Ultraviolet photodissociation for non-target screening based identification of organic micro-pollutants in water samples

DOI10.5281/zenodo.4001653Zenodo4001653MaRDI QIDQ6677853FDOQ6677853

Dataset published at Zenodo repository.

Romain Huguet, Dennis Vughs, Seema Sharma, Andrea Mizzi Brunner, Jonas Grossmann, Christian Panse

Publication date: 28 August 2020

Copyright license: Creative Commons Attribution 4.0 International

Description

Raw LC-HRMS data that was used fordemonstrating the the use of the fragmentation technique ultraviolet photodissociation (UVPD) for the structural elucidation of organic micropollutants (OMPs) in water samples in combination with the uvpd R-package (https://github.com/cpanse/uvpd/). The dataset consists of HCD and UVPD fragmentation data of reference standard samples acquired at various collision energies and reaction times, respectively. The analyses were performed with a Vanquish Horizon UHPLC system coupled to an Orbitrap Fusion Lumos Tribrid instrument with positive and negative ESI ionization. More analytical details are in Panse et al., Molecules, submitted.

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