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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
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高分辨率MS光谱图书馆的计算扩展

Brandon Y Lieng1,2,3, Andrew T Quaile1,2,3, Xavier Domingo-Almenara4,5

  • 1Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON M5S 3E1, Canada.

Analytical chemistry
|November 14, 2023
PubMed
概括

本研究介绍了一种计算方法,用于生成高分辨率的MSn光谱,以改善在非目标代谢学中代谢物识别. 该方法增强了光谱库,有助于解决复杂的分子结构.

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