Designed for MS - Thermo Scientific Chromeleon 7.2 Chromatography Data System

Significance of Integrating Mass Spectrometry into Chromeleon CDS

Integrating mass spectrometry (MS) control and data processing into a chromatography data system (CDS) streamlines workflows by unifying separation and detection methods under a single software environment. This consolidation reduces method setup complexity, improves data consistency, and accelerates quantitative analysis across gas, liquid, and ion chromatography techniques.

Study Aims and Overview

Chromeleon 7.2 CDS is designed to support MS instrument control and data processing for Thermo Scientific’s family of mass spectrometers within an enterprise client/server architecture. It aims to deliver seamless integration of GC-MS, LC-MS, and IC-MS workflows, offering tuning, calibration, acquisition, quantitation, and reporting capabilities in one platform.

Methodology and Instrumentation

The software provides MS-specific data views, processing tools, and reporting objects that enable:

• Interactive Total Ion Chromatogram (TIC) and mass spectra visualization
• Component-centric tables showing quantitation and confirmation ions
• Graphical extraction of extracted ion chromatograms (XICs) via mass selection or drag-range
• Automated unlimited XIC extraction based on injection results
• Preview and creation of filter channels through the AutoFilters pane
• Library-based spectral screening using NIST and integration with AMDIS for deconvolution
• Automatic naming and concentration estimation for tentatively identified peaks
• Instrument and processing method synchronization including component tables, retention windows, and scan events
• AutoSIM and AutoSRM modules for optimizing SIM and SRM acquisition filters
• Comprehensive reporting tables accommodating multiple traces and large datasets

Used Instrumentation

The system supports control of:

• Thermo Scientific ISQ EC Single Quadrupole MS
• Thermo Scientific TSQ 8000 Series GC-MS
• Thermo Scientific TSQ Triple Quadrupole LC-MS
• Thermo Scientific Exactive Series Orbitrap LC-MS

Main Features and Discussion

Chromeleon 7.2 enhances user productivity by combining chromatography and MS quantitation into one interface. Key advancements include dynamic XIC channel management, intelligent run control for automated filter extraction, and streamlined method import/export for cross-platform consistency. Reporting enhancements allow users to select channels with highest response automatically, simplifying data review.

Benefits and Practical Applications

By centralizing chromatography and MS workflows, laboratories benefit from reduced software complexity, faster method development, and consistent data processing. The platform is well suited for routine quantitation in pharmaceutical QA/QC, environmental monitoring, food safety testing, and research laboratories requiring high throughput and reliable identification.

Future Trends and Possibilities

Emerging directions include integration of AI-driven peak detection and deconvolution, cloud-based data management for collaborative access, expansion of high-resolution MS library databases, and real-time adaptive acquisition algorithms. These trends will further automate workflows, improve analytical confidence, and support complex sample analyses.

Conclusion

Chromeleon 7.2 CDS represents a significant step toward unified chromatographic and MS data processing. Its comprehensive feature set and enterprise architecture enable laboratories to streamline operations, maintain data integrity, and accelerate decision-making in diverse analytical contexts.

References

No references were provided in the original document.