JP5561016B2 - Chromatograph mass spectrometer - Google Patents

Description

  The present invention relates to a chromatograph mass spectrometer using a mass spectrometer as a detector for a gas chromatograph (GC) or a liquid chromatograph (LC), and more specifically, an analysis method for obtaining analysis data in a chromatograph mass spectrometer. The present invention relates to a control device that controls an operation of an analysis when performing an analysis process on the operation or acquired analysis data.

  In recent years, a chromatographic mass spectrometer that combines a gas chromatograph (GC), a liquid chromatograph (LC), and a mass spectrometer (MS) has been effective in analyzing a complex sample containing various components. In chromatographic mass spectrometry, the compound to be measured may not be known at all. However, if parameters such as the retention time and mass-to-charge ratio (m / z) of the compound to be measured are known, the accuracy of analysis and data analysis Will improve. For example, when performing analysis on a sample, if the retention time and mass-to-charge ratio of the target compound are known, the data is focused on ions having the target mass-to-charge ratio near the time when the compound elutes from the chromatograph. And ions derived from the target compound can be detected with high sensitivity. On the other hand, when analyzing data collected by analysis and performing qualitative or quantitative analysis, if the retention time and mass-to-charge ratio of the target compound are known, the chromatogram (extracted ion chromatogram) for that mass-to-charge ratio is known. , Peak detection can be performed only in the vicinity of the retention time to find a peak derived from the target compound, and a highly reliable analysis result can be obtained.

  When the retention time and mass-to-charge ratio of the compound to be measured are known at the time of analysis as described above, or when the time range and mass-to-charge ratio of the object to be measured can be narrowed down even if the compound itself is unknown, Usually, a SIM (Selected Ion Monitoring) measurement mode is used as a measurement mode of the mass spectrometer. For example, in the chromatograph mass spectrometer described in Patent Document 1, when performing SIM measurement, a SIM measurement condition table for describing the measurement time range and the mass-to-charge ratio of the measurement object in association with each other is displayed on the display screen. The analyst inputs in advance the time range to be measured and the mass-to-charge ratio. On the other hand, when performing data analysis on the target compound, a compound information table for describing information such as retention time and mass-to-charge ratio in association with each compound is displayed on the display screen. An analysis target compound name and compound information are input in advance (see FIG. 3 of Patent Document 1).

  The analysis work to collect data on the sample and the data analysis work to perform analysis processing on the collected data are basically separate work, and the analyst can make independent analysis parameters and data analysis parameters. Must be set to However, in practice, when mass spectrometry data is collected for a certain sample using a known compound as a measurement target, and the collected data is analyzed, the analysis parameters and the analysis parameters are set. There are many cases where you want to be the same. In the case where the parameters are set on separate tables, the SIM measurement condition table and the compound information table as described above, the same parameters on the two tables can be used when the same parameters are used for analysis and data analysis. It is necessary to perform the input operation, and is troublesome and time-consuming.

  In order to reduce such time and effort, the apparatus described in Patent Document 1 has a function of automatically creating a SIM condition setting table from a compound information table. According to this, the analysis parameter and the analysis parameter initially coincide with each other. However, for example, when an analyst changes a parameter on the SIM measurement condition table, for example, the analysis parameter on the compound information table does not reflect such change, so the analyst Need to make the same change on the compound information table, which is troublesome. Also, if you forget such work, the analyst will misunderstand that the analysis parameters do not match the analysis parameters, and the analyst will misunderstand that they will match, leading to inappropriate results There is a fear.

JP 2003-172726 A

  The present invention has been made in view of the above problems. In the chromatograph mass spectrometer, the analysis parameters such as the retention time and the mass-to-charge ratio, which are necessary for analysis and data analysis, are set when the analysis conditions are set and the data analysis conditions. The value can be set and changed independently at the time of setting, and if necessary, the analysis parameter and the analysis parameter can be made common by a simple operation, that is, one to the other. The purpose is to be able to match.

