LC-QTof-MSe based untargeted metabolite profiling of Phyllanthus lawii and Phyllanthus scabrifolius

Phyllanthus lawii and P. scabrifolius are underexplored medicinal species within the genus Phyllanthus, renowned for phenolic-rich metabolites with diverse pharmacological activities. This study aimed to provide a comprehensive metabolite overview and chemotaxonomic insight into these taxa using LC-HRMS based untargeted metabolomics. Crude extracts from leaves, stems and roots of both species were profiled by LC-HRMS in negative ion mode, and metabolites were tentatively identified by combining accurate mass measurements with fragmentation patterns. This analysis resulted in the tentative annotation of 51 metabolites, including gallic acid derivatives, ellagitannins, bergenin/norbergenin and their galloyl/coumaroyl esters, flavan 3 ols and multiple quercetin/myricetin glycosides along with other metabolites. Distinct species and tissue specific distribution patterns were observed emerging as potential chemical markers for both species. These findings underscore the potential of untargeted metabolomics for structural hypothesis generation, species authentication. Collectively, this work provides first untargeted metabolomic overview of P. lawii and P. scabrifolius and substantially expands the catalog of tentatively identified metabolites known from these species. Beyond structural discovery, the set of putative chemical markers and the tissue specific metabolite patterns generated here offer a robust basis for species authentication, quality control, and provides a rational starting point for future bioactivity guided metabolomics.