Dataset on the Differential Metabolite Composition of Ripe and Green Fruit Coats of Solanum mauritianum

This dataset documents a comparative untargeted metabolomic analysis of secondary metabolites present in the ripe and green fruit coats of Solanum mauritianum Scop., a widely distributed invasive plant species with documented ethnopharmacological relevance. The data were generated to address the lack of publicly available metabolomic resources capturing maturation-dependent biochemical variation in S. mauritianum fruit tissues. Samples of ripe and green fruit coats were analysed using liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (LC–QTOF–MS/MS). The dataset comprises raw and processed mass spectrometric data, including retention times, accurate precursor ion masses, and MS/MS fragmentation spectra. Metabolite annotation was performed using established spectral databases and accurate mass matching, and all compounds were assigned putative identities at Metabolomics Standards Initiative (MSI) Level 2. In total, 35 secondary metabolites were annotated across both developmental stages. Seventeen metabolites were detected exclusively in ripe fruit coats, seven were unique to green fruit coats, and eleven metabolites were shared between both stages. These distributions highlight stage-dependent shifts in secondary metabolism associated with fruit maturation. The dataset also includes derived summary tables and comparative analyses that enable assessment of metabolite presence, overlap, and class-level composition between maturation stages. This data article complements a previously published research article that focused on ripe fruit components and their biological activities. By including both ripe and green fruit coats, the present dataset extends those findings and provides a resource for further investigations into ontogenic variation, biosynthetic pathway activity, and the relationship between fruit development and phytochemical diversity. The dataset is intended to support reuse in metabolomics, phytochemistry, natural product discovery, and plant developmental studies.