Multidimensional assessment of different Lonicera floral buds: Integrating morphological characterization with HS–SPME/GC–MS and UPLC–MS/MS metabolic profiling

The genus Lonicera (Caprifoliaceae) comprises approximately 200 species worldwide. The dried flower buds of certain Lonicera species are traditionally used in Chinese medicine for their antipyretic, detoxifying, and wind-heat-dispersing properties. This study systematically evaluated 26 phenotypic traits, volatile organic compounds (VOCs), and non-volatile metabolites in 11 Lonicera accessions (including seven Lonicerae Japonicae Flos [LJF], three Lonicerae Flos [LF], and one Lonicerae Similis Flos [LSF]). Significant phenotypic variation was observed among accessions, with Shannon-Wiener indices ranging from 0.33 to 1.53 for 20 qualitative traits and coefficients of variation ranging from 9.43 % to 25.82 % for six quantitative traits. HS–SPME/GC–MS analysis identified 817 VOCs, with hierarchical clustering analysis (HCA) grouping the 11 accessions into three clusters exhibiting 390 significantly differentially accumulated VOCs. LF and LSF accessions showed significantly higher VOC emissions than LJF. UPLC–MS/MS detected 7720 metabolites, with HCA revealing 2922 significantly differentially accumulated metabolites among the three clusters. Most non-volatile metabolites were significantly more abundant in LJF than in LSF and LF. Compound-based HCA classification largely corresponded with taxonomic relationships. Pearson correlation analysis identified significant associations between 6 phenotypic traits and 27 VOCs, and between 13 phenotypic traits and 66 non-volatile compounds, suggesting these traits may serve as potential markers for metabolite content prediction. These findings provide a foundation for comprehensive utilization and genetic improvement of Lonicera resources, while offering valuable guidance for raw material selection in Lonicera product processing. ● Integrated phenotypic-metabolomic study of 11 Lonicera accessions. ● HS-SPME-GC-MS and UPLC-MS/MS revealed 8537 metabolites, with species-specific patterns. ● Identified trait-metabolite correlations for breeding high-value cultivars.