UPLC-QTOF-MS based metabolomics coupled with diagnostic ion exploration strategy for rapidly evaluating sulfur-fumigation caused holistic quality variation of medicinal herbs, Mutan Cortex as an example
In the present study, a new strategy using UPLC-QTOF-MS based metabolomics coupled with diagnostic ion exploration for rapidly evaluating sulfur-fumigation caused holistic quality variation of medicinal herbs was proposed and validated by employing Moutan Cortex (MC) as an example.First, the UPLC-QTOF-MS data of MC and sulfur-fumigated MC (S-MC) were subjected to unsupervised segregation principal component analysis (PCA) and supervised orthogonal partial least squares discriminant analysis (OPLS-DA), three chemical markers in S-MC was found and elucidated to be pinane monoterpene glucosides sulfonates; Then, after exploring the MS fragmentation pattern of these chemical markers, a common sulfur-containing ion m/z 259 was selected as the diagnostic ion, and additional seven pinane monoterpene glucosides sulfonates were detected and identified in S-MS with the diagnostic ion extraction; Finally, the holistic quality variation of MC was further dissected by dynamic determination of these ten characteristic components at different durations of sulfur-fumigation.All the results indicated that sulfur-fumigation can induce chemical transformation of pinane monoterpene glucosides in MC, and the duration of sulfur-fumigation was a decisive factor in the holistic quality variation of S-MC, and that the proposed strategy should be applicable for rapid evaluation on sulfur-fumigation caused holistic quality variation of other medicinal herbs.
UPLC-QTOF-MS Metabolomics Diagnostic ion exploration Mutan Cortex Holistic quality Sulfur-fumigation
Xiu-Yang Li Jin-Di Xu Jun Xu Ming Kong Shan-Shan Zhou Eric Brand Hu-Biao Chen Hong-Quan Liu Song-Lin Li
Department of Pharmaceutical Analysis, Hospital of Integrated Traditional Chinese and Western Medici School of Chinese Medicine, Hong Kong Baptist University, Hong Kong 999077 Department of Metabolomics, Jiangsu Province Academy of Traditional Chinese Medicine and Jiangsu Bra Department of Pharmaceutical Analysis, Hospital of Integrated Traditional Chinese and Western Medici
国内会议
兰州
英文
769-781
2015-08-13（万方平台首次上网日期，不代表论文的发表时间）