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UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib

Imatinib is a selective tyrosine kinase inhibitor used to treat chronic myeloid leukemia. It enters the environment by excretion from the body through urine and feces and is transferred with wastewater to a wastewater treatment plant. There, it can be degraded by activated sludge, forming a number o...

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Autores principales: Tkalec, Žiga, Negreira, Noelia, López de Alda, Miren, Barceló, Damiá, Kosjek, Tina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8897666/
https://www.ncbi.nlm.nih.gov/pubmed/35257019
http://dx.doi.org/10.1016/j.dib.2022.107991
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author Tkalec, Žiga
Negreira, Noelia
López de Alda, Miren
Barceló, Damiá
Kosjek, Tina
author_facet Tkalec, Žiga
Negreira, Noelia
López de Alda, Miren
Barceló, Damiá
Kosjek, Tina
author_sort Tkalec, Žiga
collection PubMed
description Imatinib is a selective tyrosine kinase inhibitor used to treat chronic myeloid leukemia. It enters the environment by excretion from the body through urine and feces and is transferred with wastewater to a wastewater treatment plant. There, it can be degraded by activated sludge, forming a number of biotransformation products. Presence of imatinib and its potential transformation products in the environment can impose a high risk to aquatic organisms and human health, therefore it is important to obtain knowledge of its environmental fate. The data presented here is a result of a simulated biodegradation of imatinib at two levels of activated sludge using a batch biotransformation setup, with and without carbon source. The data was acquired with UHPLC-HRMS/MS and processed by MzMine2.36 [1]. The dataset presents a table of [M+H](+) features with retention times and corresponding MS/MS data. With development of new data mining tools this data can be used to identify new transformation products of imatinib and with it fully understand its environmental fate and the risk associated with its presence in the environment.
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spelling pubmed-88976662022-03-06 UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib Tkalec, Žiga Negreira, Noelia López de Alda, Miren Barceló, Damiá Kosjek, Tina Data Brief Data Article Imatinib is a selective tyrosine kinase inhibitor used to treat chronic myeloid leukemia. It enters the environment by excretion from the body through urine and feces and is transferred with wastewater to a wastewater treatment plant. There, it can be degraded by activated sludge, forming a number of biotransformation products. Presence of imatinib and its potential transformation products in the environment can impose a high risk to aquatic organisms and human health, therefore it is important to obtain knowledge of its environmental fate. The data presented here is a result of a simulated biodegradation of imatinib at two levels of activated sludge using a batch biotransformation setup, with and without carbon source. The data was acquired with UHPLC-HRMS/MS and processed by MzMine2.36 [1]. The dataset presents a table of [M+H](+) features with retention times and corresponding MS/MS data. With development of new data mining tools this data can be used to identify new transformation products of imatinib and with it fully understand its environmental fate and the risk associated with its presence in the environment. Elsevier 2022-02-23 /pmc/articles/PMC8897666/ /pubmed/35257019 http://dx.doi.org/10.1016/j.dib.2022.107991 Text en © 2022 The Author(s). Published by Elsevier Inc. https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Data Article
Tkalec, Žiga
Negreira, Noelia
López de Alda, Miren
Barceló, Damiá
Kosjek, Tina
UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title_full UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title_fullStr UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title_full_unstemmed UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title_short UHPLC-HRMS data from non-targeted screening for biotransformation products of cytostatic drug imatinib
title_sort uhplc-hrms data from non-targeted screening for biotransformation products of cytostatic drug imatinib
topic Data Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8897666/
https://www.ncbi.nlm.nih.gov/pubmed/35257019
http://dx.doi.org/10.1016/j.dib.2022.107991
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