Retrieving and Utilizing Hypothetical Neutral Losses from Tandem Mass Spectra for Spectral Similarity Analysis and Unknown Metabolite Annotation

Spectral similarity comparison through tandem mass spectrometry (MS2) is a powerful approach to annotate known and unknown metabolic features in mass spectrometry (MS)-based untargeted metabolomics. In this work, we proposed the concept of hypothetical neutral loss (HNL), which is the mass difference between a pair of fragment ions in a MS2 spectrum. We demonstrated that HNL values contain core structural information that can be used to accurately assess the structural similarity between two MS2 spectra. We then developed the Core Structure-based Search (CSS) algorithm based on HNL values...


Oct 27 2020 - 12:45pm to 2:00pm
Dr. Zac Hudson
Department of Chemistry, University of British Columbia
Nov 3 2020 - 12:45pm to 2:00pm
Dr. Robert Britton
Department of Chemistry, Simon Fraser University


Congratulations to Kudzi Nyamayaro!

PhD candidate, Kudzi Nyamayaro, has been awarded the Du Pont Canada Fellowship in pulp and paper. The Du Pont Canada Fellowship in pulp and paper has been endowed by Du Pont Canada Inc and the province of British Columbia. The award is offered to...

Congratulations to David Perrin!

Dr. David Perrin has been funded by the CIHR (Canadian Institutes of Health Research) for his research into the development of non-toxic, drug-like products that can intercept the COVID virus. 

The Government of Canada is providing the...