Denice van Herwerden

Evaluation of peak alignment performance of commercial and open-source tools for GC×GC–MS based non-targeted screening

Abstract Comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS) is a powerful tool for analysing complex mixtures, but its wide use is limited by the lack of robust and transparent inter-sample peak alignment workflows. Commercial solutions often rely on proprietary algorithms, while user-frien...