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Updated: Jan 17, 2026

An Integrated Workflow of Identification and Quantification on FDR Control-Based Untargeted Metabolome
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从MS1到结构:一个基于香味的Van Krevelen-DBE框架,用于通过高分辨率质谱测量来说明专门的代谢物

Nerilson M Lima1, Luana A Pereira1, Lucas S Tironi1

  • 1Institute of Chemistry, Federal University of Alfenas, Alfenas, Minas Gerais, Brazil.

Rapid communications in mass spectrometry : RCM
|September 23, 2025
PubMed
概括

这项研究引入了一种新的化学信息框架,用于使用高分辨率质谱 (HRMS) 数据对特殊代谢物进行分类. 该方法在复杂样本中提高了代谢物注释的可靠性,而不需要MS2碎片.

关键词:
范克列文图表 范克列文图表双重债券等价债券 (DBE) 是指双重债券等价债券.高分辨率质谱仪 (HRMS) 是一种高分辨率质谱仪.自然产品是自然产品的产品.没有目标的代谢学.

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