Identification of Chemical Components in Different Parts of Solanum virginianum L. Based on UHPLC-Q-Exactive Orbitrap MS Combined With Feature-Based Molecular Networking.

Solanum virginianum L., a traditional Solanaceae medicinal plant, is clinically valued for dispelling wind-dampness and relieving pain. Previous phytochemical investigations have predominantly focused on the fruits, identifying alkaloids and steroids with notable anti-inflammatory and antipsoriasis activities. However, systematic research regarding the chemical constituents of other medicinal parts, such as roots and stems, remains scarce, hindering a comprehensive understanding of the plant's material basis. To address this gap, this study systematically characterizes the chemical components of different parts leaves-stems, roots, and fruits-providing essential data for the holistic utilization and quality control of S. virginianum. The chemical constituents of S. virginianum. were fully investigated using Ultra-High Performance Liquid Chromatography-Quadrupole-Exactive Orbitrap Mass Spectrometry (UHPLC-Q-Exactive Orbitrap MS) combined with the Feature-based molecular networking (FBMN). A total of 110 chemical components were identified by comparison with reference standards, databases, and literature. Among them, 89 compounds were reported for the first time in this species, 18 compounds were accurately confirmed, and 51 compounds were simultaneously identified in all three parts, leaves-stems (L), roots (R), and fruits (F). The established method enables rapid and effective identification of the main chemical constituents in S. virginianum, providing a reference for its quality control, studies on active components, and mechanism of action exploration.