Molecular identification in metabolomics using infrared ion spectroscopy

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 spectrosc...

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Autores principales:	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
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/0ce9da7571bd420f90a1ebafcc7687f3
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spelling	oai:doaj.org-article:0ce9da7571bd420f90a1ebafcc7687f32021-12-02T16:06:33ZMolecular identification in metabolomics using infrared ion spectroscopy10.1038/s41598-017-03387-42045-2322https://doaj.org/article/0ce9da7571bd420f90a1ebafcc7687f32017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-03387-4https://doaj.org/toc/2045-2322Abstract 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.Jonathan MartensGiel BerdenRianne E. van OutersterpLeo A. J. KluijtmansUdo F. EngelkeClara D. M. van KarnebeekRon A. WeversJos OomensNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-5 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q 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 Molecular identification in metabolomics using infrared ion spectroscopy
description	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.
format	article
author	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
author_facet	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
author_sort	Jonathan Martens
title	Molecular identification in metabolomics using infrared ion spectroscopy
title_short	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_sort	molecular identification in metabolomics using infrared ion spectroscopy
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/0ce9da7571bd420f90a1ebafcc7687f3
work_keys_str_mv	AT jonathanmartens molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT gielberden molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT rianneevanoutersterp molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT leoajkluijtmans molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT udofengelke molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT claradmvankarnebeek molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT ronawevers molecularidentificationinmetabolomicsusinginfraredionspectroscopy AT josoomens molecularidentificationinmetabolomicsusinginfraredionspectroscopy
_version_	1718384946247106560

Molecular identification in metabolomics using infrared ion spectroscopy

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