| 摘要 |
A product ion spectrum is prepared based on data obtained by MS2 analysis for each of a parent compound and a metabolite (S1, S2). Further, a neutral loss spectrum is prepared using, instead of mass, a difference in mass between each product ion and a precursor ion (S3). For the parent compound and the metabolite, a peak common in mass is extracted in neutral loss spectra(S4). A complementary peak at a position of a difference in mass between the common peak, which appears on the product ion spectrum for the metabolite, and the precursor ion is extracted (S5). The ion corresponding to the complementary peak is set as a precursor ion in a next MS3 analysis (S6), and the MS3 analysis is executed (S7). When the part common to the parent compound and the metabolite is eliminated as a neutral molecule while allowing the remaining part to stay as an ion, the MS3 analysis is carried out using the ion as the remaining part as the precursor ion to obtain information on the structure of the metabolic site. |
