During nontarget peak finding, SCIEX OS assigns a value to the "Adduct / Charge" column for each compound. Currently, when only singly charged species are present in a sample, the performance and accuracy of this feature is reliable. However, when many multiply charged species are present in a sample, the software will incorrectly assume that an isotopic peak of a multiply charged cluster of peaks is M+H. This leads to false positives and incorrect prediction of charge state.
The software should be able to evaluate the entire isotope cluster to choose the monoisotopic peak before it attempts to predict the adduct/charge. If the peak is found to be another peak (not monoisotopic) then the peak should be excluded from analysis, or the adduct charge should be left blank.