Quantification and semiquantification of multiple representative components for the holistic quality control of Allii Macrostemonis Bulbus by ultra high performance liquid chromatography with quadrupole time‐of‐flight tandem mass spectrometry

Abstract

Allii Macrostemonis Bulbus (named Xiebai in China) is a folk medicine with medicinal values for the treatment of thoracic obstruction and cardialgia, and a food additive as well. However, there is even no quantitative standard for Allii Macrostemonis Bulbus recorded in the current edition of the Chinese Pharmacopeia. Hence, simultaneous assay of multiple components is urgent. In this study, chemometric methods were firstly applied to discover the components with significant fluctuation among multiple Allii Macrostemonis Bulbus samples based on optimized fingerprints. Meanwhile, the major components and main absorbed components in rats were all selected as its representative components. Subsequently, a sensitive method was established for the simultaneous determination of 54 components (15 components for quantification and 39 components for semiquantification) by ultra high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry. Moreover, the validated method was successfully applied to evaluate the quality of multiple samples on the market. It became known that multiple Allii Macrostemonis Bulbus samples varied significantly and showed poor consistency. This work illustrated that the proposed approach could improve the quality of Allii Macrostemonis Bulbus, and it also provided a feasible method for quality evaluation of other traditional Chinese medicines.

Rapid Characterization of the major chemical constituents from Polygoni Multiflori Caulis by liquid chromatography tandem mass spectrometry and comparative analysis with Polygoni Multiflori Radix

“…As most of the constituents exhibited more sensitive signal response in negative ion mode, the negative ion mode was chosen for semi‐quantitative analysis. Almost all peaks of samples shown in Table were included in analysis . Furthermore, box‐plots (Fig.…”

Simultaneous Quantification of Multiple Representative Components in the Xian-Ling-Gu-Bao Capsule by Ultra-Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Tandem Mass Spectrometry

“…Chemometric analysis, using techniques such as principal component analysis (PCA), has become an effective approach in the quality evaluation of TCMs and TCMPs [ 32 , 33 ]. From the PCA score plot, significant separation among different samples was observed, and the loadings plot could pick out the potential discriminatory components from differences evaluation as well.…”

Diagnostic ion‐oriented identification and simultaneous quantification of chemical components in Allium chinense G. Don

“…Different collision energies (15,20,25,30,35,40 provide not only clear information on the molecular ions but also the optimal ratio S/N of the molecular ions of the 18 compounds. The suitable MS parameters such as sample cone and collision energy are shown in Supporting Information Table S3 and their multiple reaction monitoring chromatograms are shown in Supporting Information Figure S4.…”

“…In the past decade, UHPLC‐Q‐TOF‐MS has become a rapid qualitative and quantitative analysis method for TCMs due to its higher speed, improved sensitivity, separation capacity and, abundant structural mass information with greater accuracy and precision . Meanwhile, chemometrics analysis were also widely applied to evaluate the chemical consistency of TCMs based on qualitative and quantitative results . In the present study, we first finished the screening of chemical compounds in ACGD.…”