LC-HRMS files from wastewater samples collected in Portugal

  1. Castro, Verónica 1
  2. Fernández-Fernández, Victoria 1
  3. Sá, Mariana F. T. 2
  4. Gomes, Ana I. 2
  5. Montes, Rosa 1
  6. Morais, Daniela F. S. 2
  7. Rodil, Rosario 1
  8. Silva Braga, Rui V. P. S. 3
  9. Saraiva, Isabel 3
  10. Souza-Chaves, Bianca M. 4
  11. Park, Minkyu 4
  12. Vilar, Vitor J. P. 2
  13. Quintana, José Benito 1
  1. 1 Universidade de Santiago de Compostela
    info

    Universidade de Santiago de Compostela

    Santiago de Compostela, España

    ROR https://ror.org/030eybx10

  2. 2 Universidade Do Porto
    info

    Universidade Do Porto

    Oporto, Portugal

    ROR https://ror.org/043pwc612

  3. 3 EFACEC
  4. 4 University of Arizona
    info

    University of Arizona

    Tucson, Estados Unidos

    ROR https://ror.org/03m2x1q45

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Editor: Zenodo

Year of publication: 2022

Type: Dataset

CC BY 4.0

DOI: 10.5281/ZENODO.5830724 lock_openOpen access editor

Abstract

LC-HRMS files corresponding to wastewater samples associated to the paper: <em><strong>M.F.T. Sá et al. Tracking pollutants in a municipal sewage network impairing the operation of a wastewater treatment plant. Science of the Total Environment, 2022, 817, 152518. DOI: 10.1016/j.scitotenv.2021.152518</strong></em> These files contain the LC-QTOF-HRMS data associated with the manuscript: Please note: Data was acquired with an Agilent 6550 QTOF in both:<br> - AutoMSMS (data-dependent acquisition, DDA) <br> - All Ions (data-independent acquisition, DIA) Data is provided in Agilent MassHunter B.10.00 format. 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. 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. 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 "A" and "B" files in the DDA files, corresponding to the first and second iterative injection, respectively. As an example, the file:<br> "PVZ-2 2_B.d" in the AutoMSMS_DDA (either pos or neg) folder:<br> corresponds to the sample PVZ-2 from the second sampling campaign and second injection <strong>If you reuse this data, please cite this dataset (DOI: 10.5281/zenodo.5830725) and the orginal article cited above (DOI: 10.1016/j.scitotenv.2021.152518)</strong>