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Molecules 2017, 22(11), 2031; doi:10.3390/molecules22112031

New Metabolites of Coumarin Detected in Human Urine Using Ultra Performance Liquid Chromatography/Quadrupole-Time-of-Flight Tandem Mass Spectrometry

Department of Pharmacy, Federal University of Paraná, Street Pref. Lothário Meissner, 632, 80210-170 Curitiba, Paraná, Brazil
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Received: 12 October 2017 / Revised: 12 November 2017 / Accepted: 17 November 2017 / Published: 22 November 2017
(This article belongs to the Special Issue Versatile Coumarins)
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Abstract

Coumarin (1,2-benzopyrone) is a natural compound whose metabolism in humans was established in the 1970s. However, a new metabolite was recently identified in human plasma, indicating that the metabolism of coumarin has not been completely elucidated. To complement the knowledge of its metabolism, a rapid and sensitive method using UPLC-QTOF-MS was developed. A total of 12 metabolites was identified using MetaboLynxTM software, including eight metabolites not previously reported in human urine. The identified biotransformation included hydroxylation, glucuronidation, sulfation, methylation, and conjugation with N-acetylcysteine. The present work demonstrates that the metabolism study of coumarin was incomplete, possibly due to limitations of old techniques. The identification of eight inedited metabolites of such a simple molecule suggests that the information regarding the metabolism of other drugs may also be incomplete, and therefore, new investigations are necessary. View Full-Text
Keywords: coumarin; metabolism; urine; humans; chromatography; high pressure liquid; mass spectrometry coumarin; metabolism; urine; humans; chromatography; high pressure liquid; mass spectrometry
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MDPI and ACS Style

Leonart, L.P.; Gasparetto, J.C.; Pontes, F.L.D.; Cerqueira, L.B.; de Francisco, T.M.G.; Pontarolo, R. New Metabolites of Coumarin Detected in Human Urine Using Ultra Performance Liquid Chromatography/Quadrupole-Time-of-Flight Tandem Mass Spectrometry. Molecules 2017, 22, 2031.

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