Shimadzu Corporation

Yutaro Yamamura

Tomohiro Kawase

Tohru Shiohama

Yuji Katsuyama

Toshikazu Minohata

Kengo Maeda

Tomoomi Hoshi

A degree of similarity in the peak pattern between a mass spectrum obtained for an unknown target substance in a sample and a mass spectrum of a known specific substance is calculated (S). If the degree of similarity is within a range of 80-60% ('No' in S), the ratio between the signal intensities at two mass-to-charge ratios characteristic of the specific substance is calculated and compared with a reference value (Sand S). If the intensity ratio exceeds the reference value, the target substance is likely to be the specific substance. Therefore, as in the case where the degree of similarity is equal to or higher than 80%, it is concluded that the specific substance is contained in the sample (S). In advance of such a judgment, whether or not the sample has been certainly subjected to the mass spectrometric analysis is determined from a graph of the total ion current signal created from data collected by performing a measurement from a point in time before the sample is placed at a measurement position (Sand S). If no significant peak is present in the graph, it is concluded that a sample introduction error has occurred (S). By such a method, a higher level of qualitative determination accuracy can be achieved than in a conventional qualitative analysis using only the degree of similarity.

Mass spectrometric data processing device for qualitative analysis

Sequential identification numbers are automatically provided and undisplayed, constant, unique numbers are assigned to each event registered in an analysis condition setting table. Since correspondence information between the identification numbers and the unique numbers changes due to the reassignment of identification numbers when an event is deleted from the table, event identification numbers for each compound are changed by referring to the correspondence information on a compound information table. As a result, it is possible to avoid the misalignment of event identification numbers between both tables. In addition, when an instruction is given to coordinate the time information or m/z information on both tables, the information on one table is reflected on the other table in accordance with the identification numbers.

Chromatograph mass spectrometer

A mass spectrometry data processor () having a database () for storing respective pieces of mass spectrum data of various compounds together with names and mass spectrometry conditions of the compounds includes a mass spectrum data receiver () configured to receive input of mass spectrum data associated with a compound name and a mass spectrometry condition, a determination unit () configured to determine whether the mass spectrum data includes a mass peak satisfying a predetermined criterion, and a database registration unit () that registers, on the database, mass spectrum data determined to include the mass peak satisfying the predetermined criterion or mass spectrum data based on the mass spectrum data determined to include the mass peak satisfying the predetermined criterion together with a compound name and a mass spectrometry condition.

Mass spectrometry data processor, mass spectrometry data processing method, and mass spectrometry data processing program

A mass analysis device capable of reliably detecting the peak in a mass chromatogram of a given m/z is equipped with a control unit, which generates a mass chromatogram and total ion chromatogram. The control unit includes a determination unit which, using the total ion chromatogram, determines the start time and end time of the peak in the total ion chromatogram by searching for the peak based on maximum value of detected intensity and searching for peak start time and end time based on slope of change of detected intensity; and a detection unit, which detects the peak in the mass chromatogram by making the start time and end time of the peak in the mass chromatogram the same as the start time and end time of the peak in the total ion chromatogram.

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Kyoto, Japan

Yutaro Yamamura