HRMS files obtained from the analysis of polyethylene microplastics exposed to the Mediterranean Sea for 8 weeks
Creators
- 1. Universidade de Santiago de Compostela
- 2. Instituto Español de Oceanografía, Centro Oceanográfico de Baleares
- 3. Mestrelab Research Center (CIM)
- 4. Universitat de les Illes Balears
Description
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 )
Notes
This work was financially supported by Xunta de Galicia (ref. ED431C 2021/06), the Spanish Ministry of Science and Innovation (MCIN) and Spanish State Research Agency (AEI) - MCIN/AEI/10.13039/501100011033 (PID2020-117686RB-C32, PID2020-117686RB-C33, TED2021-131303B-I00, CTM2017-84763-C3-2-R, CTM2017-84763-C3-3-R, CTM2017-90890-REDT and CTM2017-88332-R) and the the Galician Innovation Agency – Xunta de Galicia (001_IN853D-2022). Some of these projects are co-funded by FEDER/EDRF funds.