
Publication year: 2017
Source: Scientific Reports, vol. 7, iss. 1, (2017), article 3363
ISSN: 2045-2322
DOI: https://doi.org/10.1038/s41598-017-03387-4
Publication type: Article / Letter to editor

Please use this identifier to cite or link to this item : http://hdl.handle.net/2066/174068   http://hdl.handle.net/2066/174068

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Subject: Molecular Structure and Dynamics
Radboudumc 0: Other Research RIMLS: Radboud Institute for Molecular Life Sciences
Radboudumc 3: Disorders of movement DCMN: Donders Center for Medical Neuroscience
Organization: Molecular Structure and Dynamics
Amalia Childrens Hospital
Laboratory Medicine
Paediatrics
Journal title:
Scientific Reports
Volume: vol. 7
Issue: iss. 1
Article number: 3363
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.

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