title: Untargeted metabolite analysis-based UHPLC-Q-TOF-MS reveals significant enrichment of p-hydroxybenzyl dimers of citric acids in fresh beige-scape Gastrodia elata (Wutianma).
abstract: In order to comprehensively elucidate the chemical biosynthesis process of the beige-scape Gastrodia elata Blume (Wutianma) as a traditional herbal medicines, the untargeted analysis-based UHPLC-PDA-ESI-Q-TOF-MS reveals the metabolites ranging from the skeletons to novel dimers of citric acids in fresh and dried immature/mature stem tubers. Interestingly, two novel types of dimers for citric acids with the anhydride groups at sn-1 and/or sn-5 were discovered in fresh samples. Moreover, the classical mono- versus novel di-mers, and the aglycons versus the glycosides could be easily discriminated by signature fragmentation patterns and some novel adduct ions. The heat map of contents demonstrated more p-hydroxybenzyl metabolites than gastroxyl ones were determined in fresh Wutianma revealing a significant specificity with the lack of the sufficient gastrodin and gastroxyl products in biosynthetic pathway.
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China. Electronic address: laichangjiang44@126.com.
authors.forename: Chang-Jiang-Sheng
authors.initials: CJ
authors.lastname: Lai
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Yuan
authors.affiliation: College of Pharmacy, Hubei University of Chinese Medicine, Wuhan, 430065, PR China.
authors.forename: Da-Hui
authors.initials: DH
authors.lastname: Liu
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Chuan-Zhi
authors.initials: CZ
authors.lastname: Kang
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: College of Pharmacy, Anhui University of Chinese Medicine, Hefei, 230012, PR China.
authors.forename: Liangping
authors.initials: L
authors.lastname: Zha
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Liping
authors.initials: L
authors.lastname: Kang
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Tong
authors.initials: T
authors.lastname: Chen
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Tie-Gui
authors.initials: TG
authors.lastname: Nan
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China.
authors.forename: Qing-Xiu
authors.initials: QX
authors.lastname: Hao
authors.affiliation: National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, State Key Laboratory Breeding Base of Dao-di Herbs, Beijng, 100700, PR China. Electronic address: huangluqi01@126.com.
authors.forename: Lu-Qi
authors.initials: LQ
authors.lastname: Huang
mesh_terms: D002851:Chromatography, High Pressure Liquid; D019343:Citric Acid; D019281:Dimerization; D031668:Gastrodia; D013058:Mass Spectrometry; D010936:Plant Extracts; D035281:Plant Tubers; D010946:Plants, Medicinal
chemical_list: D010936:Plant Extracts; D019343:Citric Acid
keywords: Citric acids; Gastrodia elata; Gastrodin; Parishins; UHPLC-PDA-ESI-Q-TOF-MS; p-Hydroxybenzyl alcohol