The present invention made to solve the above problems includes a chromatographic unit that temporally separates various components in a sample, a mass analyzing unit that performs mass analysis on components separated by the chromatographic unit, A data processing unit that performs analysis processing on the data collected by the mass analysis unit, and a control that operates the mass analysis unit in a measurement mode that selectively mass analyzes ions having a specific mass-to-charge ratio in a specific time range. A chromatograph mass spectrometer equipped with a portion,
a) In the measurement mode, one or more events are described in a table format with one measurement time range, one or more measurement target mass-to-charge ratios within the time range, and an event including an identification number as information. A first table for setting analysis conditions,
For each compound to be analyzed by the data processing unit, a retention time, a mass-to-charge ratio, and the identification number for designating an event used at the time of analysis, a second table for setting analysis conditions, which is described in a table format; ,
Display control means for displaying on the screen of the display unit simultaneously or separately;
b) an identification number management means for generating the identification number so as to be a serial number in the table for each event registered in the first table, and inserting the identification number in the identification number description column in the first table;
c) cooperation instruction means for an analyst to instruct at least that the mass to charge ratio on the first table and the mass to charge ratio on the second table are linked;
When the linkage is indicated by d) the coordination instruction means, associated with the event on the first table and the compound of the second table using the identification number, at least, mass-charge ratio of the first table a cooperative control unit for changing the mass to charge ratio of the second table in accordance with,
It is characterized by having.

  The “measurement mode for selectively mass-analyzing ions having a specific mass-to-charge ratio in a specific time range” is typically a SIM measurement mode, but the mass analyzer is a triple quadrupole mass spectrometer. In the case of an MS / MS type configuration as in the total, an MRM (Multiple Reaction Monitoring) measurement mode may be used.

  The analyst inputs and sets the analysis conditions, that is, the parameters at the time of analysis with the first table displayed on the display screen, and the analysis conditions, that is, at the time of data analysis, with the second table displayed on the display screen. Input and set the parameters. The first table includes an event including information on the measurement time range and the mass-to-charge ratio to be measured within the time range, and an identification number description column indicating an identification number corresponding to the event. This identification number is analyzed. The identification number management means automatically assigns the identification number for the event registered in the first table so that it is always a serial number. On the other hand, the second table also has a description column indicating an identification number corresponding to each compound, but in this column, an event that the analyst wants to use when analyzing the compound may be manually entered.

For example, when it is desired to set the measurement time range of each event on the first table so as to correspond to the retention time of each compound on the second table, the analyst sets the holding time on the second table and the first table on the first table. The cooperation instruction means instructs to link the measurement time range. At this time, the cooperation control means associates the event on the first table with the compound on the second table using the identification number, and the compound (with the same identification number assigned to the measurement time range of a certain event) The measurement time range may be appropriately changed so as to include a holding time of (not necessarily one). As a result , even if the measurement time range is not properly input and set when registering the event, the measurement time range of the event is set according to the retention time of the compound from the side of the compound to be analyzed using the event. It can be set automatically.

  According to the chromatograph mass spectrometer according to the present invention, the analysis parameter and the data analysis parameter can be set independently, and the retention time of the compound can be set as an event at an arbitrary timing when the analyst needs it. The measurement time range can be reflected, or conversely, the mass-to-charge ratio of the event can be reflected in the mass-to-charge ratio of the compound. In addition, the operation when linking the analysis parameters and the data analysis parameters in this way is very simple, and the burden on the analyst is significantly greater than when changing the analysis and data analysis parameters. It is possible to reduce work errors such as erroneous input. Of course, if it is not necessary to link the analysis parameter and the data analysis parameter, it is possible to select not to link them.

Moreover, as one embodiment of the chromatograph mass spectrometer according to the present invention, the cooperation control means, when instructed to link the measurement time range on the first table and the holding time on the second table, A time range in which a predetermined time width is set on the basis of the holding time set for each compound on the second table may be determined, and this may be set as a measurement time range for each event on the first table.

