Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis
Charles N. Lowe, Kristin Isaacs, Andrew D. McEachran, Chris Grulke, Jon R. Sobus, Elin M. Ulrich, Ann M. Richard, Alex Chao, John F. Wambaugh, Antony Williams
Topics & Concepts
Mass spectrometryElectrospray ionizationChromatographyChemistryIonizationElectrosprayResolution (logic)Analytical Chemistry (journal)Liquid chromatography–mass spectrometryComputer scienceArtificial intelligenceIonOrganic chemistryMetabolomics and Mass Spectrometry StudiesAdvanced Chemical Sensor TechnologiesAnalytical Chemistry and Chromatography