Characterization of Differential Metabolites of Tienilic Acid and Its 3-Thiophene Isomer with Ion Mobility Enabled Mass Spectrometry

Library Number:
PSTR135029161
Author(s):
Lauren Mullin, Giorgis Isaac, Ian Wilson, Muireann Coen, Nathan Anderson, Robert Plumb
Source:
Waters, Imperial College, London.
Content Type:
Posters
Content Subtype:
ISSX
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ACQUITY UPLC I-Class System
  • Tienilic acid (TA) is a uricosuric diuretic found to induce immune-mediated hepatotoxicity in patients, while its 3-thiophene isomer (TAI) exhibits direct hepatotoxic effects, and differential metabolism has been reported for these two compounds.
  • The aim of this study is to demonstrate the use of high resolution mass spectrometry (HRMS) coupled with ion mobility separation (IMS) in the determination of common and differential metabolites from rat urine samples obtained over a course of treatment with TA or TAI.
  • Specifically, IMS-derived collision-cross section (CCS) measurements for proposed metabolites are compared with predicted values obtained through a machinelearning model, providing an avenue for further metabolite structural identification support.

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