A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption

We have investigated urine samples after coffee consumption using targeted and untargeted approaches to identify furan and 2-methylfuran metabolites in urine samples by UPLC-qToF. The aim was to establish a fast, robust, and time-saving method involving ultra-performance liquid chromatography-quanti...

Full description

Bibliographic Details
Main Authors: Simone Stegmüller, Nadine Beißmann, Jonathan Isaak Kremer, Denise Mehl, Christian Baumann, Elke Richling
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/25/21/5104
_version_ 1797548915763970048
author Simone Stegmüller
Nadine Beißmann
Jonathan Isaak Kremer
Denise Mehl
Christian Baumann
Elke Richling
author_facet Simone Stegmüller
Nadine Beißmann
Jonathan Isaak Kremer
Denise Mehl
Christian Baumann
Elke Richling
author_sort Simone Stegmüller
collection DOAJ
description We have investigated urine samples after coffee consumption using targeted and untargeted approaches to identify furan and 2-methylfuran metabolites in urine samples by UPLC-qToF. The aim was to establish a fast, robust, and time-saving method involving ultra-performance liquid chromatography-quantitative time-of-flight tandem mass spectrometry (UPLC-qToF-MS/MS). The developed method detected previously reported metabolites, such as Lys-BDA, and others that had not been previously identified, or only detected in animal or in vitro studies. The developed UPLC-qToF method detected previously reported metabolites, such as lysine-<i>cis</i>-2-butene-1,4-dial (Lys-BDA) adducts, and others that had not been previously identified, or only detected in animal and in vitro studies. In sum, the UPLC-qToF approach provides additional information that may be valuable in future human or animal intervention studies.
first_indexed 2024-03-10T15:07:35Z
format Article
id doaj.art-f67dd064137d443ca99551232f3db149
institution Directory Open Access Journal
issn 1420-3049
language English
last_indexed 2024-03-10T15:07:35Z
publishDate 2020-11-01
publisher MDPI AG
record_format Article
series Molecules
spelling doaj.art-f67dd064137d443ca99551232f3db1492023-11-20T19:40:23ZengMDPI AGMolecules1420-30492020-11-012521510410.3390/molecules25215104A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee ConsumptionSimone Stegmüller0Nadine Beißmann1Jonathan Isaak Kremer2Denise Mehl3Christian Baumann4Elke Richling5Technische Universität Kaiserslautern, Department of Chemistry, Division of Food Chemistry and Toxicology, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern, GermanyTechnische Universität Kaiserslautern, Department of Chemistry, Division of Food Chemistry and Toxicology, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern, GermanyTechnische Universität Kaiserslautern, Department of Chemistry, Division of Food Chemistry and Toxicology, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern, GermanyAB SCIEX Germany GmbH, 64293 Darmstadt, GermanyAB SCIEX Germany GmbH, 64293 Darmstadt, GermanyTechnische Universität Kaiserslautern, Department of Chemistry, Division of Food Chemistry and Toxicology, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern, GermanyWe have investigated urine samples after coffee consumption using targeted and untargeted approaches to identify furan and 2-methylfuran metabolites in urine samples by UPLC-qToF. The aim was to establish a fast, robust, and time-saving method involving ultra-performance liquid chromatography-quantitative time-of-flight tandem mass spectrometry (UPLC-qToF-MS/MS). The developed method detected previously reported metabolites, such as Lys-BDA, and others that had not been previously identified, or only detected in animal or in vitro studies. The developed UPLC-qToF method detected previously reported metabolites, such as lysine-<i>cis</i>-2-butene-1,4-dial (Lys-BDA) adducts, and others that had not been previously identified, or only detected in animal and in vitro studies. In sum, the UPLC-qToF approach provides additional information that may be valuable in future human or animal intervention studies.https://www.mdpi.com/1420-3049/25/21/5104furan2-methylfuranUPLC-qToFuntargeted analysisurinary metabolites
spellingShingle Simone Stegmüller
Nadine Beißmann
Jonathan Isaak Kremer
Denise Mehl
Christian Baumann
Elke Richling
A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
Molecules
furan
2-methylfuran
UPLC-qToF
untargeted analysis
urinary metabolites
title A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
title_full A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
title_fullStr A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
title_full_unstemmed A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
title_short A New UPLC-qTOF Approach for Elucidating Furan and 2-Methylfuran Metabolites in Human Urine Samples after Coffee Consumption
title_sort new uplc qtof approach for elucidating furan and 2 methylfuran metabolites in human urine samples after coffee consumption
topic furan
2-methylfuran
UPLC-qToF
untargeted analysis
urinary metabolites
url https://www.mdpi.com/1420-3049/25/21/5104
work_keys_str_mv AT simonestegmuller anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT nadinebeißmann anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT jonathanisaakkremer anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT denisemehl anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT christianbaumann anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT elkerichling anewuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT simonestegmuller newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT nadinebeißmann newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT jonathanisaakkremer newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT denisemehl newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT christianbaumann newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption
AT elkerichling newuplcqtofapproachforelucidatingfuranand2methylfuranmetabolitesinhumanurinesamplesaftercoffeeconsumption