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Better together – relative retention time plus spectral matching improves automated glycan characterization using PGC-nLC-IT-ESI-MS/MS

View ORCID ProfileKathirvel Alagesan, Falko Schirmeister, Uwe Möginger, View ORCID ProfileArun Everest-Dass, View ORCID ProfileFriedrich Altmann, View ORCID ProfilePeter H Seeberger, View ORCID ProfileMark von Itzstein, View ORCID ProfileNicolle H Packer, View ORCID ProfileDaniel Kolarich
doi: https://doi.org/10.1101/2021.08.04.451140
Kathirvel Alagesan
1Institute for Glycomics, Griffith University Gold Coast Campus, QLD, 4222, Australia
2Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany
3Institute of Chemistry and Biochemistry, Freie Universität Berlin, 14195 Berlin, Germany
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  • ORCID record for Kathirvel Alagesan
  • For correspondence: alagesan@mpusp.mpg.de d.kolarich@griffith.edu.au
Falko Schirmeister
2Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany
3Institute of Chemistry and Biochemistry, Freie Universität Berlin, 14195 Berlin, Germany
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Uwe Möginger
2Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany
3Institute of Chemistry and Biochemistry, Freie Universität Berlin, 14195 Berlin, Germany
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Arun Everest-Dass
1Institute for Glycomics, Griffith University Gold Coast Campus, QLD, 4222, Australia
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Friedrich Altmann
4Institute of Chemistry, University of Natural Resources and Applied Life Sciences, 1190 Vienna, Austria
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  • ORCID record for Friedrich Altmann
Peter H Seeberger
2Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany
3Institute of Chemistry and Biochemistry, Freie Universität Berlin, 14195 Berlin, Germany
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Mark von Itzstein
1Institute for Glycomics, Griffith University Gold Coast Campus, QLD, 4222, Australia
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  • ORCID record for Mark von Itzstein
Nicolle H Packer
1Institute for Glycomics, Griffith University Gold Coast Campus, QLD, 4222, Australia
5Department of Molecular Sciences, Macquarie University, Sydney, NSW, Australia
6ARC Centre of Excellence for Nanoscale BioPhotonics, Griffith University
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Daniel Kolarich
1Institute for Glycomics, Griffith University Gold Coast Campus, QLD, 4222, Australia
2Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany
6ARC Centre of Excellence for Nanoscale BioPhotonics, Griffith University
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  • For correspondence: alagesan@mpusp.mpg.de d.kolarich@griffith.edu.au
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ABSTRACT

Porous Graphitized Carbon nano-liquid chromatography tandem mass spectrometry (PGC-nLC-MS/MS) is a glycomics technique with the unique capacity to differentiate isobaric glycans. The lack of suitable software tools integrating chromatography and MS-information delivered by PGC-nLC-MS/MS has been limiting fast and robust glycan identification and quantitation. We report a LC-system-independent strategy called GlycoRRT that combines relative retention time (RRT) and negative ion fragment spectra analyses for isobaric structure-specific glycomics of PGC-nLC-MS/MS data. The GlycoRRT toolset is fully customizable and easily adaptable enabling semi-automated high-throughput structural assignments. The current library contains over 200 entries and their individual meta-data (MS instrumentation, experimental conditions, retention times, fragmentation profiles and glycan structural diagnostic ion features) relevant for reliable data analyses. The GlycoRRT workflow was employed to map the N- and O-glycome in blood group matched human plasma and urine as well as decipher Immunoglobulin (IgG) glycosylation features from 13 different animal species. We have also developed visualization tools to enable a consistent, reliable, and reproducible analysis of large sets of multidimensional PGC-nLC-MS/MS glycomics data. This comprehensive glycan resource provides the glycan map of human and animal species, will serve as a reference in dissecting the role of glycans in host pathogen interaction and zoonotic disease transmission.

Competing Interest Statement

The authors have declared no competing interest.

Footnotes

  • ↵# Novo Nordisk, Novo Nordisk Park 2760 Måløv, Denmark

  • CREDIT AUTHOR STATEMENT

  • Kathirvel Alagesan – Conceptualization, Methodology, Software, Validation, Investigation, Formal analysis, data curation, Writing – Original draft, Writing – Review & Editing, Visualization, Project administration

  • Falko Schirmeister – Investigation, Software, Validation, Writing – Review & Editing, Visualization

  • Uwe Möginger – Investigation, Validation, Writing – Review & Editing, Visualization

  • Arun Everest-Dass - Validation, Writing – Review & Editing, Visualization

  • Friedrich Altmann – Resources, Writing – Review & Editing

  • Peter H Seeberger – Resources, Writing – Review & Editing

  • Mark von Itzstein – Resources, Writing – Review & Editing

  • Nicolle H Packer – Resources, Writing – Review & Editing

  • Daniel Kolarich – Conceptualization, Methodology, Resources, Visualization, Writing – Review & Editing, Funding acquisition

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
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Posted August 04, 2021.
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Better together – relative retention time plus spectral matching improves automated glycan characterization using PGC-nLC-IT-ESI-MS/MS
Kathirvel Alagesan, Falko Schirmeister, Uwe Möginger, Arun Everest-Dass, Friedrich Altmann, Peter H Seeberger, Mark von Itzstein, Nicolle H Packer, Daniel Kolarich
bioRxiv 2021.08.04.451140; doi: https://doi.org/10.1101/2021.08.04.451140
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Better together – relative retention time plus spectral matching improves automated glycan characterization using PGC-nLC-IT-ESI-MS/MS
Kathirvel Alagesan, Falko Schirmeister, Uwe Möginger, Arun Everest-Dass, Friedrich Altmann, Peter H Seeberger, Mark von Itzstein, Nicolle H Packer, Daniel Kolarich
bioRxiv 2021.08.04.451140; doi: https://doi.org/10.1101/2021.08.04.451140

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