ChromaTOF-Klassifizierungswerkzeuge

This webinar provides a practical demonstration of the classification tools within LECO’s ChromaTOF software, showing how users can extract meaningful chemical insights from complex GCxGC datasets. The presentation focuses on how analysts can leverage the structured nature of chromatograms—where compound classes often form recognizable bands—to group related compounds and quantify them efficiently. By working directly within contour plot and 3D views, users can visually interact with data, define regions of interest, and associate those regions with specific chemical classes

A core concept of the workflow is the creation of classification regions within the chromatogram. Users can define these regions using flexible tools—such as curved, polygonal, or peak-based selections—and assign them to compound classes (e.g., aromatics, alkanes, or specific analytes like naphthalenes). These classifications allow users to isolate data by chemical type, either broadly (class-level groupings) or narrowly (individual compounds). The software also integrates peak table data to automate region creation and supports easy adjustment and alignment of regions across datasets, making it adaptable to different detectors and experimental setups.

Once classifications are defined, ChromaTOF enables quantitative analysis and data summarization by calculating metrics such as total ion current (TIC) or selected mass signals within each region. The resulting classification tables provide clear summaries of chemical class distributions, supporting both relative (percentage) and absolute (area-based) comparisons. These templates can be saved and applied to additional samples, enabling consistent, high-throughput analysis across datasets. Overall, the webinar highlights how ChromaTOF’s classification tools streamline complex data interpretation, bridging the gap between visual chromatographic patterns and actionable chemical insights.

Christina Kelly (LECO Applications Chemist) demonstrates how to use the classification tools of ChromaTOF software. Presented as a portion of the LECO 2020 GCxGC Symposium.