Data for: Non-target and suspected-target screening for potentially hazardous chemicals in food contact materials: investigation of paper straws

Published: 13 September 2019| Version 2 | DOI: 10.17632/9jf5rjjsjk.2
Contributor:
Janis Rusko

Description

Briefly the data contains: - Average and individual spectra of the compounds identified in the study - The compiled suspect candidate database, used for non-target screening - Excel workbook for the analysis of retention time outliers - The R script implemented for the mutagenicity and carcinogenicity analysis via the battery of (Q)SAR tools - The output of the R script as an Excel workbook

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