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

Žiga Tkalec; Noelia Negreira; Miren López de Alda; Damiá Barceló; Tina Kosjek

doi:10.1016/j.dib.2022.107991

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

Data Brief. 2022 Feb 23:41:107991. doi: 10.1016/j.dib.2022.107991. eCollection 2022 Apr.

Authors

Žiga Tkalec^{1

2}, Noelia Negreira³, Miren López de Alda³, Damiá Barceló³, Tina Kosjek^{1

2}

Affiliations

¹ Jožef Stefan Institute, Department of Environmental Sciences, Ljubljana, Slovenia.
² Jožef Stefan International Postgraduate School, Ljubljana, Slovenia.
³ Water, Environmental and Food Chemistry Unit, Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research, Spanish National Research Council, Barcelona, Spain.

Abstract

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.

Keywords: Anticancer; Biodegradation; Drug; Transformation product; Wastewater.