Data processing device for metabolite analysis

JP2024108874A5Pending Publication Date: 2025-11-18SHIMADZU SEISAKUSHO LTD
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Patent Information

Application Number
JP2023013492
Authority / Receiving Office
JP · JP
Patent Type
Applications
Current Assignee / Owner
Filing Date
2023-01-31
Publication Date
2025-11-18

AI Technical Summary

Technical Problem

Existing metabolite analysis systems face challenges in determining whether a metabolite is present in a test sample based on metabolic maps, as some metabolites can only be detected by GC/MS or LC/MS, and others cannot be detected by either, making it difficult to judge inclusion solely from the map.

Method used

A data processing device that stores metabolite measurement results alongside analyzer information, allowing for the display of analyzer type-specific frames on metabolic maps, enabling easy determination of metabolite presence based on analyzer compatibility.

Benefits of technology

Enables users to accurately assess the presence of metabolites in test samples by displaying analyzer-specific frames on metabolic maps, facilitating reliable detection and quantification of metabolites using appropriate analytical methods.

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Abstract

To easily determine whether or not a metabolite may be included in a test sample from a metabolism map.SOLUTION: A data processing device for metabolite analysis includes: a metabolite measurement result storage part (22) which stores a measurement result of a metabolite in association with the metabolite on the basis of the metabolite identified based on analytical data obtained by analyzing test samples with one or more analyzers (11, 12); a metabolism map data storage part (20) which stores metabolism map display data for displaying on a display screen a metabolism map being the metabolism map on which the multiple metabolites are written with the measurement results thereof and in which analyzer information expressing the type of the analyzer that can detect the metabolite is added to the written region of each metabolite; and a display processing part (27) which acquires the measurement result corresponding to each metabolite written on the metabolism map from the metabolite measurement result storage part when the given metabolite map is displayed on the display screen, and inserts the measurement result to the written region of the metabolite on the metabolism map for display.SELECTED DRAWING: Figure 1
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Description

[Technical field]

[0001] The present invention relates to a data processing device for metabolite analysis that creates a metabolic map based on analytical data of a test sample. [Background technology]

[0002] Metabolite analysis is performed using gas chromatography mass spectrometry (GC / MS) and liquid chromatography mass spectrometry (LC / MS) for the diagnosis and treatment of diseases accompanied by metabolic disorders, as well as for research and development of therapeutic drugs for such diseases. Metabolite analysis using GC / MS and LC / MS is also performed for pharmacological studies on the safety and toxicity of medicines, health foods, and drugs, as well as metabolome analysis of animals and plants.

[0003] In metabolite analysis, a chart called a metabolic map, which shows the metabolic pathways in the living body of humans and other organisms, is often used (Non-Patent Document 1). The metabolic map lists various compounds (metabolites) produced during the metabolic process, chemical reactions, enzymes involved in metabolism, and the like, making it possible to understand the metabolic flow at a glance. Such metabolic maps make it easy to know what metabolites are present in test samples such as urine collected from humans and other organisms.

[0004] For example, when it is desired to examine whether various metabolites included in a certain metabolic map are contained in a test sample, the metabolites contained in the test sample are analyzed using GC / MS and / or LC / MS. Then, the metabolites contained in the test sample are identified from the mass spectrum or mass chromatogram corresponding to the chromatogram peak obtained from the analysis results, and the quantitative value of the metabolite or a bar graph representing the quantitative value is inserted on the metabolic map as the measurement result of each metabolite. By repeating such an operation for all metabolites included in the metabolic map, a metabolic map reflecting the analysis results of the test sample using GC / MS and LC / MS is completed.

