WO2021143372A1

WO2021143372A1 - Method and system for regulating number of ions in ion trap mass analyzer of mass spectrometer

Info

Publication number: WO2021143372A1
Application number: PCT/CN2020/132696
Authority: WO
Inventors: 欧阳证; 焦斌; 卜杰洵; 刘新玮
Original assignee: 清华大学; 北京清谱科技有限公司
Priority date: 2020-01-19
Filing date: 2020-11-30
Publication date: 2021-07-22
Also published as: CN111223740B; CN111223740A

Abstract

A method and system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer (10). The method comprises: introducing ions of a sample to be tested into an ion trap (S101); performing initial mass spectrometry analysis, saving and analyzing each initial parameter, and outputting initial mass spectrum information (S102); analyzing the number of ions that enter the ion trap and are stored, and regulating the number of ions (S103); establishing a relationship model between each initial parameter and the number of ions by means of pre-experiments, and performing gain compensation on spectrum peak intensity obtained after regulation to determine each optimal initial parameter (S104); performing mass spectrometry analysis by using the optimal initial parameters, and outputting a mass spectrum in which the spectrum peak intensity corresponds to a sample concentration (S105).

Description

Method and system for regulating ion quantity in ion trap mass analyzer of mass spectrometer

Cross-references to related applications

This application is based on the Chinese patent application "Method and System for Regulating the Ion Quantity in the Ion Trap Mass Analyzer of Mass Spectrometer" with the application number 202010060711.3 and the application date on January 19, 2020, and claims the priority of the Chinese patent application mentioned above. The entire content of the patent application is incorporated herein by reference.

Technical field

The application relates to the technical field of mass spectrometry, and in particular to a method and system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer.

Background technique

The ion trap mass analyzer is a device that uses an electric field to trap and trap ions within a certain range. Because of its small size and low vacuum requirements, it is widely used in small mass spectrometers. However, if there are too many trapped ions in the ion trap, space charge effects will occur, that is, the Coulomb repulsion between the ions will cause the ions to "mass shift", so that the peak intensity in the mass spectrum cannot reflect the true concentration of the ion. , And the resolution of the instrument is reduced, and the quality accuracy is reduced. To avoid this phenomenon, people use various methods to control the number of ions entering the ion trap mass analyzer.

However, the current sampling method of mass spectrometers is mostly continuous sampling, which can ensure the stability of the pressure in the instrument and facilitate the corresponding operations such as screening, fragmentation, and sweeping of ions. However, maintaining the vacuum degree when using continuous sample injection has a high demand on the pumping speed of the pump used. At the same time, as long as the instrument is turned on, the multi-stage pump is in a working state that consumes more power. However, the mass spectrometer with non-continuous injection only takes about 5% of the time to be in the sampling state during use. It is relatively easy to maintain the vacuum in the cavity, and the power consumption of the pump and the volume of the instrument will be reduced accordingly. Discontinuous sampling is conducive to the miniaturization design of mass spectrometers. However, the non-continuous sampling method will make the pressure in the instrument unstable, especially when the pressure will rise sharply during the sampling, the operation mode of the ion will change greatly with the pressure change, in the continuous sampling mass spectrometer Commonly used methods of controlling the amount of ion storage by controlling the opening and closing of the gate electrode voltage and adding compensation radio frequency signals cannot be implemented normally under higher air pressure conditions during discontinuous injection.

However, the application scenarios of portable mass spectrometers are mostly the more complex conditions in the test environment. The type and content of the samples to be tested are highly unknown, and there are many types of ionization methods combined with portable mass spectrometers. These factors will cause entry into the ion trap. The amount of ions in the iso-mass analyzer has a strong uncertainty, which brings great difficulties to the actual analysis process. If the amount of ions entering the ion trap mass analyzer is too low, the sensitivity of the instrument will decrease, making the instrument unable to detect target ions; if the amount of ions entering the ion trap mass analyzer is too high, it will cause space charges in the ion trap mass analyzer. Effect, the resolution and quality accuracy of the instrument are greatly affected. Therefore, a method that can maintain the stability of the ion amount in the ion trap mass analyzer is needed to ensure the reliability of mass spectrometry. At the same time, it is also necessary to adjust its gain accordingly, so that the peak intensity of the final mass spectrum displayed corresponds to the concentration of the sample.

