y A novel neutral loss/product ion scan-incorporated integral approach for the untargeted characterization and comparison of the carboxyl-free ginsenosides from Panax ginseng, Panax quinquefolius, and Panax notoginseng
文献类型：期刊论文
| 作者 | Yang, Wen-zhi; Shi, Xiao-jian; Yao, Chang-liang; Huang, Yong; Hou, Jin-jun ; Han, Su-mei; Feng, Zi-jin; Wei, Wen-long; Wu, Wan-ying; Guo, De-an
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| 刊名 | JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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| 出版日期 | 2020 |
| 卷号 | 177页码:8 |
| ISSN号 | 0731-7085 |
| 关键词 | LTQ-Orbitrap-MS Mass tag Carboxyl-free Ginsenoside Panax Sorted characterization |
| DOI | 10.1016/j.jpba.2019.112813 |
| 通讯作者 | Wu, Wan-ying(wanyingwu@simm.ac.cn) ; Guo, De-an(daguo@simm.ac.cn) |
| 英文摘要 | Differentiated composition in precursor ions for different subclasses of ginsenosides in the negative electrospray-ionization mode has been reported, which lays a foundation for the sorted and untargeted identification of ginsenosides. Carboxyl-free ginsenosides simultaneously from Panax ginseng, P. quinquefolius, and P. notoginseng, were comprehensively characterized and statistically compared. A neutral loss/product ion scan (NL-PIS) incorporated untargeted profiling approach, coupled to ultra-high performance liquid chromatography, was developed on a linear ion-trap/Orbitrap mass spectrometer for characterizing carboxyl-free ginsenosides. It incorporated in-source fragmentation (ISF) full scan-MS1, mass tag-MS2, and product ion scan-MS3. Sixty batches of ginseng samples were analyzed by metabolomics workflows for the discovery of ginsenoside markers. Using formic acid (FA) as the additive, carboxyl-free ginsenosides (protopanaxadiol-type, protopanaxatriol-type, and octillol-type) gave predominant FA-adducts, while rich deprotonated molecules were observed for carboxyl-containing ginsenosides (oleanolic acid-type and malonylated) when source-induced dissociation (SID) was set at 0 V. Based on the NL transition [M+FA-H](-) > [M H](-) and the characteristic sapogenin product ions, a NL-PIS approach was established. It took advantage of the efficient full-information acquisition of ISF-MS1 (SID: 50 V), the high specificity of mass tag (NL: 46.0055 Da)-induced MS2 fragmentation, and the substructure fragmentation of product ion scan-MS3. We could characterize 216 carboxyl-free ginsenosides, and 21 thereof were potentially diagnostic for the species differentiation. Conclusively, sorted and untargeted characterization of the carboxyl-free ginsenosides was achieved by the established NL-PIS approach. In contrast to the conventional NL or PIS-based survey scan strategies, the high-accuracy MSn data obtained can enable more reliable identification of ginsenosides. (C) 2019 Elsevier B.V. All rights reserved. |
| WOS关键词 | MASS-SPECTROMETRY ; SAPONINS ; RESOLUTION ; IDENTIFICATION ; METABOLOMICS ; DISCOVERY |
| 资助项目 | National Natural Science Foundation of China[81503240] ; National Natural Science Foundation of China[81473344] ; National Natural Science Foundation of China[81872996] |
| WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000495148000006 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/281980]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Wu, Wan-ying; Guo, De-an |
| 作者单位 | Chinese Acad Sci, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Haike Rd 501, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Wen-zhi,Shi, Xiao-jian,Yao, Chang-liang,et al. y A novel neutral loss/product ion scan-incorporated integral approach for the untargeted characterization and comparison of the carboxyl-free ginsenosides from Panax ginseng, Panax quinquefolius, and Panax notoginseng[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,2020,177:8. |
| APA | Yang, Wen-zhi.,Shi, Xiao-jian.,Yao, Chang-liang.,Huang, Yong.,Hou, Jin-jun.,...&Guo, De-an.(2020).y A novel neutral loss/product ion scan-incorporated integral approach for the untargeted characterization and comparison of the carboxyl-free ginsenosides from Panax ginseng, Panax quinquefolius, and Panax notoginseng.JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,177,8. |
| MLA | Yang, Wen-zhi,et al."y A novel neutral loss/product ion scan-incorporated integral approach for the untargeted characterization and comparison of the carboxyl-free ginsenosides from Panax ginseng, Panax quinquefolius, and Panax notoginseng".JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 177(2020):8. |
入库方式： OAI收割
来源：上海药物研究所
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