[0005] However, the task of creating a metabolic map from the analysis results of a test sample is complicated and places a large burden on the operator. Therefore, a data processing device for metabolite analysis has been provided that, when the analysis results of a test sample are input, automatically executes the tasks from analyzing the analysis results to creating a metabolic map. This device stores metabolic map display data for displaying the metabolic map on a display screen in a storage unit, and when the analysis of the analysis results of the test sample is completed, reads out the metabolic map display data from the storage unit, creates a metabolic map with the quantitative values ​​of metabolites inserted, and displays it on the display screen. [Prior art documents] [Non-patent literature]

[0006] [Non-Patent Document 1] Zenzaburo Tozuka, et al., "Multi omics by LC-MS / MS to search small molecule ligands of nuclear receptors to control transcription of pharmaceutical active proteins for drug discovery", Trends in Res, Vol 1(2), 2018, pp. 1-2 Summary of the Invention [Problem to be solved by the invention]

[0007] Among the metabolites listed on the metabolic map, some can be detected by both GC / MS and LC / MS, while others can only be detected by either GC / MS or LC / MS. In addition, some metabolites cannot be detected by either GC / MS or LC / MS. Therefore, even if there is a metabolite listed on the metabolic map with no measurement results inserted, that metabolite may actually be contained in the test sample. However, it was difficult to determine whether a metabolite could be contained in the test sample just by looking at the metabolic map.

[0008] The problem that the present invention aims to solve is to enable a data processing device for metabolite analysis, which creates a metabolic map reflecting the analysis results of a test sample, to easily determine from the metabolic map whether or not a certain metabolite may be contained in the test sample. [Means for solving the problem]

[0009] In order to solve the above problems, the present invention provides a data processing device for metabolite analysis, comprising: a metabolite measurement result storage unit that stores measurement results of metabolites identified based on analytical data obtained by analyzing a test sample with one or more analytical devices in association with the metabolites; a metabolic map data storage unit that stores metabolic map display data for one or more metabolic maps, the metabolic map being displayed on a display screen, the metabolic map being a metabolic map on which a plurality of metabolites are displayed together with their respective measurement results, and in which analytical device information indicating the type of analytical device capable of detecting the metabolite is added to the display area of ​​each metabolite; a display processing unit which, when reading out the metabolic map data stored in the metabolic map data storage unit and displaying a predetermined metabolic map on a display screen, acquires, for each metabolite listed in the metabolic map, a measurement result corresponding to that metabolite from the metabolite measurement result storage unit, and inserts and displays the measurement result in an area on the metabolic map where that metabolite is listed; It is equipped with the following. Effect of the Invention

[0010] According to the metabolite analysis data processing device of the present invention, when a metabolic map reflecting the analysis results of a test sample is displayed on a display screen, information indicating the type of an analytical device capable of detecting the metabolite is provided in the display area of ​​each metabolite included in the metabolic map, so that when there is a metabolite among the metabolites included in the metabolic map for which a measurement result has not been inserted, a user can easily determine whether or not the metabolite can be included in the test sample from the analytical device information provided in the display area of ​​the metabolite. Specifically, when the analytical device used to analyze the test sample is different from the analytical device capable of detecting the metabolite, it can be determined that the metabolite can be included in the test sample. [Brief description of the drawings]

[0011] [Figure 1] FIG. 1 is a block diagram of a metabolite analysis system using a metabolite analysis data processing device according to the present invention. [Diagram 2] 1 is a flowchart showing the procedure for creating a metabolic map. [Diagram 3] FIG. 13 is a diagram showing an example of a displayed metabolic map of a test sample before analysis. [Figure 4] FIG. 13 shows an example of a displayed metabolic map after analysis of a test sample. [Diagram 5] FIG. 13 shows a metabolic map after analysis of a test sample in which the names of metabolite derivatization products are displayed. DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS

[0012] Hereinafter, an embodiment of a metabolite analysis system using a metabolite analysis data processing device according to the present invention will be described with reference to the drawings.

[0013] 1 is an overall schematic diagram of a metabolite analysis system according to this embodiment. This metabolite analysis system includes, as analytical devices, a GC / MS11 consisting of a GC section 111 and an MS section 112, an LC / MS12 consisting of an LC section 121 and an MS section 122, and a control / processing personal computer (PC) 2 for controlling the operations of the GC / MS11 and LC / MS12 and for processing the analysis data collected by the GC / MS11 and LC / MS12.

[0014] An input unit 4 and a display unit 5 are connected to the control / processing PC 2 as a user interface. The control / processing PC 2 is a general-purpose personal computer equipped with dedicated control / processing software as application software, and by running this software on the PC, in addition to normal control and data processing of the GC / MS 11, characteristic control / processing as described below is performed. In other words, the control / processing PC 2 corresponds to the metabolite analysis data processing device according to the present invention.

