title: Chemical fingerprint and metabolic profile analysis of ethyl acetate fraction of Gastrodia elata by ultra performance liquid chromatography/quadrupole-time of flight mass spectrometry.
abstract: The chemical fingerprint and metabolic profile of traditional Chinese medicine is very complicated and has been a great challenge. In the present study, chemical fingerprint of ethyl acetate fraction of Gastrodia elata (EtAcGE) and metabolic profile of rat plasma sample after intragastric administration of EtAcGE (2.5g/kg) were investigated using ultra-high performance liquid chromatography coupled with quadrupole-time of flight mass spectrometry (UPLC/Q-TOF MS). A total of 38 chemical constituents of EtAcGE were identified by comparing their retention time, accurate molecular mass and characteristic fragment ions with those of references, or tentatively characterized by comparing molecular formula, fragment ions with that of known compound or information available in literature. And 40 compounds were detected in dosed rat plasma sample, including 16 prototypes and 24 metabolites underwent metabolic process of glucuronidation, glucosylation, sulfation, methylation, hydroxylation, dehydrogenation or mixed modes. The metabolic "soft spots" was hydroxyl or carboxy group. This is the first research for chemical fingerprint and metabolic profile of EtAcGE, which lay a foundation for the further investigation of EtAcGE.
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China; University of Chinese Academy of Science, Beijing 100049, China.
authors.forename: Chunlan
authors.initials: C
authors.lastname: Tang
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China.
authors.forename: Li
authors.initials: L
authors.lastname: Wang
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China.
authors.forename: Xinxin
authors.initials: X
authors.lastname: Liu
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China.
authors.forename: Mengchun
authors.initials: M
authors.lastname: Cheng
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100029, China. Electronic address: hbxiao@dicp.ac.cn.
authors.forename: Hongbin
authors.initials: H
authors.lastname: Xiao
mesh_terms: D000085:Acetates; D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D031668:Gastrodia / Q000737:chemistry*; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D010936:Plant Extracts / Q000097:blood* / Q000378:metabolism / Q000493:pharmacokinetics; D051381:Rats; D017207:Rats, Sprague-Dawley; D015203:Reproducibility of Results
chemical_list: D000085:Acetates; D010936:Plant Extracts; C007650:ethyl acetate
keywords: 3,4-Dihydroxy benzaldehyde (PubChem CID: 8768); 4,4-Dihydroxydiphenylmethane (PubChem CID: 12111); Chemical fingerprint; EtAcGE; Metabolic profile; UPLC/Q-TOF MS; p-Hydroxybenzaldehyde (PubChem CID: 126); p-Hydroxybenzoic acid (PubChem CID: 135); p-Hydroxybenzyl alcohol (PubChem CID: 125)