Large scale analysis of metabolomics datasets

Identifier:  TFG:8122

Handle: https://hdl.handle.net/20.500.11797/TFG8122

Authors:  Orts Macip, Pau

Abstract:
In metabolomics studies, metabolite identification and annotation is the main bottleneck. In this project an R-based annotation algorithm based on in-source fragmentation is implemented, comparing features from MS1 data from public studies with MS/MS spectra from NIST library. Thus, many identitites will be asigned for previously unknown metabolites and molecules. In turn, comparison and analysis of the metabolites annotated across different studies will be done, obtaining information of different metabolic pathways and understanding differences between species or subjects. Also, metabolite-metabolite associations with high correlation will be analysed across the studies, providing deeper insights.