Method, apparatus, terminal device and medium for optimizing resolution of ions in mass spectrum

Abstract

The application discloses a mass spectrum ion resolution optimization method and device, a terminal equipment and a storage medium. According to the automatic voltage adjustment of the resolution automatic optimization parameter of the triple quadrupole mass spectrum ion, the mass spectrum of each voltage corresponding to each voltage after the automatic voltage adjustment is obtained, and the trend of the ion resolution changing with the voltage is determined according to the mass spectrum. The optimal voltage value is selected according to the trend of the ion resolution changing with the voltage to generate a new mass spectrum scanning line. The triple quadrupole mass spectrum after the optimized ion resolution is obtained by scanning and collecting according to the new mass spectrum scanning line. The technical scheme can solve the technical problem that the adjustment mode of the direct current voltage of the instrument for improving the ion resolution of the mass spectrum is very complicated and the final adjustment effect is limited.

Description

Technical Field

[0001] This application relates to the field of mass spectrometry analysis technology, and in particular to a method, apparatus, terminal device, and storage medium for optimizing the resolution of ions in a mass spectrum. Background Technology

[0002] The resolution of ion spectra in triple quadrupole mass spectrometers is highly susceptible to the DC voltage applied during the scanning and acquisition process. Therefore, to improve the resolution of ion spectra, it is usually necessary to appropriately adjust the instrument's DC voltage.

[0003] In current implementations, the DC voltage adjustment of the instrument is manually controlled. This involves first adjusting the DC voltage to change the instrument's scanning state, thereby obtaining spectra at different resolutions. Then, based on the differences between the spectra before and after the modification, the DC voltage is adjusted again. This process is repeated until a higher-resolution spectrum is obtained, at which point the optimal DC voltage value is confirmed. However, because even small voltage changes can cause significant changes in the mass spectrometry signal, and manual intervention cannot accurately predict the trend of signal changes, manual DC voltage adjustment requires repeated modification of relevant parameters. Furthermore, since manual DC voltage adjustment assumes a linear relationship between DC voltage and mass number, it limits the ability to simultaneously improve ion resolution in the mass spectrum while failing to consider ion resolution in multiple regions within the scanning range. This results in consistently poor overall adjustment performance.

[0004] In summary, existing methods for adjusting the DC voltage of the instrument to improve the ion resolution of mass spectra are very cumbersome and ultimately achieve limited adjustment effects. Summary of the Invention

[0005] The main objective of this application is to provide a method, apparatus, terminal device, and storage medium for optimizing the resolution of ions in a mass spectrum, aiming to solve the technical problem that existing methods for adjusting the DC voltage of the instrument to improve the resolution of ions in a mass spectrum are very cumbersome and ultimately achieve limited adjustment effects.

[0006] To achieve the above objectives, embodiments of this application provide a method for optimizing the resolution of ions in a mass spectrum, the method comprising:

[0007] The voltage is automatically adjusted based on the resolution of the ions in the triple quadrupole mass spectrum.

[0008] Obtain the mass spectra corresponding to each voltage after automatic voltage adjustment, and determine the trend of ion resolution change with voltage based on the mass spectra.

[0009] The optimal voltage value is selected based on the trend of ion resolution changing with voltage to generate a new mass spectrometry scan line;

[0010] The new mass spectrometry scan lines were used to acquire triple quadrupole mass spectra with optimized ion resolution.

[0011] In some feasible embodiments, the automatic resolution optimization parameters include at least: voltage adjustment range and voltage adjustment step;

[0012] The step of automatically adjusting the voltage based on the resolution parameters of the triple quadrupole mass spectrometer ions includes:

[0013] According to the voltage adjustment step within the voltage adjustment range, the DC voltage of the triple quadrupole is automatically adjusted sequentially starting from the initial adjustment value;

[0014] The steps for obtaining the mass spectra corresponding to each voltage after automatic voltage adjustment include:

[0015] After each automatic voltage adjustment, a scan is performed based on the adjusted voltage and the default scan line to obtain the mass spectrum corresponding to the voltage after each automatic voltage adjustment.

[0016] In some feasible embodiments, after the step of obtaining the mass spectra corresponding to each voltage after automatic voltage adjustment, the method further includes:

[0017] The detection method checks whether the number of mass spectra obtained reaches a preset number threshold, wherein the preset number threshold is determined based on a pre-set number of spectrum accumulations;

[0018] The step of detecting whether the number of mass spectra obtained reaches a preset threshold includes:

[0019] The cumulative number of obtained mass spectra is determined, wherein 1 is added to the cumulative number of spectra each time the mass spectrum is obtained;

[0020] When the cumulative number of the number of spectra is detected to reach the cumulative number of spectra, it is determined that the number of mass spectra has reached the preset number threshold.

[0021] In some feasible embodiments, the step of determining the trend of ion resolution as a function of voltage based on each of the mass spectra includes:

[0022] When the number of mass spectra detected reaches the preset number threshold, each of the acquired mass spectra is preprocessed.

[0023] Ion resolution data determined from each of the preprocessed mass spectra, wherein the ion resolution data includes at least: ion resolution peak value and ion resolution peak intensity;

[0024] Based on the voltage value, ion resolution peak value, and ion resolution peak intensity corresponding to each of the mass spectra, the trend of ion resolution with voltage variation is determined.

