Cyclic IMS Instrumentation Enables Innovative Lipidomics Research in Australia

Importance of the Topic

Structural analysis of lipids and other biomolecules is critical for understanding biological function and material properties. Ion mobility–mass spectrometry combined with ozone-induced dissociation reveals detailed structural isomerism, such as double-bond location in lipids, supporting biomedical research, environmental studies, and materials science. Establishing next-generation IMS infrastructure enables high-throughput, high-resolution analyses with broad interdisciplinary applications.

Aims and Study Overview

This case study examines how the Central Analytical Research Facility at Queensland University of Technology implemented the Waters SELECT SERIES Cyclic IMS instrument. The goals were to enhance structural lipidomics via OzID, expand IMS capabilities for structural analysis in inorganic chemistry and polymer science, and provide researchers with accessible, state-of-the-art instrumentation and expertise.

Methodology and Instrumentation

CARF integrated a SELECT SERIES Cyclic IMS with:

• Modified SYNAPT G2-Si for ozone-induced dissociation (OzID)
• Ultra-performance liquid chromatography for isomer separation
• DESI XS source for imaging mass spectrometry
• Combination of CID, ECD, and SID with cyclic ion mobility
• MassLynx software for instrument control and method setup

Installation was managed remotely during COVID-19 lockdowns, with support from Waters teams in the UK, Australia, and Japan. A seed instrument enabled initial performance tests before grant-funded acquisition.

Main Results and Discussion

• High separation power resolved lipid isomers differing by double-bond position.
• Mass resolution improved to >70 000 FWHM versus ~20 000 on the previous system.
• CCS-based identification of coordination cage isomers complemented NMR data.
• DESI XS imaging streamlined isomer mapping in tissue sections.

Remote evaluations confirmed the instrument’s performance and supported successful ARC funding for full deployment.

Benefits and Practical Applications

• Enhanced structural elucidation of lipids, enabling discovery of functional biomarkers.
• Expanded capabilities in supramolecular coordination chemistry for resolving diastereomers.
• Improved user training and data reproducibility through intuitive software.
• Reduced optimization time for imaging applications with a turnkey DESI XS source.

Future Trends and Potential Applications

• Customization of IMS instruments for photodissociation workflows.
• Wider adoption of OzID in global lipidomics and metabolomics studies.
• Integration of next-generation IMS-MS into materials science and polymer research.
• Expanded collaborative projects exploring unconventional analytical questions.

Conclusion

The implementation of the Waters SELECT SERIES Cyclic IMS at QUT’s CARF has transformed structural analysis workflows, enabling detailed isomer resolution in lipidomics, inorganic chemistry, and polymer science. This investment underscores the importance of collaborative instrument development and institutional support for cutting-edge analytical research.

Reference

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2. Pham HT et al. Ozone-induced dissociation of conjugated lipids reveals reaction rate enhancements. J. Am. Soc. Mass Spectrom. 2013;24(2):286–296.
3. Menzel JP et al. Ozone-enabled fatty acid discovery reveals lipidome diversity. Nat. Commun. 2023;14:3940.
4. Pfrunder MC et al. Diastereomer Resolution of M4 L6 Coordination Cages by Ultra-High-Resolution Ion-Mobility MS. Angew. Chem. Int. Ed. 2023.
5. Poad B et al. Ultra-high resolution ion mobility reveals ligand-induced isomeric diversity. ChemRxiv 2023.
6. Do PT and Poad BLJ. Programming Photodegradability into Vinylic Polymers. Angew. Chem. Int. Ed. 2023;62:e202213511.
7. Waters Corporation. SELECT SERIES Cyclic IMS Specification Document; 720006590EN.