Mass spectral library of plastic migrants analyzed by Gas Chromatography-Dielectric Barrier Discharge Ionization-High Resolution Mass Spectrometry under controlled experimental conditions

  1. Blázquez-Martín, Javier 12
  2. Jiménez-Salcedo, Marta 2
  3. García-Barrasa, Jorge 1
  4. Tena, María Teresa 2
  1. 1 Centro Nacional de Tecnologías del Envase (CENTIDE). C/ San Lázaro 36, Nave 4, 26500, Calahorra, La Rioja, Spain
  2. 2 Department of Chemistry, University of La Rioja. C/ Madre de Dios 53, 26006, Logroño, La Rioja, Spain

Editor: Zenodo

Year of publication: 2026

Type: Dataset

Version: 1

CC BY 4.0

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DOI: 10.5281/ZENODO.20276853 lock_openOpen access editor
Dataset versions :
Version Created DOI
1 18-05-2026 10.5281/zenodo.20276854

Abstract

This work presents a curated dataset of 54 compounds analyzed using gas chromatography coupled to dielectric barrier discharge ionization-high resolution mass spectrometry (DBDI-HRMS). The dataset includes processed spectra acquired under controlled experimental conditions, with detailed description of instrumental parameters, ionization conditions, and environmental variables. Spectra were acquired using a GC-DBDI-Q-Orbitrap-HRMS operating in positive mode, covering an m/z range of from 55 to 800 Da. All data are publicly available in Zenodo This dataset provides a reference for compound identification, method development, and comparative studies involving DBDI sources. In addition, this dataset can be highly useful in non-targeted analyses of contaminant migration from plastics into food, as it provides a useful reference framework for identifying unknown compounds and interpreting complex chemical profiles, contributing to a more robust assessment of food safety.