Jump to Main Content
- Francovic-Fontaine, Élina, et al. Show all 8 Authors
- Analytical chemistry 2019 v.91 no.8 pp. 5191-5199
- algorithms; databases; gases; mass spectrometry; metabolites; metabolomics; models; nuclear magnetic resonance spectroscopy; prediction
- ... Untargeted metabolomic measurements using mass spectrometry are a powerful tool for uncovering new small molecules with environmental and biological importance. The small molecule identification step, however, still remains an enormous challenge due to fragmentation difficulties or unspecific fragment ion information. Current methods to address this challenge are often dependent on databases or re ...