  Note that the predetermined time width may be set in advance by the manufacturer at the time of shipment of the apparatus, or may be set by the user later. In any case, if the time width is set appropriately considering the variation in elution time due to variations in separation conditions (eg, linear velocity of mobile phase) in the chromatograph section, the target compound The measurement time range can be automatically determined so as to be reliably detected.

  Further, as a more preferable aspect of the chromatograph mass spectrometer according to the present invention, the identification number management means assigns a unique number that is not displayed and does not change when an event is newly registered in the first table, When the identification number for an event on one table changes, the identification number for the compound on the second table may be updated based on the unique number associated with the event.

  As described above, the identification numbers are assigned so that they are always serial numbers on the first table. For example, if a part of registered events is deleted, the identification numbers of the remaining events may be reassigned. There is. Therefore, the correspondence between the event and the identification number is one-to-one, but it is not unchanged. On the other hand, a unique number does not change once assigned to an event, and an event for a certain unique number is uniquely determined. Therefore, the unique number that is not displayed (not appearing on the display screen) is mediated to associate the event on the first table with the compound on the second table, and manage the relationship between the unique number and the identification number. Thus, when the identification number of a certain event changes due to reassignment, the identification number of the compound corresponding to the unique number of the event can be quickly and reliably changed in accordance with the change. Thereby, the display correspondence between the event identification number on the first table and the compound identification number on the second table can always be maintained.

The schematic block diagram of the LC-MS system which is one Example of this invention. Schematic which shows an example of the analysis condition setting table in the LC-MS system of a present Example. Schematic which shows an example of the compound information table for the data analysis in the LC-MS system of a present Example. Schematic for demonstrating the relationship between the identification number and a specific number in an analysis condition setting table and a compound information table. Schematic for demonstrating the change of the content of this table and compound information table with respect to editing operation on an analysis condition setting table. Schematic which shows the change of the table content at the time of performing time cooperation in an analysis condition setting table and a compound information table. Schematic which shows the change of the table content at the time of performing mass-to-charge ratio cooperation in an analysis condition setting table and a compound information table.

  An LC-MS system which is an example of chromatographic mass spectrometry according to the present invention will be described below with reference to the accompanying drawings. FIG. 1 is a schematic configuration diagram of an LC-MS system according to the present embodiment.

  This system includes a liquid chromatograph (LC) 1 that temporally separates various components contained in a liquid sample, and a mass spectrometer that separates and detects each separated component according to the mass-to-charge ratio m / z ( MS) 2 and a personal computer (PC) 3 that processes data collected by MS 2 and controls the operation of MS 2. An input unit 7 and a display unit 8 which are pointing devices such as a keyboard and a mouse are connected to the PC 3. Dedicated data processing / control software is installed in the PC 3, and by executing this software on the PC 3, functional blocks such as the data processing unit 4, the control unit 5, and the storage unit 6 are realized. . The control unit 5 includes an analysis / analysis information management unit 51 that executes a control operation characteristic of the present invention, which will be described later. The storage unit 6 has storage areas such as a measurement data storage area 61, a compound information storage area 62, and an analysis information storage area 63 as areas for storing various data for one sample collectively.

  The MS2 in the system of this embodiment is a quadrupole mass spectrometer using a quadrupole mass filter as a mass analyzer, but can perform mass analysis on ions having one or more specified mass-to-charge ratios. Any mass spectrometer can be used as long as it is a mass spectrometer.

The basic operation when the LC / MS analysis of the target sample is executed in the LC-MS system of the present embodiment is as follows.
When the target sample is introduced into LC1 under the control of the control unit 5, various components (compounds) contained in the target sample are separated while passing through LC1, and are eluted from LC1 with a time difference and introduced into MS2. Is done. In MS2, which is a quadrupole mass spectrometer, SIM measurement that performs only mass analysis for ions having one or more specific mass-to-charge ratios, or while performing mass scanning over a predetermined mass-to-charge ratio range, It is possible to selectively and repeatedly perform scan measurement for performing mass spectrometry for all ions.

