Chromatograph mass analysis data processing apparatus

Abstract

A chromatograph mass analysis data processing apparatus is provided for obtaining pertinent information, with a simple operation, on a compound series including a plurality of compounds whose structures and characters are similar. Based on the data obtained by a chromatograph mass analysis, a two-dimensional isointensity line graph is created and displayed with a retention time and a mass-to-charge ratio on the two axes and with a signal intensity represented with a contour (S1). When the operator specifies a desired range by a drag operation or the like through a mouse (S2), the data contained in the range specified are collected (S3), the signal intensities along the mass-to-charge ratio axis direction are summed up for every retention time to create a summed mass chromatogram based on the summed value (S4 and S5). Simultaneously, the signal intensities along the retention time axis direction are summed up for every mass-to-charge ratio to create a summed mass spectrum based on the summed value (S6 and S7). These are then displayed on the same screen of the isointensity line graph (S8).

Description

BACKGROUND OF THE INVENTION[0001]The present invention relates to a chromatograph mass analysis data processing apparatus for processing data collected by a chromatograph mass spectrometer such as a gas chromatograph mass spectrometer (GC / MS) and a liquid chromatograph mass spectrometer (LC / MS).[0002]In chromatograph mass spectrometers such as a GC / MS and LC / MS, data having three dimensions, i.e. a retention time, mass-to-charge ratio, and signal intensity, is collected. The data collected is processed to create a mass chromatogram, mass spectrum, and total ion chromatogram. The mass chromatogram shows the relationship between the retention time and the signal intensity for a specified mass-to-charge ratio, the mass spectrum shows the relationship between the mass-to-charge ratio and the signal intensity for a specified retention time, and the total ion chromatogram shows the relationship between the retention time and the signal intensity without the limitation of mass-to-charge ra...

AI Technical Summary

Benefits of technology

[0020]With the chromatograph mass analysis data processing apparatus according to the present invention, if the user specifies an appropriate range in a graph to select one compound series in which a mass-to-charge ratio and a retention time show a specified relationship, a summed mass chromatogram and summed mass spectrum in which a plurality of compounds included in this compound series appear are displayed on the display screen. Therefore, it is possible to obtain the pertinent information on a compound series with a very simple operation and manipulation. By using this, a qualitative analysis and a quantitative analysis can be effectively performed as well.

Problems solved by technology

Although a retention time and a mass-to-charge ratio often have a specific relationship in such compound series, conventional apparatus are not intended for selecting plural components included in a compound series, obtaining its information, and performing the data analysis.

Performing this analysis requires complicated operations; hence, obtaining improvement of the working efficiency is difficult.

Images