[0015] The data processing device for metabolite analysis, realized by the control / processing PC 2, has as functional blocks a metabolic map data storage unit 20, a metabolite information storage unit 21, a test sample analysis result storage unit 22, a memory control unit 23, a data processing unit 24, an analysis control unit 25, a method creation processing unit 26, a display processing unit 27, an information registration unit 28, a metabolite selection unit 41 included in the input unit 4, and the display unit 5.

[0016] The metabolic map data storage unit 20 stores data constituting one or more (usually more than one) metabolic maps. The metabolite information storage unit 21 stores, for each metabolite, analysis conditions including data processing conditions, and analysis results such as retention index, mass spectrum, and characteristic ion information (mass-to-charge ratio of ions and intensity ratio of multiple ions) of known standard samples for metabolites that can be analyzed by either one or both of the GC / MS 11 and LC / MS 12. The analysis results (mass spectrum, retention index, etc.) of the standard samples included in the analysis-related information for each metabolite may be obtained by actually measuring the standard sample containing the metabolite using the GC / MS 11 and LC / MS 12 included in this system, or information published in existing academic papers may be used. A certain metabolite may be measured under different analysis conditions using the GC / MS 11 or LC / MS 12. Therefore, the analysis-related information associated with one metabolite may not be one, but may be multiple.

[0017] The test sample analysis result storage unit 22 stores, for each test sample, the analysis results such as retention index and mass spectrum obtained by analyzing a test sample, not a standard sample, but an unknown component, by GC / MS11 and LC / MS12, the analysis conditions when the analysis was performed, the analysis results of the standard sample (mass spectrum, retention index, etc.), and metabolites identified from the analysis results of the test sample and their measurement results. The test sample analysis result storage unit 22 corresponds to the metabolite measurement result storage unit of the present invention. Note that the storage units 20, 21, and 22 may be provided in different storage areas in one memory device (e.g., HDD, SSD, etc.), or may be provided in separate memory devices.

[0018] In this embodiment, the data constituting the metabolic map stored in the metabolic map data storage unit 20 (hereinafter referred to as metabolic map data) includes metabolic map display data for displaying the names of multiple metabolites constituting the metabolic map on the screen of the display unit 5 in a state in which the names are arranged along the metabolic pathway together with rectangular frames indicating areas in which the measurement results of each metabolite are inserted. The metabolic map display data includes analysis device information indicating the type of analysis device capable of detecting each metabolite. The analysis device information will be described later.

[0019] In this embodiment, the analysis-related information for each metabolite stored in the metabolite information storage unit 21 includes information on a derivatization reagent used in derivatization, which is one of the pretreatments in GC / MS11 and LC / MS12, a derivative of the metabolite formed by a reaction with the derivatization reagent, and its properties, etc.

[0020] Next, an example of an analytical procedure for identifying metabolites contained in a test sample using the metabolite analysis system configured as above will be described with reference to the flowchart of FIG.

[0021] First, the user (operator) instructs the input unit 4 to display a metabolic map in which a target metabolic pathway is described (step 1). In response to this instruction, the display processing unit 27 reads out corresponding metabolic map data from the metabolic map data storage unit 20 via the memory control unit 23, and displays the metabolic map on the screen of the display unit 5, while reading and acquiring analysis-related information corresponding to the metabolites listed in the metabolic map from the metabolite information storage unit 21 (step 2). When there are multiple metabolic maps, it is preferable to allow the user to select a desired metabolic map, for example, by metabolic map name.

[0022] On the metabolic map displayed on the screen of the display unit 5, the user instructs the metabolite selection unit 41 to select a metabolic pathway that is to be confirmed as being contained in the test sample (step 3). FIG. 3 shows an example of the display screen displayed at this time. On this pre-analysis display screen 51, a metabolic map (partial metabolic map) including the metabolic pathway selected by the metabolite selection unit 41 is displayed in the main area 511, and the entire metabolic map (full metabolic map) is displayed in the lower part of the sub-area 512 to the right of the metabolic map, and details of the analysis conditions are displayed in the upper part. The part enclosed by a rectangular frame in the full metabolic map displayed in the lower part of the sub-area 512 corresponds to the partial metabolic map displayed in the main area 511.