  When the type of compound contained in the target sample is known or when the compound to be measured in the target sample is predetermined, it is appropriate to perform SIM measurement with the mass-to-charge ratio of the compound to be measured set It is. In this case, when the compound to be measured is eluted from LC1 and introduced into MS2, ions derived from the compound selectively pass through the quadrupole mass filter and reach the detector. Thereby, detection data having an intensity corresponding to the content of the compound is output from the MS 2, taken into the PC 3, and stored in the measurement data storage area 61.

  When the compound contained in the target sample is unknown or when it is desired to comprehensively examine the compound without focusing on a specific compound, the MS 2 performs scan measurement instead of SIM measurement. In the scan measurement, detection data is output from the MS 2 when there is an ion having a corresponding mass-to-charge ratio in the process of repeating mass scanning. Since the data processor 4 can create a mass spectrum over the mass-to-charge ratio range in response to one mass scan, the mass spectrum is repeatedly obtained with the passage of time, and the data constituting this mass spectrum. Is stored in the measurement data storage area 61.

  When data for a certain target sample is collected as described above and it is desired to quantify a certain compound in the sample, when the analyst gives a predetermined instruction from the input unit 7, the data processing unit 4 Reads out data indicating the temporal change in the signal intensity in the mass-to-charge ratio with respect to the target compound from the measurement data storage area 61 and creates an extracted ion chromatogram (mass chromatogram). Then, in the chromatogram, a peak is detected in the vicinity of the retention time of the target compound, for example, the peak area is calculated, and the quantitative value is calculated from the area value.

  In the LC-MS system of the present embodiment, when LC / MS analysis is performed on a certain sample as described above and data is collected, for example, in the case of SIM measurement, the measurement time range, mass-to-charge ratio, etc. In the case of scanning measurement, conditions such as a measurement time range, a mass-to-charge ratio range, and a scanning speed (or one scanning time, the number of scanning repetitions within a unit time, etc.) are set prior to analysis. There is a need. In addition, when performing data analysis such as quantification or qualitative analysis using data obtained by analysis as described above, compound information such as retention time and mass-to-charge ratio regarding the analysis target compound is set prior to data analysis. It is necessary to keep it. In the LC-MS system of the present embodiment, an analysis condition setting table is prepared for the analyst to set analysis conditions, and a compound information table is set for setting the compound information. When each predetermined operation is performed, the analysis / analysis information management unit 51 displays the analysis condition setting table and the compound information table on the screen of the display unit 8. Both tables may be displayed on the screen at the same time, but they may be displayed on different screens instead of simultaneously.

  FIG. 2 is a view showing an example of an analysis condition setting table stored in the analysis information storage area 63, and FIG. 3 is a view showing an example of a compound information table stored in the compound information storage area 62. In the analysis condition setting table 100, analysis conditions are set in units of events. FIG. 2 shows events for SIM measurement. For each event, a measurement time range, a mass-to-charge ratio to be measured, and the like are set. Here, two events (event 1 and event 2) are registered in the analysis condition setting table 100, but more events can be registered. In addition to events for SIM measurement, events for scan measurement can also be mixed in the analysis condition setting table 100.

  In each event, the columns for the measurement time range and mass-to-charge ratio are fields in which the analyst can arbitrarily input or change numerical values using the input unit 7, but the identification number description field is manually input. Is a column in which a serial number identification number automatically assigned by the analysis / analysis information management unit 5 in response to an editing operation such as new registration or deletion of an event is set. is there. In FIG. 2, only one type of mass-to-charge ratio is set for one event, but it is possible to set up to 32 types of mass-to-charge ratios. In other words, the MS 2 in the system of the present embodiment can simultaneously perform SIM measurement for 32 different mass-to-charge ratios (strictly, not by the time but by time division).

