LC-QTOF-MS^E with MS¹-based precursor ion quantification and SiMD-assisted identification enhances human urine metabolite analysis.

ABSTRACT: This study presents the development and validation of a liquid chromatography-quadrupole-time-of-flight mass spectrometry method with data-independent acquisition (LC-QTOF-MS^E) for targeted quantification, post-targeted screening, and untargeted metabolite profiling. Using MS¹-based precursor ion quantification, the method demonstrated excellent analytical performance with linearity (R² > 0.99), accuracy (84 %-131 %), and precision (1 %-17 % relative standard deviation (RSD)). Although LC-QTOF‑MS^E sensitivity is at least nine-fold lower than LC-triple quadrupole MS with multiple reaction monitoring, it remains adequate for quantifying urinary metabolites, particularly those that fragment poorly or yield low‑intensity product ions. For post‑targeted s

SUBMITTER: Kurilung A 

PROVIDER: S-EPMC12284563 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature