Chromatograph mass spectrometry data processing device and program

Abstract

For a plurality of calibration curve samples containing a compound of interest A at different concentrations and containing a stable isotopically labeled compound B thereof at a predetermined concentration, an actual sample containing the compound B at a predetermined concentration and having an unknown concentration of the compound A, and a correction sample containing the compound A at a predetermined concentration and with no compound B added, a peak area SA of a mass chromatogram of the compound A and a peak area SB of a mass chromatogram of the compound B are acquired (106); a value of SB / SA for the correction sample is calculated as a correction coefficient r (107); the correction coefficient r is used to correct each calibration curve sample and the peak area SB of the actual sample (108); a corrected peak area SC of each calibration curve sample is used to create a calibration curve indicating a relationship between the concentration ratio of the compound A and the compound B and the peak area ratio SA / SC (109); and the concentration of the compound A in the actual sample is calculated from the calibration curve, a peak intensity ratio SA / SC in the actual sample, and the concentration of the compound B in the actual sample (110).

Description

Chromatography mass analysis data processing device and program

[0001] The present invention relates to a chromatography-mass spectrometry data processing device that processes data collected by a chromatography-mass spectrometry device such as a liquid chromatography-mass spectrometry device (LC-MS) or a gas chromatography-mass spectrometry device (GC-MS), and to a computer program for causing a computer to execute the data processing.

[0002] In a chromatographic mass spectrometer, a gas chromatograph or liquid chromatograph separates the components contained in a sample over time, followed by a mass analyzer that ionizes the components and separates and detects the ions according to their mass-to-charge ratio (more precisely, m / z). In this case, quadrupole mass analyzers that use a quadrupole mass filter as a mass separator are widely used. Recently, tandem mass analyzers, such as triple quadrupole mass analyzers, which are highly effective at removing impurities, have also become popular.

[0003] Samples subjected to quantitative analysis using a chromatography-mass spectrometer often contain various compounds in addition to the target compound. Therefore, the matrix effect of these impurities can significantly alter the response of an unknown sample compared to the response of the standard sample used to create the calibration curve, often resulting in inaccurate quantitative values. Because the degree of matrix effect varies depending on the combination and concentration of multiple impurities in the sample, the degree of response change varies depending on the type of sample, and in some cases, reliable quantitation cannot be achieved.

[0004] As one method for solving these problems, quantitative analysis using an internal standard method is widely used (see, for example, Non-Patent Document 1). Specifically, a standard sample containing a target compound and an internal standard, which is a compound with a different m / z from the target compound, at known concentrations is analyzed using a chromatographic mass spectrometer, the peak area ratio (or height ratio) of the two compounds on a mass chromatogram is determined, and a calibration curve showing the relationship between the peak area ratio (or height ratio) and the concentration ratio of the target compound and the internal standard is prepared in advance. Then, with reference to the calibration curve, a concentration value is calculated from the peak area ratio (or peak height ratio) of the two compounds obtained by analyzing an unknown sample to which a known concentration of the internal standard has been added.

[0005] In quantitative analysis using the internal standard method as described above, a stable isotope-labeled compound is used as the internal standard, in which some of the constituent elements of the target compound are replaced with stable isotopes (e.g., deuterium or carbon-13). Although the m / z of the stable isotope-labeled compound differs from that of the target compound, it has nearly the same physical and chemical properties and its elution time in chromatography is also nearly the same as that of the target compound. Therefore, in quantitative analysis using a chromatographic mass spectrometer, the stable isotope-labeled compound is subject to nearly the same matrix effect as the target compound. Therefore, by determining the concentration of the target compound based on the relationship between the peak area ratio and the concentration ratio of the target compound and the internal standard, as described above, the influence of the matrix effect can be canceled out and an accurate quantitative value can be obtained.

[0006] Naoki Mochizuki, "Problems with LC-MS / MS Analysis in Food Safety," YAKUGAKU ZASSHI, 2011, Vol. 131, No. 7, pp. 1019-1025

[0007] However, because the mass difference between the target compound and the stable isotope-labeled compound used as the internal standard is only a few Da, separation between the two compounds is insufficient when a mass spectrometer equipped with a mass separator with relatively low mass resolution, such as a quadrupole type, is used. As a result, the peaks of ions derived from the target compound may overlap with the peaks of ions derived from the stable isotope-labeled compound on the mass chromatogram, resulting in reduced quantitative accuracy. In particular, in analysis using a tandem mass spectrometer in multiple reaction monitoring (MRM) mode, the amount of ions reaching the detector is reduced due to its principle. To compensate for this, the mass resolution is intentionally set low to improve sensitivity, resulting in the above-mentioned problems. Furthermore, even when a mass spectrometer equipped with a mass separator with relatively high mass resolution, such as a time-of-flight (TOF) type, is used, if a specific derivatization treatment is performed as a pretreatment before introducing the sample into the chromatographic mass spectrometer, the m / z of the target compound and the stable isotope-labeled compound after derivatization may become very close for some reason, making it impossible to sufficiently separate the two, resulting in the above-mentioned problems.

