| 摘要 |
Peak information is collected from MS/MS spectra in which product ions generated from ions derived from multiple compounds exist in a mixed state (S1), and then database search is performed employing one of m/z values for multiple ion species as precursor ion information and employing the peak information from the MS/MS spectra as product ion information to thereby obtain candidate compounds respectively for the compounds and determine a standard MS/MS spectrum for each of the candidate compounds (S2 to S5). Subsequently, a virtual MS/MS spectrum, which is an integration of standard MS/MS spectra for candidate compounds that constitute each of combinations of the above-mentioned candidate compounds, is produced for each of the combinations, and then the similarity between the virtual MS/MS spectrum and an actually measured MS/MS spectrum is calculated (S6). When a candidate compound is a correct-answer compound, the similarity becomes high. Then, the results, such as the names of compounds, are displayed in the order of the degree of the similarity and are shown to a user (S8). In this manner, it becomes possible to simultaneously identify multiple compounds from the MS/MS spectra in which the product ions exist in a mixed state. |
