Work

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

Year: 2020

Type: dataset

Abstract: Raw LC-HRMS data that was used for demonstrating 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.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.4001652

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

Institutions: KWR Water Research Institute, Functional Genomics Center Zurich, Thermo Fisher Scientific (United States)

Language: English

Topic: Mass Spectrometry Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W4393569475

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