[0023] In the metabolic map displayed on the display screen, the names of metabolites included in the metabolic map as well as rectangular frames 61, which are areas into which the measurement results of the metabolites are inserted, are displayed along the metabolic pathway. As shown in Fig. 3, the metabolic map displayed on the pre-analysis display screen 51 is also called a "blank metabolic map" because the measurement results of each metabolite are not inserted in the rectangular frames 61 and the rectangular frames 61 are blank.

[0024] In this embodiment, a color indicating the type of analyzer is added to the rectangular frame 61 of each metabolite on the metabolic map displayed on the display screen as analyzer information indicating whether the analyzer capable of detecting the metabolite is GC / MS11 or LC / MS12. Specifically, the rectangular frame 61 of a metabolite that can only be detected by GC / MS11 is displayed in blue, the rectangular frame 61 of a metabolite that can only be detected by LC / MS12 is displayed in black, and the rectangular frame 61 of a metabolite that can be detected by both GC / MS11 and LC / MS12 is displayed in green. In FIG. 3, the rectangular frames are shown in blue, black, and green, respectively, using solid lines, dashed lines, and dashed lines.

[0025] When the partial metabolic map selected by the user is confirmed, the method creation processing unit 26 acquires analysis-related information corresponding to the metabolites included in the selected partial metabolic map, creates a method file including various analysis parameters and data processing parameters required for performing analysis by either GC / MS 11 or LC / MS 12, or both (step 4), and sends this to the analysis control unit 25. When the analysis control unit 25 receives an instruction to start analysis, it controls the GC / MS 11 and / or LC / MS 12 according to this method file, and performs analysis on the test sample (step 5).

[0026] The analytical data collected by the GC / MS 11 and / or LC / MS 12 is input to the data processing unit 24, which performs data processing based on the data processing conditions described in the method file. In this method file, the retention index, mass spectrum, characteristic ion information, etc. are determined for each metabolite, so by using these, the metabolite can be easily detected. For example, since the retention time can be estimated from the retention index, a retention time range that allows for a moderate time margin before and after the estimated retention time is set, and a peak that is thought to correspond to the target metabolite is extracted by narrowing down the retention time range on the chromatogram. Then, by comparing the patterns of the mass spectrum obtained by actual measurement near the peak with the mass spectrum of a standard sample and determining the similarity, it is possible to determine with high accuracy whether or not it is the target metabolite. In addition, the data processing unit 24 can calculate the quantitative value of the metabolite using the peak area on the mass chromatogram of the mass-to-charge ratio corresponding to the identified metabolite. By using a chromatogram in combination for identification as described above, detection is easier than detection of metabolites using only the peak pattern of the mass spectrum, and detection can be performed with high reliability.

[0027] When the data processing unit 24 sequentially identifies the metabolites contained in the test sample and determines the quantitative values, the analysis results are stored in the test sample analysis result storage unit 22 via the storage control unit 23 (step 6). At this time, for metabolites in which multiple derivatized products have been formed as a result of a derivatization process performed as a pre-processing before the analysis, the quantitative values ​​of these multiple derivatized products are stored in the test sample analysis result storage unit 22 in correspondence with the metabolites. The analysis results (mass spectrum, retention index, etc.) of the standard sample stored in the metabolite information storage unit 21 and the analysis conditions themselves may be saved for each test sample, or only the correspondence with the information stored in the metabolite information storage unit 21 may be recorded.

[0028] Thereafter, when the user instructs the input unit 4 to create a metabolic map (step 7), the display processing unit 27 reads out the metabolic map data from the metabolic map data storage unit 20 via the memory control unit 23, and also reads out the measurement results of the metabolites listed in the metabolic map from the test sample analysis result storage unit 22 as the analysis results of the test sample associated with the metabolic map, and specifies them on the metabolic map (step 8). FIG. 4 is a diagram showing an example of a display screen displayed at this time. In this post-analysis display screen 7, as in the pre-analysis display screen 5, a partial metabolic map is displayed in the main area 711, the entire metabolic map is displayed in the lower part of the sub-area 712, and details of the analysis conditions are displayed in the upper part. In the example shown in FIG. 4, a bar graph of the quantitative values ​​of metabolites contained in multiple test samples as the measurement results of the metabolites is inserted in the rectangular frame 61 of the metabolic map, and for metabolites that were not selected, "-" is displayed in the rectangular frame 61. For metabolites that were selected but not detected, the rectangular frame 61 is left blank.

[0029] By looking at such a post-analysis display screen 7, it is possible to judge whether or not a metabolite that was selected but not detected may be present in the test sample from the display color of the rectangular frame 61. That is, for example, when the apparatus used to analyze the test sample is the LC / MS12, if the rectangular frame 61 of a metabolite whose display color is blue (i.e., a metabolite that can be detected only by the GC / MS12) is blank, it can be judged that the metabolite may be detected by changing the analytical apparatus to the GC / MS11. Also, for example, when the apparatus used to analyze the test sample is the LC / MS12, if the rectangular frame 61 of a metabolite whose display color is green (i.e., a metabolite that can be detected by both the GC / MS11 and the LC / MS12) is blank, it can be judged that the metabolite was not detected by the LC / MS12 but may be detected by the GC / MS11.

[0030] Furthermore, in this embodiment, for metabolites for which quantitative values ​​of multiple derivatized products are stored in the test sample analysis result storage unit 22, the memory control unit 23 reads out the measurement results of the derivatized products that satisfy a predetermined condition from the test sample analysis result storage unit 22 and specifies them on the metabolic map. Here, the predetermined conditions include a derivatized product that has a better detection sensitivity than other derivatized products, a derivatized product that has a better detection reproducibility, a derivatized product that has a better stability against heat and drugs, and the like. For example, when detecting inositol phosphate as a metabolite, a trimethylsilyl (TMS) conversion process is performed as a pretreatment of the test sample, and the quantitative value of the derivatized product (Inositol phosphate-7TMS) formed thereby is read out from the test sample analysis result storage unit 22 as the measurement result of inositol phosphate. Note that, when the measurement result posted in the rectangular frame 61 of the metabolic map is the quantitative value of the derivatized product, a pop-up window 73 in which the name of the derivatized product is described is displayed by specifying the rectangular frame 61 on the post-analysis display screen 7, as shown in FIG. 5, for example. Therefore, the user can check by looking at the pop-up window 73 that the measurement result inserted in the rectangular frame 61 is the measurement result of which derivative of the metabolite.

[0031] Although the metabolite analysis system of the above embodiment includes one each of GC / MS 11 and LC / MS 12 as the analytical devices, it may include a plurality of devices of the same or different types for at least one of the GC / MS 11 and LC / MS 12. For example, by using a plurality of GC / MS in combination, it is possible to connect different types of columns to each GC / MS and perform simultaneous parallel analysis under different analysis conditions, which contributes to shortening the analysis time.

[0032] Furthermore, in the metabolite analysis system of the above embodiment, the rectangular frame into which the measurement results of each metabolite on the metabolic map are inserted is configured to be displayed in a color corresponding to the type of analytical device capable of detecting that metabolite, but the interior of the rectangular frame or the name of the metabolite may be displayed in a color corresponding to the type of analytical device capable of detecting the metabolite, or a sign indicating the type of analytical device may be displayed near the rectangular frame or the name of the metabolite.

[0033] [Aspects] It will be apparent to those skilled in the art that the above-described exemplary embodiments are illustrative of the following aspects.

[0034] (Item 1) A data processing device for metabolite analysis according to one aspect of the present invention comprises: a metabolite measurement result storage unit that stores measurement results of metabolites identified based on analytical data obtained by analyzing a test sample with one or more analytical devices in association with the metabolites; a metabolic map data storage unit that stores metabolic map display data for one or more metabolic maps, the metabolic map being displayed on a display screen, the metabolic map being a metabolic map on which a plurality of metabolites are displayed together with their respective measurement results, and in which analytical device information indicating the type of analytical device capable of detecting the metabolite is added to the display area of ​​each metabolite; a display processing unit which, when reading out the metabolic map data stored in the metabolic map data storage unit and displaying a predetermined metabolic map on a display screen, acquires, for each metabolite listed in the metabolic map, a measurement result corresponding to that metabolite from the metabolite measurement result storage unit, and inserts and displays the measurement result in an area on the metabolic map where that metabolite is listed; It is equipped with the following.

