Untargeted UHPLC-HRMS-based metabolomics for traceability of lupin (Lupinus albus L.): Revealing the impact of geographical origin and farming practices

Lupin is an emerging sustainable protein source with significant nutritional and agronomic value. However, its metabolomic composition varies due to genetic and environmental factors, influencing traceability and quality. This study employed ultra-high performance liquid chromatography coupled with Q-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-HRMS) fingerprinting to investigate metabolic differences in raw Lupinus albus L. samples from different geographical origins and farming practices. Chemometric analyses, including Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA) and Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA), successfully differentiated samples based on their metabolic profiles. The study identified over 20 putative metabolite markers for each experiment, demonstrating significant influences of cultivation region and agricultural methods on lupin composition. These findings provide a reliable analytical approach for improving lupin traceability, quality assessment, and sustainable production, emphasizing the potential of untargeted metabolomics in food authentication and traceability. Laboratory and material icons were created with BioRender ( https://www.biorender.com ). • Origin and farming differences in lupins were revealed by UHPLC-HRMS fingerprinting. • OPLS-DA effectively distinguished lupins by geographical origin and farming. • 33 and 25 markers were putatively identified for origin and farming, respectively. • Alkaloids mainly marked origin, while glycerophospholipids marked farming methods. • The untargeted workflow was effective for lupin traceability and quality control.