Molecular identification in metabolomics using infrared ion spectroscopy.
Jonathan K MartensGiel BerdenRianne E van OutersterpLeo A J KluijtmansUdo F EngelkeClara D M van KarnebeekRon A WeversJos OomensPublished in: Scientific reports (2017)
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.
Keyphrases
- high resolution
- liquid chromatography
- tandem mass spectrometry
- mass spectrometry
- ultra high performance liquid chromatography
- small molecule
- single molecule
- high performance liquid chromatography
- high resolution mass spectrometry
- simultaneous determination
- gas chromatography
- bioinformatics analysis
- public health
- solid phase extraction
- capillary electrophoresis
- ionic liquid
- high speed
- climate change
- protein protein
- human health