title: Metabolite profiling of Angelica gigas from different geographical origins using 1H NMR and UPLC-MS analyses.
abstract: Angelica gigas obtained from different geographical regions was characterized using (1)H 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 (1)H 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 (1)H 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.
authors.affiliation: Seoul Center, Korea Basic Science Institute, Seoul, Republic of Korea.
authors.forename: Eun Jin
authors.initials: EJ
authors.lastname: Kim
authors.forename: Joseph
authors.initials: J
authors.lastname: Kwon
authors.forename: Seong Hwa
authors.initials: SH
authors.lastname: Park
authors.forename: Chiyoul
authors.initials: C
authors.lastname: Park
authors.forename: Young-Bae
authors.initials: YB
authors.lastname: Seo
authors.forename: Hyun-Kyoo
authors.initials: HK
authors.lastname: Shin
authors.forename: Ho Kyoung
authors.initials: HK
authors.lastname: Kim
authors.forename: Kwang-Sik
authors.initials: KS
authors.lastname: Lee
authors.forename: Sang-Yun
authors.initials: SY
authors.lastname: Choi
authors.forename: Do Hyun
authors.initials: DH
authors.lastname: Ryu
authors.forename: Geum-Sook
authors.initials: GS
authors.lastname: Hwang
mesh_terms: D029969:Angelica / Q000737:chemistry* / Q000145:classification; D002851:Chromatography, High Pressure Liquid; D016002:Discriminant Analysis; D016018:Least-Squares Analysis; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D055442:Metabolome; D018517:Plant Roots / Q000737:chemistry; D056910:Republic of Korea