In addition, easy operation is an important feature of portable mass spectrometers, but its target population is field workers who do not have professional operating skills and corresponding analytical chemistry knowledge backgrounds. Too complicated adjustment methods will greatly affect the application of portable mass spectrometers. .

Therefore, on the basis of the basic mass spectrometry analysis, in order to further improve the analytical performance of the instrument, it is necessary to further improve the way the discontinuous sampling mass spectrometer regulates the number of ions stored in the ion trap.

Summary of the invention

This application aims to solve one of the technical problems in the related technology at least to some extent.

To this end, one purpose of the present application is to propose a method for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer, which can improve performance such as sensitivity, resolution, and mass accuracy, and enhance the ability to process complex samples.

Another object of the present application is to provide a system for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer.

In order to achieve the above objective, one embodiment of the present application proposes a method for regulating the number of ions in a mass spectrometer ion trap mass analyzer, which includes the following steps: preset the opening time of the discontinuous injection interface, and introduce the sample ions to be tested into the ion trap Perform initial mass spectrometry on the sample ions to be tested, save and analyze various initial parameters, and output initial mass spectrum information; analyze the number of ions that enter the ion trap and be stored, and change the initial parameters to control the The number of ions; the relationship model between the initial parameters and the number of ions is determined through preliminary experiments, and the spectral peak intensity obtained after adjustment is compensated based on the relationship model to determine the optimal initial parameters; Perform mass spectrometry analysis on the optimal initial parameters, and output a mass spectrum with the peak intensity corresponding to the sample concentration.

The method for regulating the number of ions in the ion trap mass analyzer of the mass spectrometer in the embodiments of the present application is based on the basic principle of operating ions in the mass spectrometry analysis process, by controlling the on time of the radio frequency voltage applied to the ion trap, and by controlling The amount of ions is controlled by parameters such as DC voltage applied to the gate electrode, and then a certain gain compensation is performed on the peak intensity, so that the discontinuous injection mass spectrometer can perform analysis on each sample under optimal conditions. Detection, and the obtained peak intensity corresponds to the sample concentration.

In addition, the method for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer according to the foregoing embodiment of the present application may also have the following additional technical features:

Further, in an embodiment of the present application, the ion trap is a mass analyzer in an ion trap mass spectrometer adopting a discontinuous injection interface, and a method of fixing the opening time of the discontinuous injection port is adopted to control the The change of each injection.

Further, in an embodiment of the present application, the performing initial mass spectrometry analysis on the sample ions to be tested, saving and analyzing various initial parameters, and outputting initial mass spectrum information, further includes: acquiring various parameters of the mass spectrometer Characteristics; preset corresponding initial values according to the characteristics of the various parameters, and perform initial mass spectrometry on the sample ions to be tested according to the initial values; record the initial parameters of the initial mass spectrometry analysis and the initial mass spectrum Information, and analyze the adjustment direction of the initial parameters.

Further, in an embodiment of the present application, the adjustment of the number of ions by changing the initial parameters includes two adjustment methods, wherein, based on the number of ions, by changing the opening of the radio frequency voltage on the ion trap Time, the regulation of the number of ions is completed; based on the number of ions, the regulation of the number of ions is completed by changing the amplitude of the DC voltage on the gate electrode.

Further, in an embodiment of the present application, the two adjustment methods are used independently or in combination, and the number of executions is at least once.

