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
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Acceso en línea:https://doaj.org/article/0ce9da7571bd420f90a1ebafcc7687f3
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Sumario: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.