title: Ultra-performance liquid chromatography/time-of-flight mass spectrometry based metabolomics of raw and steamed Panax notoginseng.
abstract: At present, metabolite profiling is of growing importance in herbal medicine fields such as breeding, formulation, quality control and clinical trials. This preliminary study indicated that ultra-performance liquid chromatography/time-of-flight mass spectrometry (UPLC/TOFMS)-based metabolomics allows direct detection of down-stream derivatives of metabolites, arising from the herbal formulation process. This analytical approach allows the discrimination and tentative authentication of unique biomarkers related to different herbal extracts using unsupervised multivariate principal component analysis (PCA). The tentative identification of biomarkers is complemented significantly by the accurate mass measurement of TOFMS and the high resolution and high retention time reproducibility rendered by UPLC. The application of this approach in herbal extract discrimination and ginsenoside biomarker discovery of raw and steamed Panax notoginseng (Burk.) F.H. Chen is demonstrated and discussed.
authors.affiliation: Department of Pharmacy, Faculty of Science, National University of Singapore, 18 Science Drive 4, Singapore. phaccye@nus.edu.sg
authors.forename: Eric C Y
authors.initials: EC
authors.lastname: Chan
authors.forename: Swee-Lee
authors.initials: SL
authors.lastname: Yap
authors.forename: Aik-Jiang
authors.initials: AJ
authors.lastname: Lau
authors.forename: Pay-Chin
authors.initials: PC
authors.lastname: Leow
authors.forename: Ding-Fung
authors.initials: DF
authors.lastname: Toh
authors.forename: Hwee-Ling
authors.initials: HL
authors.lastname: Koh
mesh_terms: D002851:Chromatography, High Pressure Liquid; D003296:Cooking; D006358:Hot Temperature; D053858:Metabolic Networks and Pathways; D053723:Panax notoginseng / Q000737:chemistry / Q000378:metabolism*; D010936:Plant Extracts / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D010936:Plant Extracts