Assign molecular formulas from accurate mass/adducts and match MS/MS spectra by cosine similarity to GNPS/MassBank/HMDB. Use for LC-MS peak annotation, MSI confidence scoring, or KEGG metabolite enrichment (MSEA).
Assign molecular formulas from accurate mass/adducts and match MS/MS spectra by cosine similarity to GNPS/MassBank/HMDB. Use for LC-MS peak annotation, MSI confidence scoring, or KEGG metabolite enrichment (MSEA).