  In the compound information table 101 shown in FIG. 3, a retention time, a mass-to-charge ratio, an event identification number, and the like are set for each compound name. In the example of FIG. 3, three compounds (compounds a, b, and c) are registered. In each compound, the columns of retention time and mass-to-charge ratio are columns in which an analyst can arbitrarily input or change numerical values using the input unit 7. Also, in the compound information table 101, unlike the analysis condition setting table 100, any numerical value input using the input unit 7 is possible in the identification number description column. Basically, when an analyst registers a new compound in the compound information table 101, an event identification number is also manually input. At this time, the same event identification number can be assigned to a plurality of compounds. This is because it is conceivable to analyze a plurality of compounds in one event. In the example of FIG. 3, the same event identification number “1” is set for the compound a and the compound b. This means that compound a and compound b are analyzed under the conditions of the event to which event identification number “1” is assigned.

  Each event registered in the analysis condition setting table 100 is given a unique number that does not appear on the display in addition to the identification number that appears on the display. In other words, in addition to the analysis condition setting table 100, the analysis information storage area 63 stores a list of unique numbers shown in the right part of FIG. Similarly, in addition to the compound information table 101, the compound information storage area 62 stores a list of unique numbers shown in the right part of FIG. Next, the identification number and unique number set and managed by the analysis / analysis information management unit 51 will be described in detail with reference to FIG. 4A and 4B show another example of the analysis condition setting table 100 and the compound information table 101. FIG.

  For example, when the analyst newly registers an event as shown in FIG. 4A from the state where the analysis condition setting table 100 is completely blank, the analysis / analysis information management unit 51 is registered in the analysis condition setting table 100. An identification number that is a serial number starting with “1” is automatically assigned to all existing events. In the example of FIG. 4A, identification numbers “1” to “3” are assigned to three events, and these are displayed in the identification number description column as shown in the figure. As described above, this number cannot be changed manually, and is automatically updated according to the addition or deletion of a new event. That is, in the analysis condition setting table 100, it is guaranteed that the identification number is always a sequential number starting with “1”. The analysis / analysis information management unit 51 automatically assigns a non-overlapping unique number different from the identification number to all events newly registered in the analysis condition setting table 100. In the example of FIG. 4A, unique numbers “A”, “B”, and “C” are assigned to three events, and information 102 indicating the correspondence between the identification number and the unique number at that time is recorded. The As described above, since the identification number is automatically updated and is not unique to the event, the unique number is not changed once it is given, and is literally an invariant number unique to the event.

  On the other hand, as shown in FIG. 4B, the analyst inputs and sets a compound, a retention time, and a mass-to-charge ratio in the compound information table 101, and further inputs and sets an event identification number for each compound. In the example of FIG. 4B, the same event identification number “1” is set for the three compounds a, b, and c. When the event identification number input to the compound information table 101 is confirmed, the analysis / analysis information management unit 51 uses the information 102 indicating the correspondence between the identification number and the unique number, and the unique number corresponding to the identification number for each compound. A list of event unique numbers shown in the right part of FIG. 4B is created and stored in the compound information storage area 62 together with the compound information table 101.

  Next, the processing operation when changing the contents of the compound information table 101 shown in FIG. 4A in order to change the analysis conditions will be described. As shown in FIG. 5A, it is assumed that the analyst instructs the input unit 7 to delete the event 2 in the analysis condition setting table 100. Upon receiving this instruction, the analysis / analysis information management unit 51 deletes the second line (event 2 line) in the analysis condition setting table 100 and moves up the third line. As described above, in the analysis condition setting table 100, it is necessary to keep the identification number consecutive. Therefore, the analysis / analysis information management unit 51 performs automatic reassignment of the identification number and is assigned to event 3 before deletion. The identification number “3” that has been stored is updated to “2”. On the other hand, since the unique number is not reassigned, the unique number corresponding to the event 3 remains “C”. Therefore, when the identification number is reassigned, the information 102 indicating the correspondence between the identification number and the unique number is also changed.