[0035] According to the data processing device for metabolite analysis of paragraph 1, when a metabolic map reflecting the analysis results of a test sample is displayed on a display screen, information indicating the type of an analytical device capable of detecting the metabolite is provided in the display area of ​​each metabolite included in the metabolic map, so that when there is a metabolite for which no measurement result is inserted among the metabolites included in the metabolic map, a user can easily determine whether or not the metabolite can be included in the test sample from the analytical device information provided in the display area of ​​the metabolite. Specifically, when the analytical device used to analyze the test sample is different from the analytical device capable of detecting the metabolite, it can be determined that the metabolite can be included in the test sample.

[0036] (Item 2) Generally, an analytical device used for metabolite analysis is a gas chromatograph mass spectrometer or a liquid chromatograph mass spectrometer. Therefore, the metabolite analysis data processing device according to item 2 is the metabolite analysis data processing device according to item 1, in which the analytical device is a gas chromatograph mass spectrometer or a liquid chromatograph mass spectrometer.

[0037] According to the data processing device for metabolite analysis relating to paragraph 2, it is possible to create metabolic maps that are useful for various metabolite analyses aimed at the diagnosis and treatment of diseases accompanied by metabolic abnormalities, or the research and development of therapeutic drugs for such diseases, the pharmacological investigation of the safety and toxicity of medicines, health foods, drugs, etc., and the metabolomic analysis of animals and plants.

[0038] (Clause 3) The data processing device for metabolite analysis according to clause 3 may be such that, in the data processing device for metabolite analysis according to clause 1 or 2, the analytical device information added to the display area of ​​each metabolite in the metabolic map is color information for displaying at least a portion of the display area in a color corresponding to the type of analytical device.

[0039] According to the metabolite analysis data processing device of the third aspect, by looking at the color of at least a part of the region of the metabolic map in which each metabolite is displayed, it is possible to know the type of analysis device capable of detecting that metabolite.

[0040] (4) The metabolite analysis data processing device according to the fourth aspect of the present invention is a metabolite analysis data processing device according to any one of the first to third aspects of the present invention, the metabolite measurement result storage unit stores, for metabolites that are subjected to a predetermined derivatization process before the test sample is analyzed by the analysis device, measurement results of derivatized products formed by the derivatization process in association with the metabolites; When the display processing unit reads out the metabolic map data stored in the metabolic map data storage unit and displays the metabolic map on the display screen, it can obtain the measurement results of derivatized products of metabolites listed on the metabolic map from the metabolite measurement result storage unit, and insert the measurement results into the area on the metabolic map where the metabolite is listed for display.

[0041] (5) The metabolite analysis data processing device according to 5 is the metabolite analysis data processing device according to 4, When the measurement results of a plurality of derivatized products are stored in the metabolite measurement result storage unit in association with the metabolites, The display processing unit can obtain measurement results of derivatized products that satisfy predetermined conditions from among the plurality of derivatized products from the metabolite measurement result memory unit, and insert the measurement results into the area where the metabolite is displayed on the metabolic map to display them.

[0042] (Item 6) The data processing device for metabolite analysis according to item 6 comprises: a metabolite measurement result storage unit that stores measurement results of a plurality of derivatized products of metabolites identified based on analytical data obtained by analyzing a test sample with one or a plurality of analytical devices in association with the metabolites; a metabolic map data storage unit that stores metabolic map display data for displaying a metabolic map on a display screen, the metabolic map display data being used to display a metabolic map showing a plurality of metabolites, for one or more metabolic maps; a display processing unit which, when reading out the metabolic map data stored in the metabolic map data storage unit and displaying the metabolic map on a display screen, obtains, for a metabolite listed in the metabolic map, from the metabolite measurement result storage unit, measurement results of derivatized products that satisfy a predetermined condition among a plurality of derivatized products of the metabolite, and inserts and displays the measurement results on the metabolic map; It is equipped with the following.

[0043] According to the data processing device for metabolite analysis according to items 4 to 6, If the test sample contains metabolites that are subjected to a specified derivatization process before being analyzed by an analytical device, the measurement results of the derivatized products formed by the derivatization process can be displayed on a metabolic map as the measurement results of the metabolites.

