Mass Spectral Data of Primary and Secondary Metabolites Changes in Medicinal Plants by Solvent Polarity

Solvent polarity is a critical factor in metabolite extraction from plants, influencing the recovery of primary and secondary metabolites. Plants contain not only the primary metabolites but also a variety of secondary metabolites with low polarity, which favor a higher proportion of organic solvents. In this repository, 248 representative Korean medicinal plants were examined, and a total of 744 samples were prepared using water and ethanol as extraction solvents with three different polarities (100% water, 50% ethanol, and 100% ethanol). After the feature extraction of the scans corresponding to single compounds, 63,944 scans in the positive mode and 42,481 in the negative mode were subjected to in silico chemical class annotation tools. The chemical taxonomic types were summarized in the datasets, which will provide the significance of the proper solvent selection in plant metabolome research.