Chemical Comparison of White Ginseng before and after Extrusion by UHPLC-Q-Orbitrap-MS/MS and Multivariate Statistical Analysis.

Yun-Long Guo,Ming-Zhu Zheng,Hao Zhang,Shu-Ying Liu,Yu-Zhu Wu,Yang Wang,Xiu-Ying Xu,Jing-Sheng Liu,Cheng-Bin Zhao,Yi-Lin Zhao,Rongda Xu

doi:10.1155/2020/4764219

Abstract

Ultrahigh-performance liquid chromatography Quadrupole-Orbitrap tandem mass spectrometry (UHPLC-Q-Orbitrap-MS/MS) was used to compare the composition of ginsenosides in white ginseng (WG) and extruded white ginseng (EWG). A total of 45 saponins, including original neutral ginsenosides, malonyl-ginsenosides, and chemical transformation of ginsenosides, were successfully identified in both WG and EWG. Multivariate statistical analyses including supervised orthogonal partial least squared discrimination analysis (OPLS-DA) and hierarchical clustering analysis (HCA) were used to analyze components of white ginseng before and after extrusion. As a result, three ginsenosides (malonyl (M)-Rb1, M-Rb2, and M-Rc) were found to be increased in WG, while three ginsenosides (Rb2, Rc, and Rg1) were elevated in EWG. In the OPLS-DA S-plot, the different compositions of ginsenoside that were distinguished between WG and EWG were screened out. Experimental results indicate that the UHPLC-Q-Orbitrap-MS/MS is a useful tool to characterize variations of ginsenosides in WG and EWG.

Highlights

In the present study, we applied UHPLC-Q-Orbitrap-MS/ MS combined with multivariate statistical analysis approach to assess the ginsenoside compositions of white ginseng (WG) and extruded white ginseng (EWG)
Full-scan MS data were acquired at the centroid mode from m/z 150 to 2000 Detected mass (Da), 70,000 resolution, automatic gain control (AGC), the target of 1 × 106, and maximum injection time (IT) of 100 ms. e parameters of dd-MS2 were set as follows: 17,000 resolution, automatic gain control (AGC) the target of 1 × 105, maximum injection time (IT) of 50 ms, Loop count 5, isolation window 4.0 m/z and NCE/stepped NCE. e MS/MS data were acquired in Full-MS/ddMS2 mode using the following settings: resolution 17,000 with AGC target of 1×105, maximum ITof 50 ms, and the normalized collision energy (NCE) of 25–55
UHPLC-Q-Orbitrap-MS/MS Analysis of White Ginseng and Extruded White Ginseng. e ultrahigh-performance liquid chromatography combined high-resolution mass spectrometry has been proved as an effective analytical tool for ginsenoside analysis in complex extracts of Chinese herb medicine [31,32,33,34]

Summary

Materials and Methods

Full-scan MS data were acquired at the centroid mode from m/z 150 to 2000 Da, 70,000 resolution, automatic gain control (AGC), the target of 1 × 106, and maximum injection time (IT) of 100 ms. E parameters of dd-MS2 were set as follows: 17,000 resolution, automatic gain control (AGC) the target of 1 × 105, maximum injection time (IT) of 50 ms, Loop count 5, isolation window 4.0 m/z and NCE/stepped NCE. E SIEVE (version2.1, ermo Fisher, San Jose, CA, USA) software was used to process the raw data of samples, which could detect the mass, retention time, and intensity of the peaks in each TIC. E resultant dataset, containing m/z value @ retention time, the normalized intensity, and the sample code, was used to perform the multivariate statistical analysis. In the OPLS-DA model, ions with variable importance in projection VIP values larger than 1 were highlighted and were further filtered by t-test (SPSS19.0, Chicago, IL, USA). e components with p < 0.05 were considered significant and were selected as analytical markers

Results and Discussion

28.1 C50H84O19

Conclusions