[0008] The present invention has been made in view of the above points, and an object of the present invention is to improve the accuracy of quantitative analysis by the internal standard method using a chromatograph mass spectrometer.

[0009] The present invention provides a chromatography mass spectrometry data processing device that has been made to solve the above-mentioned problems, and includes: a plurality of calibration curve preparation samples each containing a target compound at different concentrations and each containing an internal standard that is a stable isotope-labeled compound of the target compound at a predetermined concentration; a real sample in which the concentration of the target compound is unknown and contains the internal standard at a predetermined concentration; and a correction sample in which the target compound is contained at a predetermined concentration but to which the internal standard has not been added, the calibration curve preparation samples are each measured using a chromatography mass spectrometer; the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, each containing a target compound at a different concentration and each containing an internal standard at a predetermined concentration; and the calibration sample is ... the real sample, and the correction sample; and the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; and the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; and the calibration curve preparation samples are each obtained by measuring the plurality of calibration curve preparation samples, the real sample, and the correction sample; a peak intensity value correction unit that calculates a corrected second peak intensity value for each of the plurality of calibration curve preparation samples and the real sample by multiplying the first peak intensity value by the correction coefficient and subtracting the resultant value from the second peak intensity value; a calibration curve creation unit that calculates a ratio between the corrected second peak intensity value and the first peak intensity value for each of the plurality of calibration curve preparation samples and the real sample, and creates a calibration curve that indicates the relationship between the concentration ratio between the target compound and the internal standard and the ratio between the first peak intensity value and the corrected second peak intensity value, based on these ratios and the concentrations of the target compound and the internal standard in the plurality of calibration curve preparation samples; and a concentration calculation unit that specifies the concentration ratio between the target compound and the internal standard in the real sample by applying the ratio between the corrected second peak intensity value and the first peak intensity value of the real sample to the calibration curve, and calculates the concentration of the target compound in the real sample based on the concentration ratio and the concentration of the internal standard in the real sample. and a quantitative value display unit that displays the concentration as a quantitative result on a display device.

[0010] The program according to the present invention, which has been made to solve the above problems, causes a computer to function as the chromatography mass spectrometry data processing device.

[0011] The chromatography mass spectrometry data processing device and program according to the present invention having the above configuration can improve the accuracy of quantitative analysis by the internal standard method using a chromatography mass spectrometry device.

[0012] The present invention relates to a method for processing a chromatographic mass spectrometry data set, ...

[0013] Fig. 1 is a block diagram showing the main configuration of a quantitative analysis system including a chromatography mass spectrometry data processing device according to one embodiment of the present invention, and Fig. 2 is a flowchart showing the procedure and processing flow of quantitative analysis using this quantitative analysis system.

[0014] As shown in Figure 1, this quantitative analysis system includes an autosampler 10, a measurement unit 20 including a chromatograph unit 21 and a mass spectrometer unit 22, a system controller 30 that controls the operations of the autosampler 10, the chromatograph unit 21, and the mass spectrometer unit 22, a control unit 40 that controls the entire system, and a data processing unit 50 that processes data collected by the measurement unit 20.

[0015] The chromatograph unit 21 is a gas chromatograph or liquid chromatograph, and is equipped with a column (not shown) for separating sample components. The mass analyzer unit 22 is equipped with an ion source for ionizing sample components, a mass separator for separating ions according to m / z, and an ion detector for detecting the separated ions (all not shown). The mass analyzer unit 22 may be a mass analyzer that performs normal mass analysis without ion dissociation, or may be a mass analyzer that performs MS / MS analysis or MS nThe mass analyzer 22 may be any type of tandem mass analyzer capable of performing analysis. The mass analyzer 22 may be equipped with any type of mass separator, such as a quadrupole type or a time-of-flight type.

