Neutral Loss Scan - Based Strategy for Integrated Identification of Amorfrutin Derivatives, New Peroxisome Proliferator-Activated Receptor Gamma Agonists, from Amorpha Fruticosa by UPLC-QqQ-MS/MS and UPLC-Q-TOF-MS

doi:10.1007/s13361-018-1891-4

CORC > 成都生物研究所 > 中国科学院成都生物研究所 > 生物多样性与生态系统服务领域 > 中国科学院山地生态恢复与生物资源利用重点实验室

	Neutral Loss Scan - Based Strategy for Integrated Identification of Amorfrutin Derivatives, New Peroxisome Proliferator-Activated Receptor Gamma Agonists, from Amorpha Fruticosa by UPLC-QqQ-MS/MS and UPLC-Q-TOF-MS
	Chen, Chu 1,4; Xue, Ying 2; Li, Qing-Miao 1; Wu, Yan 1; Liang, Jian 3,4; Qing, Lin-Sen 3
刊名	JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
	2018-04-01
卷号	29 期号:4 页码:685-693
关键词	Amorfrutins PPAR gamma agonists Amorpha fruticosa UPLC-QqQ-MS/MS UPLC-Q-TOF-MS Neutral loss scan
ISSN号	1044-0305
DOI	10.1007/s13361-018-1891-4
产权排序	1
文献子类	Article
英文摘要	Amorfrutins with a 2-hydroxybenzoic acid core structure are promising natural PPAR gamma agonists with potent antidiabetic activity. Owing to the complex matrix and low concentration in botanical material, the identification of unknown amorfrutins remains a challenge. In the present study, a combined application of UPLC-Q-TOF-MS and UPLC-QqQ-MS was developed to discover unknown amorfrutins from fruits of Amorpha fruticosa. First, reference compounds of amorfrutin A (AA), amorfrutin B (AB), and 2-carboxy-3,5-dihydroxy-4-geranylbibenzyl (AC) were analyzed using UPLC-Q-TOF-MS to reveal the characteristic fragment ions and the possible neutral loss. Second, the extract of A. fruticosa was separated and screened by UPLC-QqQ-MS using neutral loss scan to find out suspect compounds associated with the specified neutral fragment Delta m/z 44. Third, the extract was re-analyzed by UPLC-Q-TOF-MS to obtain the exact mass of quasi-molecular ion and fragment ions of each suspect compound, and to subsequently calculate their corresponding molecular formulas. Finally, according to the molecular formula of suspect compound and its fragment ions and comparing with literature data, structure elucidation of four unidentified amorfrutins was achieved. The results indicated that the combination of QqQ-MS neutral loss scan and Q-TOF-MS molecular formula calculation was proven to be a powerful tool for unknown natural product identification, and this strategy provides an effective solution to discover natural products or metabolites of trace content.
学科主题	Spectroscopy ; Instrumentation ; Analytical Sciences
URL标识	查看原文
WOS关键词	TANDEM MASS-SPECTROMETRY ; LIQUID-CHROMATOGRAPHY ; ELECTROSPRAY-IONIZATION ; STRUCTURAL-CHARACTERIZATION ; NATURAL-PRODUCTS ; PPAR-GAMMA ; METABOLITES ; FLAVONOIDS ; GLYCOSIDES ; CHINENSIS
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry ; Spectroscopy
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000429431900006
内容类型	期刊论文
源URL	[http://210.75.237.14/handle/351003/30284]
专题	生物多样性与生态系统服务领域_中国科学院山地生态恢复与生物资源利用重点实验室
作者单位	1.Sichuan Acad Chinese Med Sci, Chengdu 610041, Sichuan, Peoples R China; 2.Sichuan Prov Ctr Dis Control & Prevent, Chengdu 610041, Sichuan, Peoples R China; 3.Chinese Acad Sci, Chengdu Inst Biol, Nat Prod Res Ctr, Chengdu 610041, Sichuan, Peoples R China 4.CAS Key Laboratory of Mountain Ecological Restoration and Bioresource Utilization and Ecological Restoration and Biodiversity Conservation Key Laboratory of Sichuan Province, Chengdu Institute of Biology, Chinese Academy of Sciences, Chengdu,610041, China;
推荐引用方式 GB/T 7714	Chen, Chu,Xue, Ying,Li, Qing-Miao,et al. Neutral Loss Scan - Based Strategy for Integrated Identification of Amorfrutin Derivatives, New Peroxisome Proliferator-Activated Receptor Gamma Agonists, from Amorpha Fruticosa by UPLC-QqQ-MS/MS and UPLC-Q-TOF-MS[J]. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,2018,29(4):685-693.
APA	Chen, Chu,Xue, Ying,Li, Qing-Miao,Wu, Yan,Liang, Jian,&Qing, Lin-Sen.(2018).Neutral Loss Scan - Based Strategy for Integrated Identification of Amorfrutin Derivatives, New Peroxisome Proliferator-Activated Receptor Gamma Agonists, from Amorpha Fruticosa by UPLC-QqQ-MS/MS and UPLC-Q-TOF-MS.JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,29(4),685-693.
MLA	Chen, Chu,et al."Neutral Loss Scan - Based Strategy for Integrated Identification of Amorfrutin Derivatives, New Peroxisome Proliferator-Activated Receptor Gamma Agonists, from Amorpha Fruticosa by UPLC-QqQ-MS/MS and UPLC-Q-TOF-MS".JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 29.4(2018):685-693.