Further, in an embodiment of the present application, before performing gain compensation, multiple standard solutions need to be used to establish and verify the validity of the relationship model. If it is valid, perform gain compensation processing; if it is invalid, redesign Preliminary experiments determine a new relationship model, wherein the standard solution is a solution with multiple concentration gradients.

In order to achieve the above objective, another embodiment of the present application proposes a system for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer. The ions are introduced into the ion trap; the initial mass spectrometry analysis module is used to perform initial mass spectrometry analysis on the sample ions to be tested, save and analyze various initial parameters, and output initial mass spectrum information; the control module is used to analyze the input into the ion trap and be The number of ions stored, and the number of ions is adjusted by changing the initial parameters; a gain compensation module is used to determine the relationship model between the initial parameters and the number of ions through preliminary experiments, and based on the relationship model Gain compensation for the peak intensity obtained after regulation to determine the optimal initial parameters; the output module is used to perform mass spectrometry analysis according to the optimal initial parameters, and output the mass spectrum with the peak intensity corresponding to the sample concentration .

The system for regulating the number of ions in the ion trap mass analyzer of the mass spectrometer in the embodiment of the present application is based on the basic principle of operating ions during the mass spectrometry analysis process, by controlling the on time of the radio frequency voltage applied to the ion trap, and by controlling The DC voltage applied to the gate electrode controls the amount of ions stored in the ion trap, and then a certain gain compensation is performed on the peak intensity, so that the discontinuous sampling mass spectrometer can perform each measurement under the best conditions. The sample to be analyzed is tested, and the peak intensity obtained corresponds to the concentration of the sample.

In addition, the system for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer according to the foregoing embodiment of the present application may also have the following additional technical features:

Further, in an embodiment of the present application, the initial mass spectrometry analysis module includes: an acquisition unit for acquiring various parameter characteristics of the mass spectrometer; an initial mass spectrometry analysis unit for presetting according to the various parameter characteristics According to the corresponding initial value, perform initial mass spectrometry analysis on the sample ion to be tested according to the initial value; the recording and analysis unit is used to record the various initial parameters of the initial mass spectrometry analysis and the initial mass spectrum information, and analyze all Describe the adjustment direction of each initial parameter.

Further, in an embodiment of the present application, changing the initial parameters in the adjustment module to adjust the number of ions includes two adjustment methods, wherein, based on the number of ions, by changing the radio frequency on the ion trap The opening time of the voltage completes the regulation of the number of ions; based on the number of ions, the regulation of the number of ions is completed by changing the amplitude of the DC voltage on the gate electrode.

The additional aspects and advantages of this application will be partly given in the following description, and some will become obvious from the following description, or be understood through the practice of this application.

Description of the drawings

The above and/or additional aspects and advantages of the present application will become obvious and easy to understand from the following description of the embodiments in conjunction with the accompanying drawings, in which:

FIG. 1 is a flowchart of a method for regulating the quantity of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application;

Fig. 2 is a schematic structural diagram of an ion trap mass spectrometer with discontinuous sampling according to an embodiment of the present application;

FIG. 3 is a schematic diagram of a method for adjusting the number of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application;

FIG. 4 is a schematic diagram of another method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application;

FIG. 5 is a graph showing the relationship between the initial parameters in FIG. 3 and the number of ions that enter the ion trap and are stored according to an embodiment of the present application;

FIG. 6 is a graph showing the relationship between various initial parameters in FIG. 4 and the number of ions that enter the ion trap and are stored according to an embodiment of the present application;

FIG. 7 is a diagram of the relationship between the ion amount in FIG. 5 and the change of the parameter obtained by using a series of standard solutions of concentrations according to an embodiment of the present application;

FIG. 8 is a diagram of the relationship between the amount of ions described in FIG. 6 as a function of parameters, which is verified by using a series of standard solutions of concentrations according to an embodiment of the present application;

FIG. 9 is a comparison diagram of a mass spectrum obtained after two of the two adjustment methods of the method for adjusting the quantity of ions in the ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application and a mass spectrum obtained without using the method;

Fig. 10 is a schematic structural diagram of a system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application.

