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.版本2.3的mzVault数据库（mzVault library）包含56组二级质谱（MS²）谱图，对应各类人工合成卡西酮类化合物（含氘标记类似物）的DH代谢物。该数据集采用Q Exactive Orbitrap仪器完成样本的合成与分析，可用于生物样本的毒理学筛查。