Comparison of High-Resolution Fourier Transform Mass Spectrometry Platforms for Putative Metabolite Annotation
Danning Huang, Marcos Bouza, David A. Gaul, Franklin E. Leach, I. Jonathan Amster, Frank C. Schroeder, Arthur S. Edison, Facundo M. Fernández
Abstract
RIA measurements further improved annotation certainty by reducing the number of candidates. Overall, our study provides a systematic evaluation for two leading Fourier transform (FT)-based MS platforms utilized in metabolite annotation and provides the basis for applying these, individually or in combination, to metabolomics studies of biological systems.
Topics & Concepts
ChemistryMetaboliteMass spectrometryFourier transformResolution (logic)ChromatographyFourier transform spectroscopyAnnotationAnalytical Chemistry (journal)BiochemistryOrganic chemistryArtificial intelligenceInfrared spectroscopyMathematical analysisComputer scienceMathematicsMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyMass Spectrometry Techniques and Applications