diff --git a/corems/molecular_id/search/molecularFormulaSearch.py b/corems/molecular_id/search/molecularFormulaSearch.py index 34ff898c..33c9b54a 100644 --- a/corems/molecular_id/search/molecularFormulaSearch.py +++ b/corems/molecular_id/search/molecularFormulaSearch.py @@ -711,13 +711,13 @@ def mass_by_ion_type(possible_formula_obj): return possible_formula_obj._radical_mz(ion_charge) elif ion_type == Labels.adduct_ion and adduct_atom: - return possible_formula._adduct_mz(ion_charge, adduct_atom) + return possible_formula_obj._adduct_mz(ion_charge, adduct_atom) else: # will return externally calculated mz if is set, #use on Bruker Reference list import # if the ion type is known the ion mass based on molecular formula ion type # if ion type is unknow will return neutral mass - return possible_formula.mz_calc + return possible_formula_obj.mz_calc if formulas: if isinstance(formulas[0], LCMSLibRefMolecularFormula):