Mass spectrometry in untargeted liquid chromatography/mass spectrometry metabolomics: Electrospray ionisation parameters and global coverage of the metabolome.
Fidele TugizimanaPaul A SteenkampLizelle A PiaterIan A DuberyPublished in: Rapid communications in mass spectrometry : RCM (2018)
The observations postulate in that, untargeted LC/MS metabolomics, 'what you see is what you ionise'. Although there is convergence of collected data under different ESI conditions, the nuances observed indicate that the exploration of different ion source settings could be the best trade-off in expanding and maximising the metabolome coverage in untargeted metabolomic experiments.
Keyphrases
- mass spectrometry
- liquid chromatography
- high resolution mass spectrometry
- tandem mass spectrometry
- gas chromatography
- high performance liquid chromatography
- capillary electrophoresis
- affordable care act
- high resolution
- simultaneous determination
- ms ms
- solid phase extraction
- electronic health record
- big data
- healthcare
- gas chromatography mass spectrometry
- deep learning