| 摘要 |
A check condition setting screen (6) to set conditions for confirming, using a qualifier ion, whether a target ion originates from a target compound, is provided with choices: “ABSOLUTE TOLERATION” and “RELATIVE TOLERATION”, as well as “ABSOLUTE TOLERATION OR RELATIVE TOLERATION” mode, as qualifier ion modes. When the “ABSOLUTE TOLERATION OR RELATIVE TOLERATION” mode is set, an identification range Pa is calculated from a qualifier ion ratio reference value and an absolute tolerance, and an identification range Pr is calculated from the qualifier ion ratio reference value and a relative tolerance, for each qualifier ion for one target ion, and whichever of the two identification ranges is the greater is selected. In addition, when a setting to limit the upper limit value of an identification range to 100% is enabled, the upper limit value of the identification range is limited to 100%, and when the lower limit value of the identification range exceeds 100%, a warning display indicating above upper limit is performed. This allows analyses consistent with various guidelines to be conducted efficiently with simple operations. |
| 主权项 |
1. A data-processing system for mass-spectrometry that, with a predetermined qualifier ion for confirming a target compound having a different mass-to-charge ratio from that of a target ion characterizing the target compound and having a specified mass-to-charge ratio, calculates signal intensities of the target ion and the qualifier ion calculated through measurement on a target sample, and confirms an appropriateness of the target ion using a result of the calculation for identification or quantitative determination of the target compound, the data-processing system comprising:
a) a mode selection section for allowing a user to select one of a first mode, a second mode, and a third mode in order to determine an identification range of a qualifier ion ratio, the qualifier ion ratio being an intensity ratio between a signal intensity of the target ion and a signal intensity of the qualifier ion, the identification range being used to determine whether or not a peak on a mass spectrum supposed to be a peak of a target ion originating from target compound truly originates from the target compound, the first mode being a mode in which a tolerance of a qualifier ion ratio is determined in a form of an absolute value of the ratio, the second mode being a mode in which a tolerance of a qualifier ion ratio is determined in a form of a relative value of the ratio, and the third mode being a mode in which a tolerance of a qualifier ion ratio is selected from one of an identification range of a qualifier ion ratio determined in a form of an absolute value of the ratio and an identification range of a qualifier ion ratio determined in a form of a relative value of the ratio according to comparison between the identification ranges; and b) an identification range determination section configured to, when the third mode is selected, calculate a first identification range based on an absolute tolerance given as an absolute value of the ratio and a second identification range based on a relative tolerance given as a relative value of the ratio with respect to a standard qualifier ion ratio for a qualifier ion of interest, select one of the two identification ranges, the first and second identification ranges, according to comparison between the first and second identification ranges, and determine the selected identification range to be an identification range used to determine an actually measured qualifier ion ratio. |