  On the other hand, the analysis / analysis information management unit 51 also automatically changes the event identification number in the compound information table 101 to ensure consistency with the reassignment of the identification number accompanying the change in the analysis conditions as described above. That is, as shown above, the information 102 indicating the correspondence between the identification number and the unique number is changed by reassigning the identification number, so that the analysis / analysis information management unit 51 refers to the information 102 and responds from the unique number. Find the identification number to be changed, and change the event identification number. In the example of FIG. 5B, the event unique number for the compound e is “C”, and the identification number corresponding to the unique number “C” is “2” from the information 102 indicating the correspondence between the identification number and the unique number. Therefore, the event identification number “3” for the compound e is changed to “2”. Note that, since event 2 is deleted in analysis condition setting table 100, the correspondence relationship of unique number “B” associated with the event disappears. A unique event identification number is assigned. For example, in this example, the largest number that is younger than the event identification number before disappearance is set as a provisional number, and the largest number that is younger than the event identification number “2” is set as a provisional number. . However, in order to visually indicate that it is a provisional number, for example, it may be displayed in a display color different from the determined event number or blinked. In addition, the analyst may once again set it manually as a blank.

  As described above, in the LC-MS according to the present embodiment, in addition to the identification number that is a serial number for the event registered in the analysis condition setting table 100, the event remains unchanged regardless of the addition or deletion of the event. A unique number is assigned, and the event number in the compound information table 101 is changed to match the identification number in the analysis condition setting table 100 using the unique number. As a result, the automatic change of the identification number caused by the analyst adding or deleting an event in the analysis condition setting table 100 is quickly reflected in the compound information table 101, and the identification number in both the tables 100 and 101 is changed. A shift (mismatch) can be avoided.

  As described above, the analysis condition setting table 100 is used to set analysis conditions, and the compound information table 101 is mainly used to set data analysis parameters for qualitative / quantitative analysis. In order to collect data for a specific compound by measurement and to quantify the compound by analyzing the data, it is important that the time information and the mass-to-charge ratio information in both tables 100 and 101 match. For this purpose, it is desirable that time information and mass-to-charge ratio information in one table can be reflected in the other table by a simple operation. Therefore, in the LC-MS system of the present embodiment, the analysis / analysis information management unit 51 has a function of linking time information and mass-to-charge ratio information of both tables 100 and 101.

  First, cooperation of time information will be described with reference to FIG. In the example of FIG. 6, the retention time information of each compound in the compound information table 101 is reflected in the measurement time range of the event to which the event identification number associated with each compound is assigned on the analysis condition setting table 100. I try to let them. Specifically, when an analyst instructs the time information to be linked by the input unit 7 on another menu screen (not shown), the analysis / analysis information management unit 51 stores the information in the compound information table 101 determined at that time. Based on the retention time of each compound, a time margin set in advance is added to obtain a measurement time range, and the measurement time range of the event specified by the identification number is rewritten. Here, a time margin of ± 2 minutes is determined in advance around the reference time. Therefore, in the example of FIG. 6, for example, the retention time of the compound c is “30 minutes”, so the measurement time range including the time margin is “28-32 minutes”, and the event 2 with the identification number “2” The measurement time range is set to “28-32 minutes”.

  When the same event identification number is set for a plurality of compounds in the compound information table 101, the measurement range time may be set so that all the retention times of the plurality of compounds are included. As described above, it is possible to collect data that can reliably perform data analysis on the analysis target compound.

  Next, the cooperation of the mass-to-charge ratio will be described with reference to FIG. In the example of FIG. 7, the mass-to-charge ratio information of each event in the analysis condition setting table 100 is reflected on the mass-to-charge ratio of the compound for which the identification number corresponding to each event is set on the compound information table 101. I have to. Specifically, when the analyst instructs the input unit 7 to link the mass-to-charge ratio information on another menu screen (not shown), the analysis / analysis information management unit 51 analyzes the analysis condition setting table determined at that time. The mass-to-charge ratio of each event in 100 is extracted, and the mass-to-charge ratio of the compound designated by the event identification number is rewritten. In the example of FIG. 6, for example, the mass-to-charge ratio of the event 2 with the identification number “2” is “200”, so the mass-to-charge ratio of the compound c with the event identification number “2” is changed from “300” to “ 200 ".

