Untargeted metabolomics coupled with chemometric analysis reveals species-specific steroidal alkaloids for the authentication of medicinal Fritillariae Bulbus and relevant products

Feng Jie Liu, Yan Jiang, Ping Li, Yang Dan Liu, Zhong Ping Yao, Gui Zhong Xin, Hui Jun Li

Research output: Journal article publicationJournal articleAcademic researchpeer-review

11 Citations (Scopus)


Authentication of original species is embedded in the quality control system of herbal medicines. In this work, ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based untargeted metabolomics coupled with chemometric analysis was utilized for the precise authentication of the Fritillaria species for both raw materials and commercial products. First, a stepwise difference-enlarging chemometric analysis strategy was proposed to analyze eight medicinal Fritillaria species. Subsequently, 21 species-specific markers were discovered and the specificity was investigated under different sample preparation methods. Finally, the obtained species-specific markers were successfully utilized to identify the Fritillaria species in commercially relevant products. This work is the first to report robust and specific markers for authentication of Fritillaria products, showing promise for tracking the supply chain of herbal suppliers.

Original languageEnglish
Article number460630
JournalJournal of Chromatography A
Publication statusPublished - 8 Feb 2020


  • Authentication
  • Chemometrics
  • Fritillariae Bulbus
  • Species-specific markers
  • Untargeted metabolomics

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry

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