UPLC-QTOF-MS based metabolomics coupled with the diagnostic ion exploration strategy for rapidly evaluating sulfur-fumigation caused holistic quality variation in medicinal herbs, Moutan Cortex as an example

Xiu Yang Li, Jin Di Xu, Jun XU, Ming Kong, Shan Shan Zhou, Qian Mao, Eric Brand, Hubiao CHEN, Hong Quan Liu*, Song Lin Li

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)

Abstract

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 in medicinal herbs was proposed and validated by employing Moutan Cortex (MC), a commonly used traditional Chinese medicinal herb, 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 were rapidly found and structurally elucidated to be pinane monoterpene glucoside 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 glucoside sulfonates were detected and identified in S-MS with the diagnostic ion extraction; finally, the holistic quality variation in 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 in S-MC, and that the proposed strategy should be applicable for rapid evaluation of sulfur-fumigation caused holistic quality variation in other medicinal herbs.

Original languageEnglish
Pages (from-to)1034-1043
Number of pages10
JournalAnalytical Methods
Volume8
Issue number5
DOIs
Publication statusPublished - 7 Feb 2016

Scopus Subject Areas

  • Analytical Chemistry
  • Chemical Engineering(all)
  • Engineering(all)

Fingerprint

Dive into the research topics of 'UPLC-QTOF-MS based metabolomics coupled with the diagnostic ion exploration strategy for rapidly evaluating sulfur-fumigation caused holistic quality variation in medicinal herbs, Moutan Cortex as an example'. Together they form a unique fingerprint.

Cite this