  When the same event identification number is registered for a plurality of compounds, the same mass-to-charge ratio may be set for the plurality of compounds. Further, when a plurality of mass-to-charge ratios are set for one event as shown in FIG. 4A, any one (an arbitrary one or a minimum mass-to-charge ratio is used according to a predetermined algorithm). The selected one may be selected and set. As described above, the mass-to-charge ratio set as the analysis condition can be used in data analysis.

  Of course, since the time information and the mass-to-charge ratio information between the analysis condition setting table 100 and the compound information table 101 as described above need to be linked only when an analyst is required, such a state is not implemented. Then, the time information and the mass-to-charge ratio information of both tables 100 and 101 are completely independent and can be arbitrarily set by the analyst.

  In the above description, the case where the analysis conditions are set as an event on the assumption that the SIM measurement is performed in the MS 2 is taken as an example. However, the MS 2 is a triple quadrupole mass spectrometer and the MRM measurement is performed. The same technique can be applied when the above condition is set as an event. That is, in the MRM measurement, a set of the mass-to-charge ratio of the precursor ion and the mass-to-charge ratio of the product ion is one of the analysis conditions. Therefore, this set of mass-to-charge ratio is represented by the mass-to-charge ratio in FIG. 2 or FIG. You can replace it with.

  Moreover, although the said Example applies this invention to LC-MS, since a chromatograph part is not specifically limited to a liquid chromatograph, it is clear that this invention can be applied to GC-MS. In addition, it is apparent that other descriptions are included in the scope of the claims of the present application even if appropriate modifications, corrections, and additions are made within the scope of the present invention.

1 ... Liquid chromatograph (LC)
2. Mass spectrometer (MS)
3 ... Personal computer (PC)
4 ... Data processing unit 5 ... Control unit 51 ... Analysis / analysis information management unit 6 ... Storage unit 61 ... Measurement data storage region 62 ... Compound information storage region 63 ... Analysis information storage region 7 ... Input unit 8 ... Display unit

Claims (3)

A chromatograph unit that temporally separates various components in a sample, a mass analyzer unit that performs mass analysis on components separated by the chromatograph unit, and an analysis process for data collected by the mass analyzer unit A chromatograph mass spectrometer comprising: a data processing unit configured to perform a control unit that operates the mass spectrometer in a measurement mode that selectively performs mass analysis of ions having a specific mass-to-charge ratio in a specific time range;
a) In the measurement mode, one or more events are described in a table format with one measurement time range, one or more measurement target mass-to-charge ratios within the time range, and an event including an identification number as information. A first table for setting analysis conditions,
For each compound to be analyzed by the data processing unit, a retention time, a mass-to-charge ratio, and the identification number for designating an event used at the time of analysis, a second table for setting analysis conditions, which is described in a table format; ,
Display control means for displaying on the screen of the display unit simultaneously or separately;
b) an identification number management means for generating the identification number so as to be a serial number in the table for each event registered in the first table, and inserting the identification number in the identification number description column in the first table;
c) Cooperation instruction means for an analyst to instruct that at least the mass to charge ratio on the first table and the mass to charge ratio on the second table are to be linked;
When the linkage is indicated by d) the coordination instruction means, associated with the event on the first table and the compound of the second table using the identification number, at least, mass-charge ratio of the first table a cooperative control unit for changing the mass to charge ratio of the second table in accordance with,
A chromatographic mass spectrometer comprising: The chromatograph mass spectrometer according to claim 1,
The linkage control means uses the holding time set for each compound on the second table as a reference when an instruction to link the measurement time range on the first table and the holding time on the second table is given. A chromatograph mass spectrometer characterized in that a time range in which a predetermined time width is set is defined and is set as a measurement time range for each event on the first table. The chromatograph mass spectrometer according to claim 1 or 2,
The identification number management means assigns a unique number that is not displayed and does not change when an event is newly registered in the first table to the event, and when a change occurs in the identification number for the event on the first table, A chromatography mass spectrometer characterized by updating an identification number for a compound on the second table based on the unique number associated with the event.

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