Rapid screening and characterization of drug metabolites using a multiple ion monitoring-dependent MS/MS acquisition method on a hybrid triple quadrupole-linear ion trap mass spectrometer

Journal of Mass Spectrometry : JMS
Ming YaoMingshe Zhu

Abstract

A novel LC/MS/MS method that uses multiple ion monitoring (MIM) as a survey scan to trigger the acquisition of enhanced product ions (EPI) on a hybrid quadrupole-linear ion trap mass spectrometer (Q TRAP) was developed for drug metabolite identification. In the MIM experiment, multiple predicted metabolite ions were monitored in both Q1 and Q3. The collision energy in Q2 was set to a low value to minimize fragmentation. Results from analyzing ritonavir metabolites in rat hepatocytes demonstrate that MIM-EPI was capable of targeting a larger number of metabolites regardless of their fragmentation and retained sensitivity and duty cycle similar to multiple reaction monitoring (MRM)-EPI. MIM-based scanning methods were shown to be particularly useful in several applications. First, MIM-EPI enabled the sensitive detection and MS/MS acquisition of up to 100 predicted metabolites. Second, MIM-MRM-EPI was better than MRM-EPI in the analysis of metabolites that undergo either predictable or unpredictable fragmentation pathways. Finally, a combination of MIM-EPI and full-scan MS (EMS), as an alternative to EMS-EPI, was well suited for routine in vitro metabolite profiling. Overall, MIM-EPI significantly enhanced the metabolite identific...Continue Reading

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Nov 5, 2003·Journal of the American Society for Mass Spectrometry·Aleksey V TolmachevRichard D Smith
Nov 2, 2011·Chemical Research in Toxicology·Feng LiXiaochao Ma
Jan 21, 2012·The Journal of Pharmacology and Experimental Therapeutics·Xin ZhouXinxin Ding
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Jul 3, 2015·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Yu SunShaojiang Song
Nov 21, 2008·Journal of Mass Spectrometry : JMS·Wei XuZheng Ouyang
May 1, 2019·The Journal of Clinical Investigation·Amina I ShehuXiaochao Ma
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Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Kiho LeeSoo Jin Oh
May 6, 2021·International Journal of Molecular Sciences·Jingfang BianThomas Chuen Lam

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