mzVault library of dihydro-metabolites from 28 synthetic cathinones and their corresponding deuterated analogues

mzVault library (version 2.3), comprising 56 MS² spectra of DH-metabolites of various synthetic cathinones (including deuterium-labelled analogues), synthesised and analysed using a Q Exactive Orbitrap instrument, available for toxicological screening in biological samples.mzVault质谱库（mzVault library，版本2.3）包含56组源自多种人工合成卡西酮类物质（含氘标记类似物）的脱氢代谢物的二级质谱（MS²）谱图。该数据集通过Q Exactive轨道阱质谱仪完成样本合成与谱图分析，可用于生物样本的毒理学筛查。