2. KONFERENCE ČESKÉ SPOLEČNOSTI PRO HMOTNOSTNÍ SPEKTROMETRII - Sborník abstraktů

Significance of the Topic

• Mass spectrometry (MS) remains one of the most powerful analytical tools across chemistry, biology, environmental sciences and industrial quality control.
• The 2nd Conference of the Czech Society for Mass Spectrometry (Hradec Králové, 17–19 October 2012) brought together academic and industrial researchers to share advances in instrumentation, methods and applications.

Objectives and Overview

• Present state-of-the-art MS techniques (ESI, MALDI, GC-MS, LC-MS, SIFT-MS, IMS-MS) and novel hyphenations (LC-MS/MS, GC-MS/MS, GC-QTOF, ICP-MS).
• Showcase applications in ion chemistry, bioanalysis (proteomics, glycomics, metabolomics), environmental monitoring, food and pharmaceutical analysis, clinical diagnostics, and fundamental studies (trapping, ion/molecule reactions).

Methodology and Instrumentation

• Instrument platforms ranged from triple-quadrupoles and ion traps (QqQ, QTRAP, Orbitrap, TOF, FTICR) to ion mobility and cryogenic ion traps.
• Ionization methods included ESI, APCI, APPI, MALDI, SIFT and new ambient techniques (DESI, DAPPI, SALDI).
• Sample introduction: direct infusion, UHPLC, nanoLC, GC, SPE, microgradient devices, solid-phase extraction, droplet microfluidics.
• Data acquisition: high-resolution accurate mass, MSn, H/D exchange, cross-linking, IRMPD, IMS for collision cross section measurements.

Main Results and Discussion

• Demonstration of ultra-sensitive QqQ performance up to sub-pg levels; improved dynamic range with IonDrive™ enhancements.
• Integration of ion mobility and TOF-MS enabled separation of isomeric lipids and polymers by drift time–m/z “fingerprints”.
• H/D exchange and chemical cross-linking MS yielded structural insights into protein–ligand and protein–protein interactions, including membrane protein topology.
• New microgradient SPE–MALDI protocols for site-specific glycopeptide and phosphopeptide analysis; ambient SALDI MS for nanoparticle-based quantification.
• SIFT-MS real-time detection of volatile biomarkers (pentane, sulfur compounds) in exhaled breath for inflammatory and cystic fibrosis monitoring.
• Novel LC–MS/MS methods for antibiotics, mycotoxins, off-flavour volatiles, drug metabolites, and vitamin D determinations in environmental, food and clinical samples.
• Advances in droplet microfluidics coupled to TOF-MS for single-droplet analysis demonstrated rapid, low-volume integration.

Benefits and Practical Applications

• Improved throughput, sensitivity and specificity in QA/QC, environmental screening, forensic and clinical labs.
• Non-invasive biomarker analysis for early disease diagnosis and treatment monitoring (IBD, CF, metabolic disorders).
• Enhanced structural proteomics tools guiding drug discovery and mechanistic biochemistry.
• Better environmental risk assessment of pollutants (PCB degradation products, sulfonolipids, pesticides).

Future Trends and Potential Uses

• Wider adoption of ion mobility–MS and high-resolution MS for “omics” workflows and complex mixture deconvolution.
• Further miniaturization via chip-based LC, microfluidics and ambient ion sources for point-of-care and field analysis.
• Continued integration of orthogonal activation modes (HCD, IRMPD, ETD) to expand MSn structural capabilities.
• Development of AI-driven data analysis and library-free identification workflows for non-target screening.

Conclusion

• The conference highlighted rapid progress in MS instrumentation and methodologies that extend chemical insight from atomistic ion chemistry to real-world complex samples.
• Collaboration between academia, instrument vendors and industry is key to translating these advances into practical analytical solutions.
• Emerging technologies promise to further enhance sensitivity, selectivity and speed for next-generation mass spectrometry applications.

References

• Roithová J.: Chem. Soc. Rev. 41, 547–559 (2012).
• Španěl P., Smith D.: Mass Spectrom. Rev. 30, 236–267 (2011).
• Lisa M., Holčapek M.: J. Chromatogr. A 1218, 5146–5155 (2011).