LC-HRMS files from wastewater samples collected in Portugal

<p>LC-HRMS files corresponding to wastewater samples associated to the paper:</p> <p><em><strong><a href="https://doi.org/10.1016/j.scitotenv.2021.152518">M.F.T. S&aacute; et al.&nbsp;Tracking pollutants in a municipal sewage network impairing the operation of a wastewater treatment plant.&nbsp;Science of the Total Environment,&nbsp;2022,&nbsp;817, 152518. DOI: 10.1016/j.scitotenv.2021.152518</a></strong></em></p> <p>These files contain the LC-QTOF-HRMS data associated with the manuscript:</p> <p>Please note:</p> <p>Data was acquired with an Agilent 6550 QTOF in both:<br> - AutoMSMS (data-dependent acquisition, DDA)&nbsp;<br> - All Ions (data-independent acquisition, DIA)</p> <p>Data is provided in Agilent MassHunter B.10.00 format.</p> <p>In the case of AutoMSMS the iterative mode with two injections per sample was employed.<br> Further details on how samples were processed is presented in the manuscript.</p> <p>Data is therefore structure in two folders, one for DDA and one for DIA.<br> Each folder is then further divided between positive and negative mode.</p> <p>Files are named accordingly to the sample, using the same codes than in the manuscript.<br> The number after the code refers to the sample campaign.<br> Besides, there are &quot;A&quot; and &quot;B&quot; files in the DDA files, corresponding to the first and second iterative injection, respectively.</p> <p>As an example, the file:<br> &quot;PVZ-2 2_B.d&quot; in the AutoMSMS_DDA (either pos or neg) folder:<br> corresponds to the sample PVZ-2 from the second sampling campaign and second injection</p> <p><strong>If you reuse this data, please cite this dataset (<a href="https://doi.org/10.5281/zenodo.5830725">DOI:&nbsp;10.5281/zenodo.5830725</a>) and the orginal article cited above (<a href="https://doi.org/10.1016/j.scitotenv.2021.152518">DOI: 10.1016/j.scitotenv.2021.152518</a>)</strong></p>