Detailed ways

The embodiments of the present application are described in detail below. Examples of the embodiments are shown in the accompanying drawings, wherein the same or similar reference numerals indicate the same or similar elements or elements with the same or similar functions. The embodiments described below with reference to the drawings are exemplary, and are intended to explain the present application, but should not be understood as a limitation to the present application.

The following describes the method and system for regulating the number of ions in a mass spectrometer ion trap mass analyzer according to embodiments of the present application with reference to the drawings. First, referring to the accompanying drawings, the method and system for regulating the ion trap mass analyzer of a mass spectrometer according to the embodiments of the present application will be described. The method of the number of ions.

FIG. 1 is a flowchart of a method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application.

As shown in Figure 1, the method for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer includes the following steps:

In step S101, the opening time of the discontinuous sample injection interface is preset, and the sample ions to be tested are introduced into the ion trap.

Further, in an embodiment of the present application, the ion trap used is a mass analyzer in an ion trap mass spectrometer with a discontinuous injection interface, and a method of fixing the opening time of the discontinuous injection port is adopted to control each The change of the first injection.

It can be understood that the discontinuous injection interface is turned on for 20ms, and the sample ions to be tested are introduced into the portable mass spectrometer with discontinuous injection.

It should be noted that the examples of this application are not affected by the ionization method. The ionization methods adopted by the discontinuous sampling mass spectrometer include in-situ ionization methods such as desorption electrospray ionization, real-time direct analysis, and electrospray ionization, matrix Assist other ionization methods such as laser desorption ionization.

In step S102, an initial mass spectrometry analysis is performed on the sample ions to be tested, various initial parameters are saved and analyzed, and initial mass spectrum information is output.

That is to say, in the initial state, perform a mass spectrometry analysis on the sample, save and analyze the parameters used and the information of the output spectrum.

Further, in an embodiment of the present application, performing initial mass spectrometry analysis on the sample ions to be tested, saving and analyzing various initial parameters, and outputting initial mass spectrum information, further includes: acquiring various parameter characteristics of the mass spectrometer; The parameter feature presets the corresponding initial value, and performs initial mass spectrometry on the sample ion to be tested according to the initial value; records the initial parameters and initial mass spectrum information of the initial mass spectrometry analysis, and analyzes the adjustment direction of each initial parameter.

Specifically, as shown in FIG. 2, the mass spectrometer 10 used in the embodiment of the present application includes a discontinuous sampling interface DAPI-101, a gate electrode Gate1-102, a quadrupole Trap-103, a gate electrode Gate2-104, and a detector. -105.

Among them, the discontinuous sampling interface-101 is used to transmit ions generated by various ionization methods during the mass spectrometry analysis process, and at the same time, it can isolate the vacuum chamber from the external environment and reduce the dependence of the instrument on the pump. The gate electrode Gate1-102, the quadrupole Trap-103, and the gate electrode Gate2-104 together constitute the mass analyzer in the discontinuous sampling mass spectrometer, that is, the linear ion trap. The DC voltage value can change the axial movement direction of the ion, and by changing the radio frequency voltage added to the quadrupole, the radial movement of the ion can be controlled. The detector-105 is used to detect the ions transmitted from the mass analyzer, so as to transmit the information of the ions with different mass-to-charge ratios entering the mass analyzer.

