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Effects of structural characteristics of (un)conjugated steroid metabolites in their collision cross section value
dc.contributor.author | Bressan, Claudia | |
dc.contributor.author | Celma, Alberto | |
dc.contributor.author | Alechaga Silva, Élida | |
dc.contributor.author | Monfort, Nuria | |
dc.contributor.author | Ventura, Rosa | |
dc.contributor.author | Sancho, Juan V | |
dc.date.accessioned | 2023-06-16T06:20:44Z | |
dc.date.available | 2023-06-16T06:20:44Z | |
dc.date.issued | 2023-05-08 | |
dc.identifier.citation | Bressan, C., Celma, A., Alechaga, É., Monfort, N., Ventura, R., Sancho, J. V. Effects of structural characteristics of (un)conjugated steroid metabolites in their collision cross section value, Anal Chim Acta. 1254 (2023) 341128. 10.1016/j.aca.2023.341128 | ca_CA |
dc.identifier.issn | 0003-2670 | |
dc.identifier.uri | http://hdl.handle.net/10234/202862 | |
dc.description.abstract | In this work, the collision cross section (CCS) value of 103 steroids (including unconjugated metabolites and phase II metabolites conjugated with sulfate and glucuronide groups) was determined by liquid chromatography coupled to traveling wave ion mobility spectrometry (LC-TWIMS). A time of flight (QTOF) mass analyzer was used to perform the analytes determination at high-resolution mass spectrometry. An electrospray ionization source (ESI) was used to generate [M+H]+, [M + NH4]+ and/or [M − H]- ions. High reproducibility was observed for the CCS determination in both urine and standard solutions, obtaining RSD lower than 0.3% and 0.5% in all cases respectively. CCS determination in matrix was in accordance with the CCS measured in standards solution showing deviations below 2%. In general, CCS values were directly correlated with the ion mass and allowed differentiating between glucuronides, sulfates and free steroids although differences among steroids of the same group were less significant. However, more specific information was obtained for phase II metabolites observing differences in the CCS value of isomeric pairs concerning the conjugation position or the α/β configuration, which could be useful in the structural elucidation of new steroid metabolites in the anti-doping field. Finally, the potential of IMS reducing interferences from the sample matrix was also tested for the analysis of a glucuronide metabolite of bolasterone (5β-androstan-7α,17α-dimethyl-3α,17β-diol-3-glucuronide) in urine samples. | ca_CA |
dc.format.extent | 12 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | Elsevier | ca_CA |
dc.relation | Aplicación de los avances recientes en espectrometría de masas al análisis de drogas y fármacos en fluidos biológicos | ca_CA |
dc.relation.isPartOf | Analytica Chimica Acta, 2023, vol. 1254 | ca_CA |
dc.rights | Copyright © Elsevier B.V. All rights reserved. | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/CNE/1.0/ | ca_CA |
dc.subject | isomeric compounds | ca_CA |
dc.subject | ion mobility | ca_CA |
dc.subject | anti-doping | ca_CA |
dc.subject | urine analysis | ca_CA |
dc.subject | collision cross section | ca_CA |
dc.title | Effects of structural characteristics of (un)conjugated steroid metabolites in their collision cross section value | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.1016/j.aca.2023.341128 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.relation.publisherVersion | https://www.sciencedirect.com/science/article/pii/S0003267023003495?casa_token=jBTds6NISicAAAAA:_ruAkladePOEsNJypr12xZhdTXrXLUW2P__Xxa2YTqkDU8Jdjg3im-7ulus-Qx6DNowSXZo5 | ca_CA |
dc.description.sponsorship | The authors are grateful for the financial support received from Ministerio de Economía y Competitividad (CTQ2015-63968-C2-2-P) and University Jaume I (UJI-B2020-19). The support of Consell Català de l’Esport (Generalitat de Catalunya) and AGAUR (Generalitat de Catalunya) (reference number 2021SGR0040) is also gratefully acknowledged. | |
dc.type.version | info:eu-repo/semantics/submittedVersion | ca_CA |
project.funder.identifier | http://dx.doi.org/10.13039/501100003329 | ca_CA |
project.funder.name | Ministerio de Economía y Competitividad (España) | ca_CA |
project.funder.name | University Jaume I | ca_CA |
project.funder.name | Generalitat de Catalunya | ca_CA |
oaire.awardNumber | MINECO/ICTI2013-2016/CTQ2015-63968-C2-2-P | ca_CA |
oaire.awardNumber | UJI-B2020-19 | ca_CA |
oaire.awardNumber | 2021SGR0040 | ca_CA |
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