Metabolite profiling of angelica gigas from different geographical origins using 1H NMR and UPLC-MS analyses

Eun Jin Kim, Joseph Kwon, Seong Hwa Park, Chiyoul Park, Young Bae Seo, Hyun Kyoo Shin, Ho Kyoung Kim, Kwang Sik Lee, Sang Yun Choi, Do Hyun Ryu, Geum Sook Hwang

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62 Citations (Scopus)


Angelica gigas obtained from different geographical regions was characterized using 1H nuclear magnetic resonance (NMR) spectroscopy and ultraperformance liquid chromatography-mass spectrometry (UPLC-MS) followed by multivariate data analyses. Principal component analysis (PCA) and orthogonal partial least-squares-discriminant analysis (OPLS-DA) score plots from 1H NMR and UPLC-MS data sets showed a clear distinction among A. gigas from three different regions in Korea. The major metabolites that contributed to the discrimination factor were primary metabolites including acetate, choline, citrate, 1,3-dimethylurate, fumarate, glucose, histamine, lactose, malate, N-acetylglutamate, succinate, and valine and secondary metabolites including decursin, decursinol, nodakenin, marmesin, 7-hydroxy-6-(2R-hydroxy-3-methylbut-3-ethyl)coumarin in A. gigas roots. The results demonstrate that 1H NMR and UPLC-MS-based metabolic profiling coupled with chemometric analysis can be used to discriminate the geographical origins of various herbal medicines and to identify primary and secondary metabolites responsible for discrimination.

Original languageEnglish
Pages (from-to)8806-8815
Number of pages10
JournalJournal of agricultural and food chemistry
Issue number16
Publication statusPublished - 2011 Aug 24


  • Angelica gigas
  • H NMR
  • chemometric analysis
  • geographical origin
  • metabolite profiling

ASJC Scopus subject areas

  • General Chemistry
  • General Agricultural and Biological Sciences


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