A New Strategy for Oxidative Metabolite Identification by QTRAP LC/MS: Use of Multiple Ion Monitoring-Dependent MS/MS Acquisition and Data Mining

摘要

One of the most powerful scanning functions of QTRAP is the MRM-enhanced product ion (EPI) scan mode that can monitor more than 100 MRM transitions and trigger MS/MS acquisition with excellent sensitivity and selectivity. However, the technique is not suitable for detecting metabolites that have unpredicted molecular weights or fragmentation patterns. Recently, a multiple ion monitoring (MIM)-EPI scanning method derived from MRM-EPI was developed in our lab. In the MIM analysis, the energy of the CID in Q2 is reduced to a minimal level, and the same targeted analytes are monitored in both Q1 and Q3. Here we present a novel strategy for profiling oxidative metabolites by acquiring MS/MS data using a generic MIM-EPI method and subsequent MS/MS data mining.