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Bioinformatics and Drug Discovery pp 161–178Cite as

Isomeric and Conformational Analysis of Small Drug and Drug-Like Molecules by Ion Mobility-Mass Spectrometry (IM-MS)

Part of the Methods in Molecular Biology book series (MIMB,volume 1939)

Abstract

This chapter provides a broad overview of ion mobility-mass spectrometry (IM-MS) and its applications in separation science, with a focus on pharmaceutical applications. A general overview of fundamental ion mobility (IM) theory is provided with descriptions of several contemporary instrument platforms which are available commercially (i.e., drift tube and traveling wave IM). Recent applications of IM-MS toward the evaluation of structural isomers are highlighted and placed in the context of both a separation and characterization perspective. We conclude this chapter with a guided reference protocol for obtaining routine IM-MS spectra on a commercially available uniform-field IM-MS.

Key words

  • Isomers
  • Drugs
  • Conformation
  • Ion mobility spectrometry
  • Ion mobility-mass spectrometry
  • IM-MS

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Acknowledgments

This work was supported in part using the resources of the Center for Innovative Technology at Vanderbilt University. Financial support for aspects of this research was provided by The National Institutes of Health (NIH Grant R01GM092218) and under Assistance Agreement No. 83573601 awarded by the US Environmental Protection Agency (EPA). This work has not been formally reviewed by the EPA, and the EPA does not endorse any products or commercial services mentioned in this publication. Furthermore, the content is solely the responsibility of the authors and should not be interpreted as representing the official views and policies, either expressed or implied, of the funding agencies and organizations.

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Authors and Affiliations

  1. Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt-Ingram Cancer Center, Vanderbilt University, Nashville, TN, USA

    Shawn T. Phillips, James N. Dodds, Jody C. May & John A. McLean

Authors
  1. Shawn T. Phillips
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  2. James N. Dodds
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  3. Jody C. May
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  4. John A. McLean
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Corresponding author

Correspondence to John A. McLean .

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Editors and Affiliations

  1. Department of Pathology, University of New Mexico, Albuquerque, NM, USA

    Dr. Richard S. Larson

  2. Department of Internal Medicine, University of New Mexico, Albuquerque, NM, USA

    Dr. Tudor I. Oprea

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Phillips, S.T., Dodds, J.N., May, J.C., McLean, J.A. (2019). Isomeric and Conformational Analysis of Small Drug and Drug-Like Molecules by Ion Mobility-Mass Spectrometry (IM-MS). In: Larson, R., Oprea, T. (eds) Bioinformatics and Drug Discovery. Methods in Molecular Biology, vol 1939. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-9089-4_9

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  • DOI: https://doi.org/10.1007/978-1-4939-9089-4_9

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