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Updated: Jul 29, 2026
Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
Published on: May 20, 2013
On-line identification of chemical constituents in Polygoni Multiflori Radix and Polygoni Multiflori Radix Praeparata
Rui Yao1,2, Hong Guo2, Xiao-Shu Zhang3
1School of Functional Food and Wine, Shenyang Pharmaceutical University, Shenyang, 110016, Liaoning Province, China.
Objective:
To rapidly characterize the chemical constituents of Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, utilizing ultra-high performance liquid chromatography coupled with quadrupole-orbitrap-linear ion trap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-Linear Ion Trap-MS).
Methods:
Chromatographic separation was achieved on an ACQUITY UPLC BEH phenyl column (1.7 μm, 2.1 × 100 mm) employing a gradient elution of methanol (A) and 0.1% formic acid aqueous solution (B). Mass spectrometric analysis was conducted using a heated electrospray ionization (H-ESI) source operated in negative ion mode. Data processing was performed using Thermo Scientific Compound Discoverer 3.0 software, integrating a self-constructed Polygoni Multiflori Radix MS and MS/MS spectral database. Compounds with a mass error tolerance of ≤ |5| ppm were tentatively identified via freestyle software and further validated by comparison with previously reported literature data.
Results:
A total of 231 chemical constituents were tentatively identified through online analysis, comprising 64 stilbene glycosides, 28 anthraquinones, 38 flavonoids, 45 polyphenols, 18 amino acids, 7 naphthalenes, 6 chromones, 3 alkaloids, 5 fatty acids, and 17 other components. Following 24 h of processing, the levels of stilbene glycosides, free anthraquinones, torachrysone, and torachrysone-8-O-β-D-glucoside were observed to decrease, while the concentrations of dianthrones and bound anthraquinones exhibited a significant reduction. In contrast, the content of gallic acid increased markedly.
Conclusions:
These findings provide a robust scientific foundation for further exploration of the active and toxic components in Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, contributing to a deeper understanding of their pharmacological and toxicological profiles.
