Table 3.
Transformation | Nominal mass shift, ΔDa | Exact mass shift, ΔDa | Exact mass shift, mDa | Formula change |
---|---|---|---|---|
Null | 0 | 0 | 0 | Carminic acid |
Deglucosylation + dehydroxylation | −178 | −178.0477 | −47.7 | −C6H10O5 − O |
Deglucosylation | −162 | −162.0528 | −52.8 | −C6H10O5 |
Decarboxylation | −44 | −43.9898 | −10.2 | −CO2 |
Dehydroxylation | −16 | −15.9949 | −5.1 | −O |
Oxidation | −2 | −2.0157 | −15.6 | −H2 |
Dehydroxylation + amination | −1 | −0.9840 | +1984.0 | −O + NH |
Amination | +15 | +15.0109 | −10.9 | +NH |
Methyleneoxy conjugation | +28 | +27.9949 | +5.1 | +CO |
Demethylation + carboxylation | +30 | +29.9747 | −25.3 | −CH2 + CO2 |
Hydroxyethyl conjugation | +44 | +44.0262 | −26.2 | +C2H4O |
Hydroxybenzoic acid conjugation | +120 | +120.0211 | −21.1 | +C7H4O2 |