[0044] In this case, in the data processing device for metabolite analysis according to paragraph 5 or 6, for a metabolite in which multiple derivatization products are formed, the measurement results of a derivatization product that satisfies a predetermined condition from among the multiple derivatization products are displayed on the metabolic map as the measurement result of the metabolite. Here, the predetermined conditions include superior detection sensitivity compared to other derivatization products, superior reproducibility of detection, superior stability against heat and drugs, etc. By using the measurement results of a derivatization product that satisfies such conditions, a metabolic map with excellent reliability can be obtained. [Explanation of symbols]

[0045] 11…GC / MS 111…GC Department 112...MS Department 12…LC / MS 121...LC section 122…MS Department 2…Control and processing PC 20...Metabolic map data storage unit 21...Metabolite information storage unit 22... Test sample analysis result storage unit 23...Memory control unit 24...Data processing unit 25...Analysis control section 26...Method creation processing section 27...Display processing unit 28…Information Registration Department 4. Input section 41...Metabolite selection section 5...Display section 6…Pre-analysis display screen 7…Post-analysis display screen

Claims

1. a metabolite measurement result storage unit that stores measurement results of metabolites identified based on analytical data obtained by analyzing a test sample using one or more analytical devices, in association with the metabolites; a metabolic map data storage unit that stores metabolic map display data for one or more metabolic maps, the metabolic map being a metabolic map on a display screen in which a plurality of metabolites are listed together with their respective measurement results, and in which analytical device information indicating the type of analytical device capable of detecting the metabolite is added to the listing area of ​​each metabolite; a display processing unit that, when reading out metabolic map display data stored in the metabolic map data storage unit and displaying a predetermined metabolic map on a display screen, acquires measurement results corresponding to each metabolite listed in the metabolic map from the metabolite measurement result storage unit, and inserts and displays the measurement results in the listing area of ​​the metabolite on the metabolic map; A data processing device for metabolite analysis comprising:

2. 2. The data processing device for metabolite analysis according to claim 1, A data processing device for metabolite analysis, wherein the analytical device is a gas chromatograph mass spectrometer and a liquid chromatograph mass spectrometer.

3. 2. The data processing device for metabolite analysis according to claim 1, A data processing device for metabolite analysis, wherein the analytical device information added to the display area of ​​each metabolite of the metabolic map is color information for displaying at least a portion of the display area in a color corresponding to the type of analytical device.

4. 3. The data processing device for metabolite analysis according to claim 2, the metabolite measurement result storage unit stores, for metabolites that are subjected to a predetermined derivatization treatment before the test sample is analyzed by the analysis device, measurement results of derivatized products formed by the derivatization treatment in association with the metabolites; A data processing device for metabolite analysis, in which, when the display processing unit reads out metabolic map display data stored in the metabolic map data storage unit and displays the metabolic map on the display screen, the display processing unit obtains measurement results of derivatized metabolites listed on the metabolic map from the metabolite measurement result storage unit, and inserts and displays the measurement results in the area where the metabolite is listed on the metabolic map.

5. 5. The data processing device for metabolite analysis according to claim 4, When the measurement results of a plurality of derivatized substances are stored in the metabolite measurement result storage unit in association with the metabolites, The display processing unit obtains measurement results of derivatized products that satisfy predetermined conditions from the plurality of derivatized products from the metabolite measurement result storage unit, and displays the measurement results by inserting them into the area where the metabolite is displayed on the metabolic map.

6. a metabolite measurement result storage unit that stores measurement results of a plurality of derivatized metabolites associated with the identified metabolites based on analytical data obtained by analyzing a test sample using one or more analytical devices; a metabolic map data storage unit that stores metabolic map display data for displaying a metabolic map on a display screen, the metabolic map display data being used to display a metabolic map showing a plurality of metabolites, for one or more metabolic maps; a display processing unit that, when reading out metabolic map display data stored in the metabolic map data storage unit and displaying the metabolic map on a display screen, acquires, for a metabolite included in the metabolic map, measurement results of derivatized products that satisfy predetermined conditions from among a plurality of derivatized products of the metabolites from the metabolite measurement result storage unit, and inserts and displays the measurement results on the metabolic map; A data processing device for metabolite analysis comprising: