4.6 Article

Impurity Profiling of Dinotefuran by High Resolution Mass Spectrometry and SIRIUS Tool

期刊

MOLECULES
卷 27, 期 16, 页码 -

出版社

MDPI
DOI: 10.3390/molecules27165251

关键词

fragment tree; impurity profiling; SIRIUS; dinotefuran

资金

  1. National Key R&D Program of China [2019YFC1604801]

向作者/读者索取更多资源

In this study, a combined strategy of liquid chromatography high-resolution mass spectrometry and SIRIUS was employed to successfully identify two by-product impurities and one stereoisomer in dinotefuran material, and their fragmentation pathways and formation mechanisms were proposed.
Dinotefuran (DNT) is a neonicotinoid insecticide widely used in pest control. Identification of structurally related impurities is indispensable during material purification and pesticide registration and certified reference material development, and therefore needs to be carefully characterized. In this study, a combined strategy with liquid chromatography high-resolution mass spectrometry and SIRIUS has been developed to elucidate impurities from DNT material. MS and MS/MS spectra were used to score the impurity candidates by isotope score and fragment tree in the computer assisted tool, SIRIUS. DNT, the main component, worked as an anchor for formula identification and impurity structure elucidation. With this strategy, two by-product impurities and one stereoisomer were identified. Their fragmentation pathways were concluded, and the mechanism for impurity formation was also proposed. This result showed a successful application for combined human intelligence and machine learning, in the identification of pesticide impurities.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据