Instrumentation and methods for the characterization of ion structure and internal energy in the gas phase Public Deposited

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  • March 21, 2019
  • Remes, Philip M.
    • Affiliation: College of Arts and Sciences, Department of Chemistry
  • The traditional domains of mass spectrometry (MS) include simple analyte identification by measurement of mass-to-charge value and structural connectivity determinations obtained by tandem mass spectrometry (MS/MS). Tandem MS spectra also contain information about ion three dimensional (3D) conformation, based on the observation of complex reaction pathways only available to certain ion structures. These pathways can involve rearrangement reactions that would never be considered possible in the solution phase. Elucidating 3D structure from MS/MS is therefore very difficult, and information from rearrangement reactions is not currently used by any automatic MS spectral interpretation programs. One of the goals of this dissertation is to build MS based instrumentation that will probe ion 3D structure, so that the dissociation processes in MS/MS can be better understood. Two instruments will be described; a quadrupole ion trap for low temperature IR spectroscopy studies for determination of smaller ion structures, and a high field asymmetric waveform ion mobility spectrometer (FAIMS) for selecting larger ion conformers and subsequently probing these ions via a host of MS/MS methods. Despite the title of the dissertation, the reader will not find any ion structures have been elucidated yet. This is the task of the next generation of Glish lab members. Rather, most of the experimental chapters herein are of a more preliminary nature and are focused on the study of ion internal energy, which is a significant factor in the study of 3D structure, as well as an important area of study for MS in and of itself.
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  • Glish, Gary
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