A GC/FTMS for Ultra-High Accuracy Metabolite Identification

University Of Wisconsin-Madison, Madison WI

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Abstract

DESCRIPTION (provided by applicant): We propose to construct and develop an enabling, cutting-edge gas-chromatography/mass spectrometer instrument (GC/MS) based on the recently introduced Orbitrap mass analyzer. By combining ultra-high resolving power and mass accuracy measurement with tandem MS capabilities, the proposed system will bridge a fundamental technology gap in small molecule analysis. This instrument will greatly facilitate identification of unknown species when standard GC-electron impact (EI) fragmentation and mass spectral matching strategies fail; surpassing current high end GC-MS systems such as GC-time-of-flight (TOF) - by offering greater mass accuracy, dynamic range, and added MS/MS capabilities. We provide preliminary data utilizing a standard linear ion trap Orbitrap hybrid demonstrating practical feasibility and utility. That system, however, is not optimal for routine use and has not yet realized the potential for MS/MS coupled to GC. The proposed GC-Orbitrap system will have a transformative impact on multiple fields, especially metabolomics (the set of small molecules present in a biological system, i.e., < 1000 Da), but also environmental toxin identification (e.g., pesticides, persistent organic pollutants, disinfection by-products, etc.), doping, petroleum and biofuel analysis, among many others.