The portability of the discontinuous sampling mass spectrometer enables it to be truly applied to the on-site in-situ analysis of the sample to be tested, but because its application scenarios are mostly complicated conditions in the test environment, the type and content of the sample to be tested are strongly unknown In addition, there are many types of ionization methods combined with discontinuous sampling mass spectrometers. The above factors will make the amount of ions entering the ion trap mass analyzer have a strong uncertainty, which will bring great difficulties to the actual analysis process. If the amount of ions entering the ion trap mass analyzer is too low, the sensitivity of the instrument will decrease, making the instrument unable to detect the target ions; if the amount of ions entering the ion trap mass analyzer is too high, it will cause space charges in the ion trap mass analyzer. Effect, the resolution and quality accuracy of the instrument are greatly affected. Therefore, a method that can maintain the stability of the ion amount in the ion trap mass analyzer is needed to ensure the reliability of mass spectrometry. At the same time, it is also necessary to adjust its gain accordingly, so that the peak intensity of the final mass spectrum displayed corresponds to the concentration of the sample.

Therefore, based on the ability to complete basic mass spectrometry analysis, in order to further improve the analytical performance of the instrument, the degree of automated analysis, and the ease of operation, it is necessary to further improve the way the portable mass spectrometer regulates the number of ions in the ion trap.

Firstly, according to the characteristics of each parameter of the instrument, preset the corresponding initial value for the initial analysis when testing the sample; then use the initial value to perform the corresponding mass spectrometry analysis, record the mass spectrum of the initial analysis and the information of each parameter; finally based on the above Information, analyze the adjustment direction of each parameter that wants to achieve the preset index.

In step S103, the number of ions entering and being stored in the ion trap is analyzed, and various initial parameters are changed to adjust the number of ions.

That is to say, according to the information of the first sampling, the amount of ions entering the ion trap mass analyzer is analyzed and the number of ions stored in the ion trap is adjusted, thereby avoiding the space charge effect.

Further, in an embodiment of the present application, changing various initial parameters to adjust the number of ions includes but not limited to the following two adjustment methods, among which:

Based on the number of ions stored in the ion trap, the regulation of the number of ions stored in the ion trap is completed by changing the opening time of the radio frequency voltage on the ion trap;

Based on the number of ions stored in the ion trap, by changing the amplitude of the DC voltage on the gate electrode, the regulation of the number of ions stored in the ion trap is completed.

In other words, based on the number of ions stored in the previous ion trap, the control of the number of ions stored in the ion trap is achieved by controlling the opening time of the radio frequency voltage applied to the ion trap; based on the ions stored in the previous ion trap The quantity is controlled by controlling the DC voltage applied to the gate electrode to control the quantity of ions stored in the ion trap.

Specifically, as shown in Figure 3, the first method is: the sample to be analyzed enters the vacuum chamber after the discontinuous injection interface DAPI is opened. At this time, the movement of the ions is mainly controlled by the gas flow and the DC electric field during the injection. When the radio frequency voltage that restricts the radial movement of the ions is not added, most of the ions will fly out of the ion trap radially and will not reach the detector in the end. By changing the turn-on time of the radio frequency voltage, the amount of ions in the ion trap can be controlled, so that the amount of ions to be analyzed is more reasonable, and finally a spectrum with better sensitivity, resolution, and quality accuracy is obtained.

Specifically, as shown in Figure 4, the second method is: when other conditions are the same, the axial DC electric field can be changed by changing the voltage value added to the gate electrode Gate1, thereby controlling the ions entering the vacuum chamber. The axial movement of the ion trap, and then control the amount of ions that enter the ion trap and be stored, so that the amount of ions to be analyzed is more reasonable, and finally a spectrum with better sensitivity, resolution, and quality accuracy is obtained.

It should be noted that the adopted adjustment methods include but are not limited to the two methods mentioned above, which can be used independently or in combination, and can be executed one or more times according to actual detection conditions.

In step S104, the relationship model between each initial parameter and the number of ions is determined through a preliminary experiment, and based on the relationship model, gain compensation is performed on the spectral peak intensity obtained after adjustment to determine each optimal initial parameter.

Further, in an embodiment of the present application, before gain compensation, multiple standard solutions need to be used to establish and verify the effectiveness of the relationship model. If it is effective, perform gain compensation processing; if it is invalid, redesign the pre-experiment Determine a new relationship model, where the standard solution is a solution with multiple concentration gradients.