[0016] The data processing unit 50 includes a data storage unit 52 and functional blocks including a data acquisition unit 51, a chromatogram creation unit 53, a peak intensity identification unit 54 (corresponding to the peak intensity value acquisition unit in the present invention), a correction coefficient calculation unit 55, a peak intensity value correction unit 56, a calibration curve creation unit 57, a concentration calculation unit 58, and a display control unit 59 (corresponding to the quantitative value display unit in the present invention). The functions of the control unit 40 and the data processing unit 50 are realized by a computer 60 including a CPU, memory, a large-capacity storage medium (such as a hard disk), and the like. This computer 60 corresponds to the chromatograph mass spectrometer data processing device in the present invention. Connected to the computer 60 are an input unit 71 through which a user inputs various instructions and a display unit 72 for displaying various information. The display unit 72 is, for example, a liquid crystal display, and the input unit 71 is, for example, a keyboard, a pointing device such as a mouse, or a touch panel attached to the display unit 72. The computer 60 may be a personal computer or a more powerful computer known as a workstation. A predetermined program is pre-installed on the computer 60, and the functions of the control unit 40 and the functions of each of the functional blocks of the data processing unit 50 are realized in software by the CPU executing this program. The functions of the data storage unit 52 are realized by a mass storage medium provided in the computer 60. The predetermined program may be pre-installed on the computer 60 (strictly speaking, on a mass storage medium that is part of the computer 60) when the user purchases the quantitative analysis system according to this embodiment. Alternatively, the program may be stored on a computer-readable, non-transitory recording medium, such as a CD-ROM, DVD-ROM, memory card, or USB memory (dongle), and provided to the user. The program may also be provided to the user in the form of data transfer via a communication line, such as the Internet.In addition, the program for realizing each of the functional blocks of the data processing unit 50 (corresponding to the program according to the present invention) may be a stand-alone program, or may be a function incorporated into part of a program for realizing the function of the control unit 40, and its form is not particularly important.

[0017] The procedure for quantifying a target compound in a sample using the above-described quantitative analysis system and the processing executed by the data processing unit 50 during this procedure will be described with reference to the flowchart of FIG.

[0018] First, a user prepares a real sample to be quantitatively analyzed, multiple standard samples for creating a calibration curve (hereinafter referred to as calibration curve samples), and a standard sample for calculating a correction coefficient (hereinafter referred to as a correction sample) (step 101). Here, the real sample is an unknown sample with an unknown concentration of a target compound to which an internal standard substance has been added to achieve a predetermined concentration. The calibration curve samples are multiple samples containing the target compound at different concentrations, each of which has an internal standard substance added to achieve a predetermined concentration. The correction sample is a sample containing the target compound at a predetermined concentration but to which no internal standard substance has been added. Here, it is desirable that the concentrations of the internal standard substance in the multiple calibration curve samples and the real sample are the same, but this is not necessarily limited to this. Furthermore, the concentration of the target compound in the correction sample may be the same or different from the concentration of the internal standard substance in the multiple calibration curve samples or the real sample. Furthermore, it is desirable that the concentrations of the internal standard in each of the plurality of samples for preparing a calibration curve are the same, but this is not necessarily a limitation. Note that, as the internal standard in this embodiment, a stable isotope-labeled compound obtained by substituting a part of the constituent elements of the target compound with a stable isotope element (e.g., deuterium or carbon-13) is used.

[0019] Thereafter, the user pre-treats the actual sample, the calibration sample, and the calibration sample as needed (step 102). Examples of pre-treating include, but are not limited to, pre-treating typically performed in gas chromatography or liquid chromatography, such as solid-phase extraction, derivatization, or removal of unnecessary components using an organic solvent. The pre-treating may be performed manually by the user or automatically by a pre-treatment device. Furthermore, such pre-treating is not necessarily required.

[0020] Next, the user loads each sample into the autosampler 10 and operates the input unit 71 to instruct the control unit 40 to start analysis. Upon receiving this instruction, the control unit 40 controls the autosampler 10, the chromatograph unit 21, and the mass analyzer unit 22 via the system controller 30 to introduce each sample into the measurement unit 20 one by one, and sequentially execute chromatographic mass analysis for each sample (step 103). At this time, in the chromatograph unit 21, various components contained in the sample introduced from the autosampler 10 are separated by a column. The sample components separated by the column in the chromatograph unit 21 are sequentially introduced into the mass analyzer unit 22, ionized in the ion source, separated according to m / z in the mass separator, and detected by the ion detector. If the mass analyzer 22 is a mass analyzer that performs normal mass analysis without ion dissociation, it is desirable to perform measurement in SIM (Selected Ion Monitoring) mode, which monitors only ions with a predetermined m / z value specific to the compounds to be measured (here, the target compound and the internal standard). If the mass analyzer 22 is a tandem mass analyzer, it is desirable to perform measurement in MRM (Multiple Reaction Monitoring) mode, which monitors only ions corresponding to a combination of an m / z value specific to an ion (precursor ion) generated from each compound to be measured and an m / z value of a product ion obtained by fragmenting the precursor ion (called an MRM transition). In these cases, the m / z value or MRM transition to be monitored is preset by the user. However, the measurement mode in the mass analyzer 22 is not limited to these.

