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Automated Deconvolution of Overlapped Ion Mobility Profiles

  • Matthew Brantley
  • Behrooz Zekavat
  • Brett Harper
  • Rachel Mason
  • Touradj Solouki
Research Article

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.

Graphical Abstract

Key words

Automated Deconvolution Ion mobility (IM) Isomer Mass spectrometry (MS) MATLAB 

Notes

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.

Supplementary material

13361_2014_963_MOESM1_ESM.docx (52 kb)
ESM 1 (DOCX 51 kb)

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Copyright information

© American Society for Mass Spectrometry 2014

Authors and Affiliations

  • Matthew Brantley
    • 1
  • Behrooz Zekavat
    • 2
  • Brett Harper
    • 3
  • Rachel Mason
    • 1
  • Touradj Solouki
    • 2
  1. 1.Department of Chemistry and BiochemistryUniversity of Texas at TylerTylerUSA
  2. 2.Department of Chemistry and BiochemistryBaylor UniversityWacoUSA
  3. 3.Institute of Biomedical StudiesBaylor UniversityWacoUSA

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