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Updated: Jun 12, 2025

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

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通过MS2Tox对水分析和基于毒性的特征优先级的非目标质谱数据采集策略的评估

Pilleriin Peets1,2, May Britt Rian3, Jonathan W Martin3,4

  • 1Department of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius Väg 16, SE-106 91, Stockholm, Sweden.

Environmental science & technology
|September 19, 2024
PubMed
概括

机器学习工具MS2Tox从分子MS2光谱中预测鱼类的死亡率. 与环境水样中的数据独立采集 (DIA) 相比,数据依赖采集 (DDA) 改善了结构注释和毒性预测的准确性.

关键词:
这是LC-HRMS.LC50 LC50 的意思是什么?MS/MS数据采集方法高分辨率质谱测量高分辨率质谱机器学习就是机器学习.没有针对性的分析.没有针对性的查.毒性预测 毒性预测

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Identification of Pharmaceuticals in The Aquatic Environment Using HPLC-ESI-Q-TOF-MS and Elimination of Erythromycin Through Photo-Induced Degradation05:46

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Peptide Identification Using Tandem Mass Spectrometry

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