[0021] The output signal from the ion detector of the mass analysis unit 22 is converted into digital data by an analog-to-digital converter (ADC in the figure) 23 and then sent to a data processing unit 50. In the data processing unit 50, a data acquisition unit 51 acquires the digital data (step 104) and stores it in a data storage unit 52. Hereinafter, data obtained by analyzing a real sample will be referred to as real sample measurement data, data obtained by analyzing a calibration curve preparation sample will be referred to as calibration curve preparation sample measurement data, and data obtained by analyzing a correction sample will be referred to as correction sample measurement data.

[0022] Next, the chromatogram creation unit 53 sequentially reads out each of the measurement data stored in the data storage unit 52, and creates, based on each measurement data, a mass chromatogram showing the time change in the detection intensity of ions corresponding to a predetermined m / z or MRM transition for the target compound (hereinafter referred to as a "target compound mass chromatogram") and a mass chromatogram showing the time change in the detection intensity of ions corresponding to a predetermined m / z or MRM transition for the internal standard (hereinafter referred to as an "internal standard mass chromatogram") (step 105). As described above, the target compound mass chromatograms and internal standard mass chromatograms created for each of the actual sample, the multiple calibration curve creation samples, and the correction sample are each stored in the data storage unit 52.

[0023] Next, the peak intensity identification unit 54 sequentially reads out the mass chromatograms stored in the data storage unit 52 and identifies the area or height of the peak corresponding to the target compound in the target compound mass chromatogram created for each sample, and the area or height of the peak corresponding to the internal standard in the internal standard mass chromatogram created for each sample (step 106). Note that the peaks corresponding to the target compound and the internal standard are peaks that appear near the elution times of the target compound and the internal standard in each mass chromatogram. Hereinafter, the area or height of the peak will be collectively referred to as "peak intensity." Furthermore, the area or height of the peak corresponding to the target compound in the target compound mass chromatogram created for each sample will be referred to as "target compound peak intensity S Ａ", and the area or height of the peak corresponding to the internal standard in the internal standard mass chromatogram prepared for each sample is called the "internal standard peak intensity S Ｂ From the above, the peak intensity S of the target compound identified for each sample is Ａ (corresponding to the first peak intensity value in the present invention) and the internal standard peak intensity S Ｂ The value of this peak intensity (corresponding to the second peak intensity value in the present invention) is stored in the data storage unit 52.

[0024] Next, the correction coefficient calculation unit 55 calculates the peak intensity S of the target compound in the correction sample. Ａ and the internal standard peak intensity S Ｂ The value of is read from the data storage unit 52, and the ratio of the latter to the former (i.e., S Ｂ / S Ａ ) is calculated as a correction coefficient r (step 107). The calculated correction coefficient r is stored in the data storage unit 52.

[0025] Next, the peak intensity value correction unit 56 calculates the internal standard peak intensity S for each of the plurality of calibration curve preparation samples and the actual sample using the correction coefficient r. Ｂ Specifically, first, the peak intensity value correcting unit 56 corrects the peak intensity S of the target compound of the actual sample. Ａ and internal standard peak intensity S Ｂ and the above-mentioned correction coefficient r are read out from the data storage unit 52, and the target compound peak intensity S Ａ is multiplied by a correction coefficient r to obtain the peak intensity S of the internal standard substance. Ｂ The corrected internal standard peak intensity S is obtained by subtracting it from Ｃ (i.e., S Ｃ = S Ｂ -r x S Ａ ). This corrected internal standard peak intensity S Ｃ is the peak intensity of the internal standard substance before correction, S Ｂ The corrected peak intensity of the internal standard substance S is obtained by removing the intensity of the detection response (i.e., peak intensity) due to ions derived from the target compound from the sample. ＣAs a result of the above, the "corrected internal standard peak intensity S" calculated for each of the actual sample and the multiple samples for preparing the calibration curve is calculated. Ｃ The value of " is stored in the data storage unit 52.

