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Updated: Jun 27, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
Published on: May 20, 2013
Multidimensional quantitative analysis, LC-Q-Orbitrap-MS combined with chemical-activity based TOPSIS modeling for
Lan Lan1, Yimin Cao1, Jiajia Yuan1
1NMPA Center for Innovation and Research in Regulatory Science, Shanghai Institute for Drug Control, Shanghai 201203, China.
Abstract:
Platycodon grandiflorus (Jacq.) A. DC., a traditional food-as-medicine species in East Asia, faces quality inconsistencies due to the diverse cultivation practices and varied sources. This study characterized 165 compounds in the 70% methanol extract and 27 oligosaccharides in the aqueous extract using UHPLC-Q-Orbitrap-MS, and developed a chemical-activity integrated quality evaluation system for Platycodon root using TOPSIS analysis. Multidimensional indicators (moisture, ash, extract, saponins, saccharides, nucleotides, and antioxidant activity) were investigated. Fifteen chemical markers, constituting 20.1%-40.2% of the measurable composition, were quantified via HPLC-ELSD, HPLC-DAD, and UV-Vis. Antioxidant capacity was assessed using DPPH and ABTS assays. An unweighted TOPSIS model incorporating 17 chemical and activity indicators was established, identifying two- and three-year-old roots as superior. This framework provides a robust, theory-based methodology for quality standardization, traceability, and grading of Platycodon root, offering a referential model for other herbal medicines.
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