Mass spectrometric data processing device for qualitative analysis

Abstract

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.