| 摘要 |
Sample product ion spectra are obtained using a data independent acquisition method. Known m/z values of product ions of a known compound are retrieved. Product ion XICs are generated from the sample product ion spectra. XIC peaks of the generated product ion XICs are grouped by retention time. An XIC peak group is selected. An m/z peak list is created for the XIC peak group by obtaining each monoisotopic peak in each spectrum of the selected XIC peak group. Values are removed from the m/z peak list that match the known m/z values. For each value in the m/z peak list, m/z difference values from the known m/z values are calculated. The m/z difference values are grouped and the number of m/z difference values in each group is counted. If a count of an m/z difference value group exceeds a predetermined count, a modified form is detected. |
