title: A strategy for identification and structural characterization of compounds from Gardenia jasminoides by integrating macroporous resin column chromatography and liquid chromatography-tandem mass spectrometry combined with ion-mobility spectrometry.
abstract: In this paper, an analysis strategy integrating macroporous resin (AB-8) column chromatography and high performance liquid chromatography-electrospray ionization-tandem mass spectrometry (HPLC-ESI-MS/MS) combined with ion mobility spectrometry (IMS) was proposed and applied for identification and structural characterization of compounds from the fruits of Gardenia jasminoides. The extracts of G. jasminoides were separated by AB-8 resin column chromatography combined with reversed phase liquid chromatography (C18 column) and detected by electrospray ionization tandem mass spectrometry. Additionally, ion mobility spectrometry (IMS) was employed as a supplementary separation technique to discover previously undetected isomers from the fruits of G. jasminoides. A total of 71 compounds, including iridoids, flavonoids, triterpenes, monoterpenoids, carotenoids and phenolic acids were identified by the characteristic high resolution mass spectrometry and the ESI-MS/MS fragmentations. In conclusion, the IMS-MS technique achieved the separation of isomers in crocin-3 and crocin-4 according to their acquired mobility drift times differing from classical analysis by mass spectrometry. The proposed strategy can be used as a highly sensitive and efficient procedure for identification and separation isomeric components in extracts of herbal medicines.
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China; University of Chinese Academy of Sciences, Beijing 100039, China.
authors.forename: Lu
authors.initials: L
authors.lastname: Wang
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
authors.forename: Shu
authors.initials: S
authors.lastname: Liu
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China; University of Chinese Academy of Sciences, Beijing 100039, China.
authors.forename: Xueju
authors.initials: X
authors.lastname: Zhang
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
authors.forename: Junpeng
authors.initials: J
authors.lastname: Xing
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
authors.forename: Zhiqiang
authors.initials: Z
authors.lastname: Liu
authors.affiliation: National Center of Mass Spectrometry in Changchun, Jilin Province Key Laboratory of Chinese Medicine Chemistry and Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China. Electronic address: songfr@ciac.ac.cn.
authors.forename: Fengrui
authors.initials: F
authors.lastname: Song
mesh_terms: D002338:Carotenoids / Q000032:analysis / Q000737:chemistry / Q000302:isolation & purification; D002845:Chromatography / Q000379:methods*; D002851:Chromatography, High Pressure Liquid; D056148:Chromatography, Reverse-Phase; D005419:Flavonoids / Q000032:analysis; D005638:Fruit / Q000737:chemistry; D032062:Gardenia / Q000737:chemistry*; D062385:Hydroxybenzoates / Q000032:analysis; D007475:Ion Exchange Resins; D039823:Iridoids / Q000032:analysis; D010936:Plant Extracts / Q000737:chemistry; D010946:Plants, Medicinal / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization; D013057:Spectrum Analysis / Q000379:methods*; D053719:Tandem Mass Spectrometry; D013729:Terpenes / Q000032:analysis
chemical_list: D005419:Flavonoids; D062385:Hydroxybenzoates; D007475:Ion Exchange Resins; D039823:Iridoids; D010936:Plant Extracts; D013729:Terpenes; D002338:Carotenoids; C029036:crocin; C017616:phenolic acid
keywords: Gardenia jasminoides Ellis; Ion mobility spectrometry; LC–MS/MS; Macroporous resin