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Automated Deconvolution of Overlapped Ion Mobility Profiles

  • Research Article
  • Published:
Journal of The American Society for Mass Spectrometry

Abstract

Presence of unresolved ion mobility (IM) profiles limits the efficient utilization of IM mass spectrometry (IM-MS) systems for isomer differentiation. Here, we introduce an automated ion mobility deconvolution (AIMD) computer software for streamlined deconvolution of overlapped IM-MS profiles. AIMD is based on a previously reported post-IM/collision-induced dissociation (CID) deconvolution approach [J. Am. Soc. Mass Spectrom. 23, 1873 (2012)] and, unlike the previously reported manual approach, it does not require resampling of post-IM/CID data. A novel data preprocessing approach is utilized to improve the accuracy and efficiency of the deconvolution process. Results from AIMD analysis of overlapped IM profiles of data from (1) Waters Synapt G1 for a binary mixture of isomeric peptides (amino acid sequences: GRGDS and SDGRG) and (2) Waters Synapt G2-S for a binary mixture of isomeric trisaccharides (raffinose and isomaltotriose) are presented.

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Acknowledgments

The authors greatly appreciate financial support provided by Baylor University. They also thank Dr. Christopher Becker and Dr. C. Kevin Chambliss of Baylor University for providing the sugar samples used in this study.

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Authors and Affiliations

  1. Department of Chemistry and Biochemistry, University of Texas at Tyler, Tyler, TX, 75799, USA

    Matthew Brantley & Rachel Mason

  2. Department of Chemistry and Biochemistry, Baylor University, Waco, TX, 76706, USA

    Behrooz Zekavat & Touradj Solouki

  3. Institute of Biomedical Studies, Baylor University, Waco, TX, 76706, USA

    Brett Harper

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  1. Matthew Brantley
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  2. Behrooz Zekavat
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  3. Brett Harper
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  4. Rachel Mason
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  5. Touradj Solouki
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Correspondence to Touradj Solouki.

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Brantley, M., Zekavat, B., Harper, B. et al. Automated Deconvolution of Overlapped Ion Mobility Profiles. J. Am. Soc. Mass Spectrom. 25, 1810–1819 (2014). https://doi.org/10.1007/s13361-014-0963-3

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  • DOI: https://doi.org/10.1007/s13361-014-0963-3

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