Ultraviolet photodissociation for non-target screening based identification of organic micro-pollutants in water samples (Q8853)

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.