Identification of metabolites in rat plasma,bile,urine and feces after oral administration of Cinnamomi Cortex aqueous extract by UPLC-Qtrap-MS / 中国中药杂志

An ultra-performance liquid chromatography hybrid triple quadrupole-linear ion trap mass spectrometry(UPLC-QtrapMS) method was established to identify the metabolites in rat plasma,bile,urine and feces after oral administration of Cinnamomi Cortex(CC) aqueous extract. Several survey experiments,such as enhanced mass spectrum scan(EMS),precursor ion scan(PI),neutral loss scan(NL) and multiple ions monitoring(MIM) were applied to search target components,and two separate enhanced product ion(EPI) scans were triggered via information-dependent acquisition(IDA) method to generate the MS/MS spectra. According to the mass spectrometric data collected from reference standards and reported literature,the structures of metabolites were deduced. A total of76 metabolites and 5 original compounds were tentatively identified in rats after oral administration of CC aqueous extract. Deglycosylation,methylation,sulfonation,and glucuronidation were observed as the primary metabolic pathways for the chemical constituents of CC. These data are able to benefit the clarification of the therapeutic material basis,the clinical usage and further R&D of CC.

Four new phenolic glycosides from Baoyuan decoction

Four new phenolic glycosides, including two flavonoid glycosides (and) and two lignan glycosides (and), were isolated from the traditional Chinese medicine formula, Baoyuan decoction. Their structures were established by detailed analysis of the NMR and HR-ESI-MS spectroscopic data and their absolute configurations were determined by the experimental electronic circular dichroism data as well as chemical methods. Furthermore, the sources of the four new compounds were determined by the UPLC-Qtrap-MS method, which proved thatandare originated from, andandare from.

Analysis and evaluation of dynamic accumulation of multiple active components in xanthii herba / 中国药学杂志

OBJECTIVE: To develop a method for the determination of phenolic acids, anthraquinones, and flavonoids in Xanthii Herba at different harvest time by UPLC-QTRAP-MS/MS and analyze the dynamic accumulation of multiple active components in Xanthii Herba. METHODS: Chromatographic separation was conducted on an Agilent ZORBAX SB-C18 (4.6 mm×250 mm, 5 μm) column with gradient elution using methanol and 0.2% formic acid as mobile phases. MS analysis was carried out using electrospray ionization in negative MRM mode. Grey related degree was used for the comprehensive evaluation. RESULTS: The calibration curves for the 18 components showed good linearity (r>0.9994) in the range of the tested concentrations. The average recoveries of the 18 components were from 96.96% to 102.55% with relative standard deviations (RSDs) less than 3%. There were differences in the contents of 18 components in Xanthii Herba at different harvest periods. Xanthii Herba had high quality in late July and mid-July. CONCLUSION: This study reveals the rule of the dynamic accumulation of 18 components in Xanthii Herba and provides information for the suitable harvest time.

Simultaneous determination of multiple constituents in scrophulariae radix from different habitats and commercial herbs by UPLC-QTRAP-MS/MS / 中国药学杂志

OBJECTIVE: To develop a method for the determination of iridoid, phenylpropanoid glycosides, and organic acids in Scrophulariae Radix from different habitats and commercial herbs by UPLC-QTRAP-MS/MS. METHODS: The analysis was carried out on a BDS HYPERSIL C18 column (4.6 mm×250 mm, 5 μm) with elution by mobile phase of acetonitrile-water at a flow rate of 1.0 mL·min-1. The column temperature was maintained at 35℃. The target compounds were analyzed by the negative ion multiple reaction monitoring (MRM) mode. RESULTS: Twelve multiple constituents showed good linearity (r>0.9994) in the range of the tested concentration. The average recoveries of the 12 components were 99.59%-101.24% with relative standard deviations of 0.93%-1.60%. CONCLUSION: The established method is accurate and precise, which provides a reliable and effective technique for the quality evaluation of Scrophulariae Radix.