A LC-MS method for the measurement of 245 compounds of interest in toxicology with a fully-automated sample preparation

For screening of drugs two steps are needed: an analysis for identification and another for the measurement of detected compounds. At both stages, manual multiple-step extraction procedures are usually used before LC-MS analysis. We propose a solution: (i) using a fully-automated extraction procedure directly coupled to the LC-MS system, with no human intervention; (ii) that simultaneously identifies and quantitates compounds of interest for toxicological application, based on an MRM spectrum mode (MRM-SpM) method where up to 15 MRM transitions per compound are followed. Ion intensities from each transition are used to construct an MRM spectrum that could be used to search against registered library spectra. As conventional MRM method, MRM transition enable quantification of the compound.