This proposal requests funds to purchase a Bruker 12 T solariX? XR FTMS System, which will provide scientists at the University of Georgia with state-of-the-art mass spectrometry capabilities to identify and quantify metabolites and natural products. The Bruker Fourier transform ion cyclotron resonance spectrometer (FTICR-MS, also known as FTMS) provides resolving power in excess of 10,000,000 with mass accuracy of 100 ppb or lower, far better than any other type of commercial mass spectrometer. Ionization by electrospray ionization, matrix assisted laser desorption/ionization, and atmospheric pressure chemical ionization sources are requested to provide flexibility for the sensitive detection of the variety of metabolomic and glycan samples that will be studied. This instrument will be capable of a number of ion activation methods, including collision induced dissociation, electron capture dissociation, electron detachment dissociation, electron induced dissociation, electron transfer dissociation, and negative electron transfer dissociation. These will allow a number of tandem mass spectrometry measurements for the structural characterization of the broad range of molecules of interest to the user group, in both positive and negative ionization mode. The instrument will support the research programs of twelve major users and three minor users. The research of the users falls into four themes, including glycan analysis, biomarker identification, parasite biology, and dissolved organic matter analysis. The high resolution and accurate mass capabilities of this instrument will provide elemental compositions for compounds that are present as complex mixtures, while tandem mass spectrometry will aid structure analysis. For biomarker studies, and parasite biology projects, an approach that integrates NMR analysis will be used to provide much deeper coverage, using accurate molecular formulas from FTMS that can be associated with 1D and 2D 1H and 13C NMR resonances for efficient metabolite identification. The instrument will be housed in the laboratory of PI Jon Amster, an expert in the field of FTMS, with over 30 years of experience with this technology. Operation, maintenance, and user training will be managed by Dr. Franklin Leach, an expert in FTMS instrumentation design and construction, as well as in applications of FTMS. Scheduling and billing for this instrument will be managed by the Proteomics and Mass Spectrometry Facility, a university core facility.
Metabolomicshasasitsultimategoaltheidentificationandquantificationofall metabolitesinalivingsystem.Thisiscurrentlyimpossibleduetothelarge concentrationrangeandchemicalvariabilityofmetabolites.Thehigh-resolutionmass spectrometryinstrumentrequestedinthisproposalwillimproveourabilitytoobtain molecularformulasincomplexmixtures,andbylinkingthistechnologytostate-of-the- artNMRwewillbeabletogreatlyexpandthenumberofmetabolitesthatwecan identifyandquantify.Thesedatawilladvanceanumberofbiomedically-drivenresearch projectsattheUniversityofGeorgia