Shimadzu Corporation

Tetsuya Kageyama

Yoshikatsu Umemura

Hiroyuki Yasuda

Nonuse-indication information can be set for each peak on a mass spectrum collected in a compound database, as attribute information, the nonuse-indication information allowing the selection of whether to be used in a database search. For example, nonuse-indication information is set in advance to a noise peak mixed in actual measurement, an impurity-originated peak, and the like. In identifying a compound, when nonuse-indication information is read from the database for a database search together with a mass spectrum, an unnecessary information deleting section transmits a mass spectrum from which a peak set with the nonuse-indication information is deleted, to a compound candidate extracting section and a scoring section. Therefore, a peak set with the nonuse-indication information is ignored in, for example, calculating the score of a compound candidate, which allows a score with a high accuracy to be calculated, resulting in an improved identification accuracy.

Mass-spectrometry-data processing system

A mass spectrometry data processing apparatus having a function of displaying a plurality of MSspectra in an arranged manner is allowed to display these MSspectra in a state where a user can easily grasp presence or absence of a common neutral loss. A mass spectrometry data processing apparatusthat displays, on a display screen, an MSspectrum resulting from mass spectrometric analysis of n&#x2212;1 stage dissociation, where n is integer of two or more, of an ion, includes: a precursor ion identifying sectionconfigured to identify, for each of a plurality of MSspectra, a mass-to-charge ratios m/z of a precursor ion from which the MSspectra are obtained; and a spectrum aligning sectionconfigure to display the MSspectra on the display screen in a vertically arranged manner such that positions of the mass-to-charge ratios m/z of the respective precursor ions are located at a same horizontal position of the display screen.

Mass spectrometry data processing apparatus

If multiple polyvalent ion peak candidates with different valences surmised to be derived from the target compound have been obtained, a mass chromatogram in the vicinity of the retention time of the target compound at the mass-charge ratio m/z of each polyvalent ion peak candidate is generated, and these are overlaid and displayed on the display screen. If the polyvalent ions are derived from the same compound, peaks of similar shape having a peak top near the retention time should appear in multiple mass chromatograms. Therefore, the user can check the displayed mass chromatograms and easily determine whether they reflect a combination of polyvalent ions derived from the target compound (a) or not (b).

Chromatograph/mass spectrometer data processing device

In a liquid chromatograph mass spectrometer (LC/MS), three kinds of graphic data (or graphs) composed of an LC chromatogram, an MS chromatogram, and an MS spectrum should be mutually compared to perform a specific analysis. Conventionally, a plurality of graphs are arranged for comparison on one monitor in accordance with a user's purpose. However, when an operation is once terminated and then the graphs are displayed again or in other processes, their display formats are not reproduced. Hence, the user needs to manually set the desired layout every time, which is cumbersome. The data analysis system according to the present invention has been developed to solve this problem. The data analysis system has a layout memory for storing layout information including a plurality of kinds of graphs to be displayed on the monitor and the display position of each graph, and refers to the layout information when displaying the graphs.

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Ibaraki, Japan

Tetsuya Kageyama