A strategy for fast screening and identification of sulfur derivatives in medicinal Pueraria species based on the fine isotopic pattern filtering method using ultra-high-resolution mass spectrometry | |
Yang, Min1; Zhou, Zhe2; Guo, De-an1![]() | |
刊名 | ANALYTICA CHIMICA ACTA
![]() |
2015-09-24 | |
卷号 | 894页码:44-53 |
关键词 | Fine isotopic pattern filter Ultra-high-resolution mass Orbitrap Pueraria S-derivative |
ISSN号 | 0003-2670 |
DOI | 10.1016/j.aca.2015.07.050 |
文献子类 | Article |
英文摘要 | Sulfurous compounds are commonly present in plants, fungi, and animals. Most of them were reported to possess various bioactivities. Isotopic pattern filter (IPF) is a powerful tool for screening compounds with distinct isotope pattern. Over the past decades, the IPF was used mainly to study Cl-and Br-containing compounds. To our knowledge, the algorithm was scarcely used to screen S-containing compounds, especially when combined with chromatography analyses, because the S-34 isotopic ion is drastically affected by C-13(2) and O-18. Thus, we present a new method for a fine isotopic pattern filter (FIPF) based on the separated M + 2 ions ((CxHyOzSC2O)-C-12-H-1-O-16-S-32-C-13-O-18, (Cx+2HyOz+1S)-C-12-H-1-O-16-S-34, tentatively named M + 2OC and M + 2S) with an ultra-high-resolution mass (100,000 FWHM @ 400 m/z) to screen sulfur derivatives in traditional Chinese medicines (TCM). This finer algorithm operates through convenient filters, including an accurate mass shift of M + 2OC and M + 2S from M and their relative intensity compared to M. The method was validated at various mass resolutions, mass accuracies, and screening thresholds of flexible elemental compositions. Using the established FIPF method, twelve S-derivatives were found in the popular medicinal used Pueraria species, and 9 of them were tentatively identified by high-resolution multiple stage mass spectrometry (HRMSn). The compounds were used to evaluate the sulfurous compounds' situation in commercially purchased Pueraria products. The strategy presented here provides a promising application of the IPF method in a new field. (C) 2015 Published by Elsevier B.V. |
资助项目 | National Natural Science Foundation of China[81373965] ; National Natural Science Foundation of China[81001630] ; Major Project of Knowledge Innovation Program of the Chinese Academy of Sciences[KSCX2-YW-R-166] ; Twelfth Five-Year National Science & Technology Support Program[2012BAI29B06] ; National Science & Technology Major Project "Key New Drug Creation and Manufacturing program" of the People's Republic of China[2011ZX09307-002-03] |
WOS关键词 | CONSTITUENTS ; METABOLITES ; LOBATA ; ROOTS |
WOS研究方向 | Chemistry |
语种 | 英语 |
出版者 | ELSEVIER SCIENCE BV |
WOS记录号 | WOS:000361832000005 |
内容类型 | 期刊论文 |
源URL | [http://119.78.100.183/handle/2S10ELR8/276393] ![]() |
专题 | 上海中药现代化研究中心 |
通讯作者 | Guo, De-an |
作者单位 | 1.Chinese Acad Sci, Natl Engn Lab TCM Standardizat Technol, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China; 2.ThermoFisher Sci China Co Ltd, Shanghai 201206, Peoples R China |
推荐引用方式 GB/T 7714 | Yang, Min,Zhou, Zhe,Guo, De-an. A strategy for fast screening and identification of sulfur derivatives in medicinal Pueraria species based on the fine isotopic pattern filtering method using ultra-high-resolution mass spectrometry[J]. ANALYTICA CHIMICA ACTA,2015,894:44-53. |
APA | Yang, Min,Zhou, Zhe,&Guo, De-an.(2015).A strategy for fast screening and identification of sulfur derivatives in medicinal Pueraria species based on the fine isotopic pattern filtering method using ultra-high-resolution mass spectrometry.ANALYTICA CHIMICA ACTA,894,44-53. |
MLA | Yang, Min,et al."A strategy for fast screening and identification of sulfur derivatives in medicinal Pueraria species based on the fine isotopic pattern filtering method using ultra-high-resolution mass spectrometry".ANALYTICA CHIMICA ACTA 894(2015):44-53. |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论