天然产物的质谱智能解析研究

发布时间：2018-09-10 09:10

【摘要】：串联质谱在鉴定天然产物的分子结构方面起着重要的作用.每一类天然产物,在串联质谱中除有常规的质谱裂解方式外,通常还具有因特定骨架类型而产生的特征裂解.因此可以通过天然产物各类成分的特征质谱裂解所产生的特征碎片离子(diagnostic ions)来确认该类天然产物的结构类型,然后再由常规的裂解方式来推测其周边可能的取代基团.基于以上思路,我们设计并构建了一种天然产物质谱智能解析软件SmartMass.
[Abstract]:Tandem mass spectrometry plays an important role in identifying the molecular structure of natural products. Each kind of natural product usually has the characteristic cleavage caused by the specific skeleton type in addition to the conventional mass spectrometry cleavage mode in tandem mass spectrometry. Therefore, the structural types of natural products can be confirmed by characteristic fragment ion (diagnostic ions) produced by characteristic mass spectrometry of various components of natural products, and then the possible substituents around them can be inferred by conventional pyrolysis methods. Based on the above ideas, we have designed and constructed a natural product mass spectrometry intelligent analysis software SmartMass..
【作者单位】： 中国科学院成都生物研究所;
【基金】：国家自然科学基金(编号:21572221,21572219,21672206,21302180,21072185) 中国科学院昆明植物研究所植物化学与西部植物资源持续利用国家重点实验室开放课题(编号:P2015-KF09)资助项目
【分类号】：O629;O657.63
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本文编号：2234007