ChemistryAtlas Software and Tool
SIRIUS / CSI:FingerID
Spectroscopy and analytical chemistryFree/commercialchemistry softwareMS/MSmetabolomicsformula predictionannotation
MS/MS formula prediction and compound annotation platform for metabolomics and small-molecule identification.
Primary category: Spectroscopy and analytical chemistry.
Access model: Free/commercial.
Curated because it is commonly encountered in chemistry research, teaching, analysis, or computational workflows.
Citation: Software resource: SIRIUS / CSI:FingerID