HRMS files obtained from the analysis of polyethylene microplastics exposed to the Mediterranean Sea for 8 weeks

Resumo

These files contain the GC-QTOF-HRMS and LC-QTOF-HRMS data associated with the manuscript: Screening of organic chemicals associated to virgin low-density polyethylene microplastic pellets exposed to the Mediterranean Sea environment by combining gas chromatography and liquid chromatography coupled to quadrupole-time-of-flight mass spectrometry. Science of the Total Environment. 2024, article number 171250.  https://doi.org/10.1016/j.scitotenv.2024.171250  It contains the raw GC-HRMS and LC-HRMS files (Agilent format) of polyethylene microplastics (MPs) exposed to the Mediterranean Sea for 8 weeks. For further information on extraction of chemicals from MPs and detailed determination conditions, please read the related publication. GC-HRMS data was acquired in electron ionization in a 7200 quadrupole time-of-flight (QTOF) mass spectrometer from Agilent Technologies. Both centroid and profile spectra were recorded. Both the raw extract in ethyl acetate and the extract after derivatization with MSTFA were recorded. These are provided in separate zip files:- GC-QTOF.zip contains data from raw extracts- GC-QTOF_der.zip contains data from derivatized extracts These Zip files contain 3 replicates of each exposure time (0-8 weeks) and 3 replicates of a blank. LC-HRMS data was acquired with an Agilent 6550 QTOF in AutoMSMS (data-dependent acquisition, DDA) equiped with an electrospray source in centroid mode only and is stored in the file:- LC-QTOF.zip These Zip files contain 3 replicates of each exposure time (0, 4 and 8 weeks only) and 3 replicates of a blank, both in positive and negative ionization mode. If you reuse these data, please cite this dataset (DOI: 10.5281/zenodo.7974647) and the orginal article cited above (DOI: 10.1016/j.scitotenv.2024.171250 )