Molecular identification in metabolomics using infrared ion spectroscopy

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, prov...

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Autores principales: Martens, Jonathan, Berden, Giel, van Outersterp, Rianne E., Kluijtmans, Leo A. J., Engelke, Udo F., van Karnebeek, Clara D. M., Wevers, Ron A., Oomens, Jos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5469762/
https://www.ncbi.nlm.nih.gov/pubmed/28611404
http://dx.doi.org/10.1038/s41598-017-03387-4
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author Martens, Jonathan
Berden, Giel
van Outersterp, Rianne E.
Kluijtmans, Leo A. J.
Engelke, Udo F.
van Karnebeek, Clara D. M.
Wevers, Ron A.
Oomens, Jos
author_facet Martens, Jonathan
Berden, Giel
van Outersterp, Rianne E.
Kluijtmans, Leo A. J.
Engelke, Udo F.
van Karnebeek, Clara D. M.
Wevers, Ron A.
Oomens, Jos
author_sort Martens, Jonathan
collection PubMed
description 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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spelling pubmed-54697622017-06-19 Molecular identification in metabolomics using infrared ion spectroscopy Martens, Jonathan Berden, Giel van Outersterp, Rianne E. Kluijtmans, Leo A. J. Engelke, Udo F. van Karnebeek, Clara D. M. Wevers, Ron A. Oomens, Jos Sci Rep Article 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. Nature Publishing Group UK 2017-06-13 /pmc/articles/PMC5469762/ /pubmed/28611404 http://dx.doi.org/10.1038/s41598-017-03387-4 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Martens, Jonathan
Berden, Giel
van Outersterp, Rianne E.
Kluijtmans, Leo A. J.
Engelke, Udo F.
van Karnebeek, Clara D. M.
Wevers, Ron A.
Oomens, Jos
Molecular identification in metabolomics using infrared ion spectroscopy
title Molecular identification in metabolomics using infrared ion spectroscopy
title_full Molecular identification in metabolomics using infrared ion spectroscopy
title_fullStr Molecular identification in metabolomics using infrared ion spectroscopy
title_full_unstemmed Molecular identification in metabolomics using infrared ion spectroscopy
title_short Molecular identification in metabolomics using infrared ion spectroscopy
title_sort molecular identification in metabolomics using infrared ion spectroscopy
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5469762/
https://www.ncbi.nlm.nih.gov/pubmed/28611404
http://dx.doi.org/10.1038/s41598-017-03387-4
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