[0026] Next, the calibration curve creation unit 57 calculates the "corrected internal standard peak intensity S" for each of the plurality of calibration curve creation samples. Ｃ " and the peak intensity S of the target compound Ａ is read from the data storage unit 52, and the ratio of the latter to the former (i.e., S Ａ / S Ｃ ) is calculated. A regression equation is then created from the ratio value (hereinafter referred to as the peak intensity ratio of the target compound to the internal standard) calculated for each of the plurality of calibration curve preparation samples and the concentration ratio of the target compound to the internal standard in each calibration curve preparation sample (concentration of the target compound / concentration of the internal standard), thereby creating a calibration curve showing the relationship between the concentration ratio of the target compound to the internal standard and the peak intensity ratio (step 109). Data on the created calibration curve is stored in data storage unit 52.

[0027] Next, the concentration calculation unit 58 calculates the “corrected internal standard peak intensity S Ｃ " and the peak intensity S of the target compound Ａ is read from the data storage unit 52, and the ratio of the latter to the former (i.e., S Ａ / S Ｃ Then, the concentration ratio of the target compound to the internal standard in the real sample is determined by applying the ratio (i.e., the peak intensity ratio of the target compound to the internal standard in the real sample) to the calibration curve, and the concentration of the target compound in the real sample is calculated by multiplying the concentration ratio (concentration of the target compound / concentration of the internal standard) by the (known) concentration of the internal standard in the real sample (step 110).

[0028] The concentration calculated as described above is stored in the data storage unit 52 as a quantitative result, and is also displayed on the screen of the display unit 72 under the control of the display control unit 59 and presented to the user (step 111).

[0029] As described above, in the quantitative analysis system according to this embodiment, the correction factor r is calculated based on the measurement results of the correction sample, and the peak intensity at the m / z (or MRM transition) of the internal standard obtained by measuring the calibration curve preparation sample and the actual sample is corrected using the correction factor r. This makes it possible to remove the detection response attributable to ions derived from the target compound from the detection response at the m / z (or MRM transition) of the internal standard, thereby improving the accuracy of quantitative analysis by the internal standard method using a chromatographic mass spectrometer.

[0030] Although the above describes specific examples of embodiments of the present invention, the present invention is not limited to the above embodiments and can be modified as appropriate within the scope of the present invention. For example, in the above embodiment, the functions of the functional blocks of the data acquisition unit 51, the chromatogram creation unit 53, the peak intensity identification unit 54, the correction coefficient calculation unit 55, the peak intensity value correction unit 56, the calibration curve creation unit 57, the concentration calculation unit 58, and the display control unit 59 are realized by a predetermined program (the program according to the present invention) installed on the computer 60. However, the functions of the chromatogram creation unit 53 and the peak intensity identification unit 54 may be realized by a program other than the program according to the present invention. In this case, the program according to the present invention realizes the above-mentioned functional blocks, including the data acquisition unit 51, the correction coefficient calculation unit 55, the peak intensity value correction unit 56, the calibration curve creation unit 57, the concentration calculation unit 58, and the display control unit 59. The data acquisition unit 51 acquires the peak intensity values ​​specified by the other program, and the correction coefficient calculation unit 55, the peak intensity value correction unit 56, the calibration curve creation unit 57, the concentration calculation unit 58, and the display control unit 59 perform processes ranging from calculation of the correction coefficients to calculation and display of the quantitative values ​​(i.e., the processes of steps 107 to 111 in FIG. 2 ). In this case, the data acquisition unit 51 may acquire the peak intensity values ​​specified by the other program directly from the other program or via a network, or may display a predetermined input reception screen on the display unit 72 under the control of the display control unit 59 and have the user input the peak intensity values ​​on the input reception screen. In this case, the program according to the present invention and the other program may be installed on the same computer or on separate computers. An example of the configuration of the chromatography mass spectrometer according to the present invention in the latter case is shown in Figure 3. In this example, a data acquisition unit 151 acquires the peak intensity values ​​identified by a computer other than the computer 160 constituting the chromatography mass spectrometry data processing device according to the present invention from the computer.That is, in this configuration example, the data acquisition unit 151 corresponds to the peak intensity value acquisition unit of the present invention. The functions of the data storage unit 152, the correction coefficient calculation unit 155, the peak intensity value correction unit 156, the calibration curve creation unit 157, the concentration calculation unit 158, and the display control unit 159 are the same as those in the above embodiment, and therefore will not be described here.