Specifically, the pre-experiment steps include: using a standard solution with a suitable concentration to establish a relationship model between the corresponding parameters of the change and the number of ions stored in the ion trap; using a series of standard solutions with a concentration gradient to verify the effectiveness of the model; Relation model, gain compensation for the number of ions adjusted by S103, so that the peak intensity in the mass spectrum obtained by adjusting the corresponding parameters corresponds to the sample concentration.

It should be noted that the reason and method for establishing the relationship model is: in order to make the peak intensity of the spectrum obtained after adjusting the parameters such as different radio frequency voltage turn-on time or different DC voltage difference to correspond to the sample concentration, use the concentration A more appropriate standard solution establishes a model of the relationship between this parameter and the amount of ions.

Specifically, as shown in FIG. 5, with the extension of the on-time of the radio frequency voltage, the ion intensity detected by the detector gradually decreases, and finally it is so low that the detector cannot detect a valid signal. As shown in Figure 6, as the DC voltage added to the gate electrode Gate1 increases, the ion intensity detected by the detector gradually decreases, and eventually it is so low that the detector cannot detect a valid signal.

In order to verify the effectiveness of using the method to control the number of ions stored in the ion trap, two methods were used to detect and a series of standard solutions with a series of concentrations. After calibration by the relationship model of Figures 5 and 6, Figures 7 and 6 can be obtained. Fig. 8 shows a graph of the change of peak intensity with concentration. ^{Specifically, the R 2} coefficients of the variation curve diagrams obtained by the method are all greater than 0.9, indicating that the embodiments of the present application can effectively adjust and detect the ions entering the ion trap mass analyzer, and the intensity of the output spectrum is consistent with that of the sample. The concentration corresponds.

In step S105, mass spectrometry is performed according to the optimal initial parameters, and a mass spectrum with the peak intensity corresponding to the sample concentration is output.

Specifically, based on the previous adjustment of the number of ions and gains stored in the ion trap of the discontinuous sampling mass spectrometer, the corresponding parameters in the discontinuous sampling mass spectrometer can be adjusted to the values most suitable for the current sample to be tested, Thus, a mass spectrum with better resolution and quality accuracy can be obtained.

As shown in Figure 9, the first column is the mass spectrum obtained without adjusting the number and gain of the ions stored in the ion trap, and the second column is the mass spectrum stored in the ion trap by controlling the turn-on time of the radio frequency voltage applied to the ion trap. The mass spectrum obtained after adjusting the number of ions and the corresponding gain. The third column is the mass spectrum obtained after adjusting the number of ions stored in the ion trap by controlling the DC voltage applied to the gate electrode and the corresponding gain adjustment. From the comparison of the three columns of data, it can be seen that the concentration range of the substance that can be detected by the discontinuous sampling mass spectrometer can cover 5 orders of magnitude, and it can maintain high resolution and quality accuracy.

The method for regulating the number of ions in the ion trap mass analyzer of the mass spectrometer proposed according to the embodiments of the present application is based on the basic principle of operating ions during the mass spectrometry analysis process, by controlling the opening time of the radio frequency voltage applied to the ion trap, and By controlling the DC voltage applied to the gate electrode and other parameters, the amount of ions stored in the ion trap is controlled, and then a certain gain compensation is performed on the peak intensity, which solves the problem of the portable mass spectrometer when testing unknown concentration samples and matrix samples on site. The continuous sampling method causes the problem of the space charge effect of the ion trap, which keeps the number of ions stored in the ion trap within an appropriate range, so that the discontinuous sampling mass spectrometer can detect each sample to be analyzed under optimal conditions , And the obtained peak intensity corresponds to the sample concentration.

Next, the system for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer according to the embodiments of the present application will be described with reference to the accompanying drawings.

Fig. 10 is a system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to an embodiment of the present application.

