The Century Mix as QC for untargeted metabolomics using GCxGC (Anaïs Rodrigues, MDCW 2025)

🎤 Presenter: Anaïs Rodrigues (University of Liège, Liège, Belgium)

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💡 Book in your calendar: 17th Multidimensional Chromatography Workshop (MDCW) 13 - 15. January 2026

Abstract

Over the past decade, metabolomics has gained significant importance in the life sciences, offering insights into metabolic pathways involved in various pathological processes. As this technology becomes crucial in research, the need to enhance and standardize quality assurance (QA) and quality control (QC) practices in untargeted metabolomics has intensified. Despite efforts to develop QA/QC systems, such as those of the Metabolomics Quality Assurance and Quality Control Consortium (mQACC), challenges remain, particularly in terms of documentation and standardization, which are essential for advancing non- targeted metabolomics.

In our research, we focused on establishing a robust QA/QC system for untargeted analysis using GC×GC-TOFMS systems. We analyzed the Century Mix (CM), a QC solution mix developed by the FDA comprising 100 diverse compounds, to assess analytical performance. The method effectively monitored compounds with varying volatility and chemical functions, demonstrating good distribution and separation across the 2D chromatogram during a 60-minute run on different instruments with varying column sets.

To ensure the reliability of our analytical processes, we implemented a sophisticated QA/QC system featuring control charts that tracked retention time and response (area values) for all compounds over six months. Our goal is to extend this systematic approach to all four GC×GC systems in our laboratory, across various sample types and studies, to establish a standardized and robust QA/QC framework using the CM, thereby enhancing the precision and reproducibility of untargeted metabolomics research.