Comprehensive metabolomic profiling of Panax quinquefolius: qualitative and quantitative analysis across different habitats, harvesting seasons and parts by UPLC/Triple TOF-MS and UPLC/Qtrap-MS

Panax quinquefolius L. (PQ, or American ginseng), is native to North America but is now widely cultivated in China. However, current research primarily focuses on ginsenosides, lacking comprehensive evaluation methods for other chemical constituents. There is also a notable gap in systematic comparisons across different habitats, as well as in-depth analyses of variations due to harvest seasons and plant parts. These gaps hinder the identification of appropriate and differential markers for distinguishing PQ from different sources. A UPLC/Triple TOF-MS approach was employed for comprehensive characterization of the chemical constituents of PQ. Additionally, a widely targeted metabolomics approach based on UPLC/Qtrap-MS was adopted for for PQ, encompassing samples from diverse habitats ( n = 64), harvesting seasons ( n = 34), and plant parts ( n = 47). A precise quantification method for 17 representative compounds was further employed to verify the potential differential markers. A total of 214 compounds were tentatively identified from PQ. Widely targeted metabolomics coupled with multivariate statistical analysis revealed that distinct chemical profiles existed in different habitats, different harvest seasons, and different parts of PQ. Notably, PQ samples from Shandong showed closer chemical profiles to those from North American samples. Several differential markers, including ginsenosides and organic acids, were identified and subsequently validated by precise quantification. This study established a comprehensive, systematic, and highly applicable qualitative and quantitative method to compare PQ from different habitats, harvesting seasons, and plant parts. The approach provided detailed chemical characterization and robust quality evaluation, offering a solid foundation for further research and application. • A comprehensive and highly applicable qualitative and quantitative method for Panax quinquefolius (PQ) was established. • 93 batches of PQ samples were comprehensively analyzed. • Six plant parts and two harvest seasons of PQ samples were systematically analyzed. • Differential markers to distinguish PQ from different sources were identified.