ABSTRACT
Objective: Identification of chemical constituents from Gengen Qinlian Decoction by UPLC-LTQ-Orbitrap-MS. Methods: The analysis was performed on Dikma Endeavorsil C18 (100 mm × 2.1 mm, 1.8 μm) with mobile phase of 0.1% formic acid water solution (A)-acetonitrile (B) for gradient elution at a flow rate of 0.3 mL/min. The UPLC-LTQ-Orbitrap-MS was equipped with an Electrospray ionization ion probe and MS1 and MS2 data of samples were collected in positive and negative ion mode, respectively. Results: A total of 67 constituents were identified from Gegen Qinlian Decoction by reference substance identification, software prediction analysis and related literature reports, including 36 flavonoids, 12 alkaloids, four triterpenoids and triterpenoid saponins, and 15 other ingredients. Conclusion: In this study, UPLC-LTQ-Orbitrap-MS was used to systematically elucidate the chemical constituents of Gegen Qinlian Decoction, and the fragmentation characteristics of its main chemical constituents were preliminarily explained and summarized, which provided a reference for the quality control and mechanism research of Gegen Qinlian Decoction.
ABSTRACT
Objective: To identify the major chemical compounds in 78 batches of the exocarp of Juglans mandshurica from different origins by ultra performance liquid chromatography coupled with time-of-fight mass spectrometry (UFLC-Q-TOF/MS) and determine the major active chemical components. Methods: The separation was performed on Waters Acquity UPLC BEH C18 column (100 mm × 2.1 mm, 1.7 μm), with a mobile phase using water with 0.1% formic acid (A) and acetonitrile with 0.1% formic acid (B) for gradient elution; Q-TOF/MS and electrospray ion (ESI) source were applied for the analysis under the positive ion mode; One thousand ions were extracted through Markerview 1.2.1 software from 78 batches. And common ions (compounds) were selected according to the following principles: One ion can be detected in all samples, and the relative strength is greater than the e4. Then the formula of common ions were determined by accurate mass and isotopic abundance ratio from target screening function of Peakview 2.0/masterview1.0 software. Their structures were determined by analysis of MS/MS fragment or comparison with standard substances and references. Results: Thirty-one major chemical compounds including eleven naphthalene quinones, three diarylheptanoids, three flavonoids, eight triterpenes, and six other compounds were identified or inferred in the exocarp of J. mandshurica. Conclusion: UPLC-Q-TOF/MS method which develops a new strategy can identify the main chemical constituents from the exocarp of J. mandshurica rapidly and accurately, main chemical constituents can be used for the quality evaluation and efficacy material research.