Global profiling and rapid matching of natural products using diagnostic product ion network and in silico analogue database: Gastrodia elata as a case study
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- 作者：Chang-Jiang-Sheng Laia ; Liangping Zhaa ; Da-Hui Liub ; Liping Kanga ; Xiaojing Maa ; Zhi-Lai Zhana ; Tie-Gui Nana ; Jian Yanga ; Fajie Lia ; Yuan Yuana ; y_yuan0732@163.com" class="auth_mail" title="E-mail the corresponding author ; Lu-Qi Huanga ; huangluqi01@126.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Gastrodia elata ; Diagnostic product ions network ; Parishins ; Phospholipids ; SUMPRODUCT function ; In silico analogue database
- 刊名：Journal of Chromatography A
- 出版年：2016
- 出版时间：22 July 2016
- 年：2016
- 卷：1456
- 期：Complete
- 页码：187-195
- 全文大小：1736 K
文摘
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SUMPRODUCT function was developed for blank subtraction and compound screening.
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DPIs network and in silico analogues database for discovery of novel compounds.
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Isomers were tentatively discriminated by ClogP and MS fragment behaviors.
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A total of 152 compounds including 70 new ones were tentatively characterized.