Urinary exposure marker discovery for toxicants using UPLC-LTQ-Orbitrap and three untargeted metabolomics approaches

摘要

SMAIT provides a means to effectively and systematically discover DINP metabolite signals but was limited by the artificial isotope precursor compound. In addition, compare to MDF and XCMS Online, SMAIT needs more incubation samples. The MDF may provide an effective way to discover DINP metabolite signals, but it generated many false hits for this dataset. The XCMS Online can discover DINP metabolite signals systematically but may also register many false metabolite signals. The DINP metabolism information can provide valuable information for further investigations of DINP toxicity, toxicokinetics, exposure assessment, and human health effects.