Molecular identification in metabolomics using infrared ion spectroscopy

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<jats:title>Abstract</jats:title><jats:p>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.</jats:p>

Journal

  • Scientific Reports

    Scientific Reports 7 (1), 2017-06-13

    Springer Science and Business Media LLC

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