[0031] Aspects It will be apparent to those skilled in the art that the exemplary embodiments described above are examples of the following aspects.

[0032] (Item 1) A chromatography mass spectrometry data processing device according to one aspect of the present invention includes: a plurality of calibration curve preparation samples each containing a target compound at different concentrations and each containing an internal standard substance, which is a stable isotope-labeled compound of the target compound, at a predetermined concentration; a real sample in which the concentration of the target compound is unknown and which contains the internal standard substance at a predetermined concentration; and a correction sample in which the target compound is contained at a predetermined concentration but to which the internal standard substance has not been added, each of which is obtained by measuring the calibration curve preparation samples, the real sample, and the correction sample, the plurality of calibration curve preparation samples being ... a peak intensity value correction unit that calculates a corrected second peak intensity value for each of the plurality of calibration curve preparation samples and the real sample by multiplying the first peak intensity value by the correction coefficient and subtracting the resultant value from the second peak intensity value; a calibration curve creation unit that calculates a ratio between the corrected second peak intensity value and the first peak intensity value for each of the plurality of calibration curve preparation samples and the real sample, and creates a calibration curve that indicates the relationship between the concentration ratio between the target compound and the internal standard and the ratio between the first peak intensity value and the corrected second peak intensity value, based on these ratios and the concentrations of the target compound and the internal standard in the plurality of calibration curve preparation samples; and a concentration calculation unit that specifies the concentration ratio between the target compound and the internal standard in the real sample by applying the ratio between the corrected second peak intensity value and the first peak intensity value of the real sample to the calibration curve, and calculates the concentration of the target compound in the real sample based on the concentration ratio and the concentration of the internal standard in the real sample. a quantitative value display unit that displays the concentration as a quantitative result on a display device.

[0033] (2) The program according to the second paragraph is a program that causes a computer to function as the chromatography mass spectrometry data processing device according to the first paragraph.

[0034] DESCRIPTION OF SYMBOLS 10... Autosampler 20... Measurement section 21... Chromatograph section 22... Mass analysis section 30... System controller 40... Control section 50... Data processing section 51... Data acquisition section 52... Data storage section 53... Chromatogram creation section 54... Peak intensity identification section 55... Correction coefficient calculation section 56... Peak intensity value correction section 57... Calibration curve creation section 58... Concentration calculation section 59... Display control section 60... Computer 71... Input section 72... Display section

Claims

1. A peak intensity value acquisition unit that acquires a first peak intensity value, which is the area or height of a mass chromatogram peak of m / z or MRM transition corresponding to the target compound, and a second peak intensity value, which is the area or height of a mass chromatogram peak of m / z or MRM transition corresponding to the internal standard, for each of the plurality of calibration curve creation samples, the actual samples, and the correction samples, which are obtained by measuring, with a chromatographic mass spectrometer, a plurality of calibration curve creation samples each containing a different concentration of a target compound and a predetermined concentration of an internal standard substance that is a stable isotope-labeled compound of the target compound, a real sample in which the concentration of the target compound is unknown and which contains the internal standard substance at a predetermined concentration, and a correction sample in which the target compound is contained at a predetermined concentration and to which the internal standard substance is not added; a correction coefficient calculation unit that calculates a ratio of the second peak intensity value of the correction sample to the first peak intensity value of the correction sample as a correction coefficient; a peak intensity value correction unit that calculates a corrected second peak intensity value for each of the plurality of calibration curve creation samples and the real sample by subtracting a value obtained by multiplying the first peak intensity value by the correction coefficient from the second peak intensity value; a calibration curve creation unit that calculates a ratio between the corrected second peak intensity value and the first peak intensity value for each of the plurality of calibration curve creation samples, and creates a calibration curve showing a relationship between the concentration ratio of the target compound to the internal standard and the ratio of the first peak intensity value to the corrected second peak intensity value based on these values ​​and the concentrations of the target compound and the internal standard in the plurality of calibration curve creation samples; a concentration calculation unit that specifies the concentration ratio of the target compound to the internal standard in the real sample by applying the ratio between the corrected second peak intensity value of the real sample and the first peak intensity value of the real sample to the calibration curve, and calculates the concentration of the target compound in the real sample based on the concentration ratio and the concentration of the internal standard in the real sample; and a quantitative value display unit that displays the concentration as a quantitative result on a display device.

2. A program for causing a computer to function as the chromatography mass spectrometry data processing device according to claim 1.

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