As shown in FIG. 10, the system 20 for regulating the number of ions in the ion trap mass analyzer of a mass spectrometer includes: an introduction module 201, an initial mass spectrometry analysis module 201, a control module 203, a gain compensation module 204 and an output module 205.

Wherein, the introduction module 100 is used to preset the opening time of the discontinuous sampling interface, and introduce the sample ions to be tested into the ion trap. The initial mass spectrometry analysis module 200 is used to perform initial mass spectrometry analysis on the sample ions to be tested, save and analyze various initial parameters, and output initial mass spectrum information. The control module 300 is used to analyze the number of ions that enter the ion trap and be stored, and change various initial parameters to control the number of ions stored in the ion trap. The gain compensation module 400 is used to determine the relationship model between the number of ions stored in the ion trap and various parameters after the change through preliminary experiments, and to perform gain compensation on the adjusted peak intensity based on the relationship model to determine various optimization parameters. The output module 500 is used for performing mass spectrometry analysis according to various optimal initial parameters, and outputting a mass spectrum with the peak intensity corresponding to the sample concentration.

Further, in an embodiment of the present application, the initial mass spectrometry analysis module includes: an acquisition unit for acquiring various parameter characteristics of the mass spectrometer; an initial mass spectrometry analysis unit for presetting corresponding initial values according to various parameter characteristics , Perform initial mass spectrometry analysis on the sample ion to be tested according to the initial value; the recording and analysis unit is used to record the initial parameters of the initial mass spectrometry analysis and the initial mass spectrum information, and analyze the adjustment direction of each initial parameter.

Further, in an embodiment of the present application, changing various initial parameters in the adjustment module to adjust the number of ions stored in the ion trap includes two adjustment methods. Among them, based on the number of ions stored in the ion trap, the number of ions stored in the ion trap is changed by changing the number of ions stored in the ion trap. The opening time of the radio frequency voltage is adjusted to the number of ions stored in the ion trap; based on the number of ions stored in the ion trap, the amplitude of the DC voltage on the gate electrode is changed to achieve the control of the number of ions stored in the ion trap.

The system for regulating the number of ions in the ion trap mass analyzer of the mass spectrometer according to the embodiments of the present application is based on the basic principle of operating ions during the mass spectrometry analysis process, by controlling the opening time of the radio frequency voltage applied to the ion trap, and The amount of ions stored in the ion trap is controlled by controlling parameters such as the DC voltage applied to the gate electrode, and then a certain gain compensation is performed on the peak intensity, so that the discontinuous injection mass spectrometer can be under optimal conditions Each sample to be analyzed is tested, and the peak intensity obtained corresponds to the concentration of the sample.

In addition, the terms "first" and "second" are only used for descriptive purposes, and cannot be understood as indicating or implying relative importance or implicitly indicating the number of indicated technical features. Therefore, the features defined with "first" and "second" may explicitly or implicitly include at least one of the features. In the description of the present application, "a plurality of" means at least two, such as two, three, etc., unless specifically defined otherwise.

In the description of this specification, the description with reference to the terms "embodiment", "example", etc. means that the specific feature, structure, material or characteristic described in conjunction with the embodiment or example is included in at least one embodiment or example of the present application . In this specification, the schematic representations of the above terms do not necessarily refer to the same embodiment or example. Moreover, the described specific features, structures, materials or characteristics can be combined in any one or more embodiments or examples in a suitable manner. In addition, those skilled in the art can combine and combine the different embodiments or examples and the features of the different embodiments or examples described in this specification without contradicting each other.

Although the embodiments of the present application have been shown and described above, it can be understood that the above-mentioned embodiments are exemplary and should not be construed as limitations to the present application. Those of ordinary skill in the art can comment on the foregoing within the scope of the present application. The embodiment undergoes changes, modifications, substitutions, and modifications.

