Exploring the Potential of UHPLC-Q-Orbitrap HRMS-Based Untargeted Metabolomics for Discriminating Spatholobus...

This study used untargeted metabolomics via UHPLC-Q-Orbitrap HRMS to compare chemical composition differences between the Chinese medicinal herb Spatholobus suberectus Dunn (Jixueteng) and its common adulterants (Mucuna macrocarpa, Callerya dielsiana, Kadsura heteroclita), aiming to clarify their metabolic profiles. Multivariate statistical analyses (PCA, OPLS-DA), volcano plot analysis, and KEGG pathway enrichment were employed to identify differential metabolites and related pathways. A total of 1157 compounds were identified, predominantly flavonoids, followed by phenolic acids and alkaloids. Significant differential metabolites were screened using VIP > 1 and p < 0.05. For S. suberectus vs. M. macrocarpa and C. dielsiana, differential metabolites were mainly enriched in flavonoid and anthocyanin biosynthesis pathways. In contrast, those between S. suberectus and K. heteroclita concentrated in four pathways: metabolic pathways, secondary metabolite biosynthesis, flavonoid biosynthesis, and flavone/flavonol biosynthesis. These findings reveal interspecific metabolic profile differences, laying a data foundation for developing characteristic chemical marker-based identification techniques. This supplements existing methods and enhances medicinal material quality control.