title: Structural analysis of monoterpene glycosides extracted from Paeonia lactiflora Pall. using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and high-performance liquid chromatography/electrospray ionization tandem mass spectrometry.
abstract: Paeoniflorin standard was first investigated by electrospray ionization Fourier transform ion cyclotron resonance tandem mass spectrometry (ESI-FTICR-MS/MS) using a sustained off-resonance irradiation (SORI) collision-induced dissociation (CID) method at high mass resolution. The experimental results demonstrated that the unambiguous elemental composition of product ions can be obtained at high mass resolution. Comparing MS/MS spectra and the experimental methods of hydrogen and deuterium exchange, the logical fragmentation pathways of paeoniflorin have been proposed. Then, the extracts of the traditional Chinese medicine Paeonia lactiflora Pall. were analyzed by high-performance liquid chromatography/electrospray ionization tandem mass spectrometry (HPLC/ESI-MS/MS). By comparison with the ESI-FTICR-MS/MS data of paeoniflorin, the isomers paeoniflorin and albiflorin in Paeonia lactiflora Pall. have been identified using HPLC/MS with CID in an ion trap and in-source CID. Furthermore, using the characteristic fragmentation pathways, the retention times (t(R)) in HPLC and MS/MS spectra, the structures of three other kinds of monoterpene glycoside compounds have been identified on-line without time-consuming isolation. Thus an HPLC/ESI-MS method for the analysis of constituents in Paeonia lactiflora Pall. has been established.
authors.affiliation: Changchun Institute of Applied Chemistry, Changchun Center of Mass Spectrometry, Chinese Academy of Sciences, Changchun 130022, P.R. China.
authors.forename: Hongjuan
authors.initials: H
authors.lastname: Dong
authors.forename: Zhiqiang
authors.initials: Z
authors.lastname: Liu
authors.forename: Fengrui
authors.initials: F
authors.lastname: Song
authors.forename: Zhan
authors.initials: Z
authors.lastname: Yu
authors.forename: Huilin
authors.initials: H
authors.lastname: Li
authors.forename: Shuying
authors.initials: S
authors.lastname: Liu
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D017357:Cyclotrons; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D004365:Drugs, Chinese Herbal / Q000032:analysis / Q000737:chemistry*; D006027:Glycosides / Q000737:chemistry*; D008968:Molecular Conformation; D039821:Monoterpenes / Q000737:chemistry*; D029596:Paeonia / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: D004365:Drugs, Chinese Herbal; D006027:Glycosides; D039821:Monoterpenes