Claims

A method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer is characterized in that it comprises the following steps:

Preset the opening time of the discontinuous injection interface to introduce the sample ions to be tested into the ion trap;

Perform initial mass spectrum analysis on the sample ions to be tested, save and analyze various initial parameters, and output initial mass spectrum information;

Analyzing the number of ions that have entered the ion trap and are stored, and changing the initial parameters to control the number of ions;

Determine the relationship model between the various initial parameters and the number of ions through preliminary experiments, and perform gain compensation on the spectral peak intensity obtained after adjustment based on the relationship model to determine the optimal initial parameters;

Perform mass spectrometry analysis according to the optimal initial parameters, and output a mass spectrum with the peak intensity corresponding to the sample concentration.
The method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 1, wherein the ion trap is a mass analyzer in an ion trap mass spectrometer using a discontinuous sampling interface, and when sampling The open time of the non-continuous injection port is fixed to control the change of each injection.
The method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 1, wherein the initial mass spectrometry analysis is performed on the sample ions to be tested, and various initial parameters are stored and analyzed, and the initial mass spectrum is output Picture information, further including:

Obtain various parameter characteristics of the mass spectrometer;

Preset corresponding initial values according to the characteristics of the various parameters, and perform initial mass spectrometry on the sample ions to be tested according to the initial values;

Record the various initial parameters of the initial mass spectrometry analysis and the initial mass spectrum information, and analyze the adjustment directions of the various initial parameters.
The method for adjusting the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 1, wherein said changing the initial parameters to adjust the number of ions includes two adjustment methods, wherein:

Based on the number of ions, the regulation of the number of ions is completed by changing the turn-on time of the radio frequency voltage on the ion trap;

Based on the number of ions, the regulation of the number of ions is completed by changing the amplitude of the DC voltage on the gate electrode.
The method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 4, characterized in that the two adjustment methods are used independently or in combination, and the number of executions is at least once.
The method for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 1, wherein before gain compensation, multiple standard solutions are used to establish and verify the validity of the relationship model. , The gain compensation process is executed, and if it is invalid, the pre-experiment is redesigned to determine a new relationship model, where the standard solution is a solution with multiple concentration gradients.
A system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer, which is characterized in that it comprises:

The introduction module is used to preset the opening time of the discontinuous injection interface and introduce the sample ions to be tested into the ion trap;

The initial mass spectrum analysis module is used to perform initial mass spectrum analysis on the sample ions to be tested, save and analyze various initial parameters, and output initial mass spectrum information;

A control module, used to analyze the number of ions that enter the ion trap and be stored, and change the initial parameters to control the number of ions;

The gain compensation module is used to determine the relationship model between the various initial parameters and the number of ions through preliminary experiments, and to perform gain compensation on the spectral peak intensity obtained after adjustment based on the relationship model to determine the optimal initial parameters ；

The output module is used for performing mass spectrometry analysis according to the optimal initial parameters, and outputting a mass spectrum with the peak intensity corresponding to the sample concentration.
The system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 7, wherein the initial mass spectrometry analysis module comprises:

The acquiring unit is used to acquire various parameter characteristics of the mass spectrometer;

An initial mass spectrometry unit, configured to preset corresponding initial values according to the various parameter characteristics, and perform initial mass spectrometry on the sample ions to be tested according to the initial values;

The recording and analysis unit is used to record the various initial parameters of the initial mass spectrometry analysis and the initial mass spectrum information, and analyze the adjustment direction of the various initial parameters.
The system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 7, characterized in that, changing the initial parameters in the control module to control the number of ions includes two adjustment methods, wherein:

Based on the number of ions, the regulation of the number of ions is completed by changing the turn-on time of the radio frequency voltage on the ion trap;

Based on the number of ions, the regulation of the number of ions is completed by changing the amplitude of the DC voltage on the gate electrode.
The system for regulating the number of ions in an ion trap mass analyzer of a mass spectrometer according to claim 9, characterized in that the two adjustment methods are used independently or in combination, and the number of executions is at least once.