Analysis of Differential Chemical Constituents in Scrophulariae Radix from Different Areas Using UFLC-Triple TOF-MS/MS / 中国药学杂志

ABSTRACT

OBJECTIVE: To analyze the difference of chemical constituents in Scrophulariae Radix from different areas by UFLC-Triple TOF-MS/MS. METHODS: Through analysis of the multistage tandem mass spectra, the characteristic peaks were extracted with mass spectrometry data peak matching, peak alignment, and noise filtering. Principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were used for data processing. The constituents were identified according to MS accurate mass and MS/MS spectrometry fragmentation information, combined with the software of database search and literature. RESULTS: The chemical constituents in Scrophulariae Radix from different areas were clearly distinguished. Thirty-six chemical constituents were indentified as differential compounds. Among them, there were 11 kinds of common differential chemical constituents, i.e., caffeic acid, aucubin, 5-hydroxymethylfurfural, harpagide, 6-O-methylcatapol, verbascoside, p-coumaric acid, ningpogenin, 6″-O-feruloylharpagide, sibirioside A, and harpagoside. CONCLUSION: This study provides experimental data to reveal the influence of ecological environment and genetic variation on metabolite biosynthesis of Scrophulariae Radix.