Autonomous Metabolomics for Rapid Metabolite Identification in Global Profiling
Benton HP, Ivanisevic J, Mahieu NG, Kurczy ME, Johnson CH, Franco L, Rinehart D, Valentine E, Gowda H, Ubhi BK, Tautenhahn R, Gieschen A, Fields MW, Patti GJ, Siuzdak G. Autonomous Metabolomics for Rapid Metabolite Identification in Global Profiling. Analytical Chemistry 2014, 87: 884-891. PMID: 25496351, PMCID: PMC4303330, DOI: 10.1021/ac5025649.Peer-Reviewed Original ResearchConceptsMass spectrometry data acquisitionSystems biology levelMass spectrometry analysisBioinformatics resourcesGlobal profilingTandem mass spectrometry dataProfiling datasetsMass spectrometry databaseMass spectrometry dataSpectrometry analysisProfilingData acquisitionSpectrometry dataRapid metabolite identificationMetabolomic profilingUntargeted metabolomicsBacterial samplesMetabolomicsSimultaneous data processingIdentificationMetabolite identificationMetabolomics workflowsFliesAutomatic searchAutonomous approach