Dr. Samanipour and Denice van Herwerden presented at the LC-Ms/Ms2022 meeting in Barcelona, Spain.
Denice talked about her new fragment alignment analysis where she tries to find the connection between the experimental conditions (i.e. collision energy) and the generated fragments. Her tool will give us a better way of matching spectra coming from different instruments. The presentation
Citation: van Herwerden, Denice, Samanipour, Saer, Thomas, Kevin, & O’Brien, Jake. (2022, December 12). Exploring the potential for a fragmentation alignment index for database matching. Zenodo. https://doi.org/10.5281/zenodo.7429216
Saer on the other hand, presented an in silico tool for selection of the chemicals that can be potentially analyzed via RP-LC-HRMS. This tool is meant to provide another database filtering strategy to minimize the number of false identifications.
Citation: Samanipour, Saer, Nikolopoulos, Alexandros, van Herwerden, Denice, O’Brien, Jake, Barron, Leon, & Thomas, Kevin. (2022, December 12). An in-silico coverage evaluation of RPLC-MS chemical space via two different retention indices scales. Zenodo. https://doi.org/10.5281/zenodo.7428943
In the meantime we also managed to have fun!