MSident: Straightforward identification of chemical compounds from MS-resolved spectra
Carlos Pérez-López, Antoni Ginebreda, Joaquim Jaumot, Flávia Yoshie Yamamoto, Damià Barceló, Romá Tauler
Topics & Concepts
Mass spectrometryIdentification (biology)WorkflowMass spectrumChemistryComputer scienceBiological systemData miningPattern recognition (psychology)Analytical Chemistry (journal)ChromatographyArtificial intelligenceDatabaseBotanyBiologyMetabolomics and Mass Spectrometry StudiesAdvanced Chemical Sensor TechnologiesSpectroscopy and Chemometric Analyses