Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography-High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics.
Jean-Luc WolfenderJean-Marc NuzillardJustin Johan Jozias van der HooftJean-Hugues RenaultSamuel BertrandPublished in: Analytical chemistry (2018)
Keyphrases
- tandem mass spectrometry
- high resolution
- liquid chromatography
- ultra high performance liquid chromatography
- mass spectrometry
- high performance liquid chromatography
- gas chromatography
- simultaneous determination
- high resolution mass spectrometry
- gas chromatography mass spectrometry
- solid phase extraction
- molecular docking
- single cell
- magnetic resonance
- big data
- bioinformatics analysis
- solid state
- machine learning