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Updated: May 8, 2025

A Strategy for Sensitive, Large Scale Quantitative Metabolomics
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代谢物注释的质量评估基于MS/MS数据的综合模拟,这些数据来自高分辨率质谱学 (HRMS) 和相似度评分

Yingjiao Shi1, Ji Yang2, Qianxu Yang3

  • 1College of Environmental and Chemical Engineering, Dalian University, Dalian, 116622, China.

Analytical and bioanalytical chemistry
|April 18, 2025
PubMed
概括

在代谢学中准确地注释代谢物是具有挑战性的. 这项研究模拟了双重质谱 (MS/MS) 数据,并建立了一个虚拟数据库来评估注释方法,提高复杂样本的可靠性.

关键词:
发现的代谢学.错误的阳性代谢物注释高分辨率质谱测量高分辨率质谱测量模拟MS/MS数据的模拟虚拟数据库 虚拟数据库 虚拟数据库

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