[0025] In some feasible embodiments, the step of selecting the optimal voltage value to generate a new mass spectrometry scan line based on the trend of the ion resolution changing with voltage includes:

[0026] Multiple optimal voltage values ​​are selected based on the trend of ion resolution changing with voltage;

[0027] The initial wiring is obtained by connecting multiple optimal voltage values ​​in pairs according to the order of automatic voltage adjustment.

[0028] Connect the first optimal voltage value in the initial connection to the starting point of the default scan line, and connect the last optimal voltage value in the initial connection to the ending point of the default scan line to generate a new mass spectrometry scan line.

[0029] In some feasible embodiments, the step of selecting multiple optimal voltage values ​​based on the trend of ion resolution changing with voltage includes:

[0030] The trend of the ion resolution changing with voltage is visualized;

[0031] Multiple voltage value selection operations are received in the visual graphical interface that displays the trend;

[0032] The voltage values ​​corresponding to each of the multiple voltage value selection operations are sequentially determined as the optimal voltage value.

[0033] In some feasible embodiments, after the step of scanning and acquiring data according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution, the method further includes:

[0034] Determine whether the triple quadrupole mass spectrum after optimizing the ion resolution meets the preset ion resolution requirements;

[0035] If not, the new mass spectrometry scan line is used as the default scan line, and the step of automatically adjusting the voltage based on the resolution optimization parameters of the triple quadrupole mass spectrum ions is returned to repeat the resolution optimization of the mass spectrum ions until it is determined that the triple quadrupole mass spectrum after optimization of ion resolution meets the ion resolution requirements.

[0036] Furthermore, this application embodiment also provides a resolution optimization device for mass spectrum ions, the resolution optimization device for mass spectrum ions includes:

[0037] The voltage self-regulation module is used to automatically adjust the voltage based on the resolution of the ions in the triple quadrupole mass spectrum.

[0038] The determination module is used to acquire the mass spectra corresponding to each voltage after automatic voltage adjustment, and to determine the trend of ion resolution change with voltage based on each mass spectra.

[0039] The optimal voltage selection module is used to select the optimal voltage value based on the trend of the ion resolution changing with voltage to generate a new mass spectrometry scan line;

[0040] The scanning optimization module is used to perform scanning acquisition according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

[0041] Each functional module of the mass spectrum ion resolution optimization device provided in this application implements the steps of the mass spectrum ion resolution optimization method as described above during operation.

[0042] Furthermore, this application embodiment also provides a terminal device, the terminal device comprising: a resolution optimization device for mass spectrometer ions as described above, a memory, a processor, and a computer program stored in the memory and executable on the processor, the computer program being configured to implement the steps of the resolution optimization method for mass spectrometer ions as described above.

[0043] Furthermore, this application embodiment also provides a storage medium, which is a computer-readable storage medium, and stores a computer program thereon. When the computer program is executed by a processor, it implements the steps of the mass spectrum ion resolution optimization method as described above.

[0044] This application discloses a method, apparatus, terminal device, and storage medium for optimizing the resolution of ions in a mass spectrum. The method involves automatically adjusting the voltage based on automatic optimization parameters for the resolution of ions in a triple quadrupole mass spectrum; acquiring the mass spectra corresponding to each voltage after automatic voltage adjustment; determining the trend of ion resolution change with voltage based on each mass spectrum; selecting the optimal voltage value based on the trend of ion resolution change with voltage to generate a new mass spectrometry scan line; and performing scanning and acquisition according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

[0045] Therefore, in this embodiment, the voltage can be automatically adjusted based on the resolution optimization parameters of the triple quadrupole mass spectrum ions, which are filled in by the user. Furthermore, mass spectra at various voltages are acquired during automatic voltage adjustment, and a trend graph of ion resolution versus voltage is generated based on these mass spectra. In this way, the user can select the optimal voltage value based on the trend graph, or further refine the voltage adjustment, thereby optimizing the process of adjusting the DC voltage of the triple quadrupole and facilitating the analysis of the impact of voltage changes.

[0046] Furthermore, in this embodiment, a new scan line is formed based on the selected optimal voltage value, thereby obtaining a triple quadrupole mass spectrum with optimized ion resolution based on this new scan line. Moreover, the new scan line formed based on the selected optimal voltage value can be non-linear, allowing for simultaneous scanning to obtain the optimal voltage values ​​for each region and optimize ion resolution.

[0047] That is, the embodiments of this application optimize the process of adjusting the DC voltage of the triple quadrupole, so that the user only needs to fill in the relevant parameters to automatically adjust the voltage. In addition, the embodiments of this application can also take into account the optimization of ion resolution by simultaneously scanning to obtain the optimal voltage value of each region, thereby effectively improving the adjustment effect. Attached Figure Description

[0048] Figure 1 This is a schematic diagram of the structure of the operating device of the hardware operating environment involved in the embodiments of this application;

[0049] Figure 2 This is a schematic flowchart of the steps for optimizing the resolution of ions in a mass spectrum in the first embodiment of the present application.

[0050] Figure 3 This is a schematic diagram of the application process involved in one embodiment of the present application.

[0051] Figure 4 This is a schematic diagram of an embodiment of the mass spectrum ion resolution optimization device provided in this application.

[0052] The realization of the purpose, functional features and advantages of this application will be further explained in conjunction with the embodiments and with reference to the accompanying drawings. Detailed Implementation

[0053] It should be understood that the specific embodiments described herein are merely illustrative of this application and are not intended to limit this application.

[0054] Reference Figure 1 , Figure 1 This is a schematic diagram of the operating device structure of the hardware operating environment involved in the embodiments of this application.

[0055] In this embodiment, the hardware operating environment of the present application embodiment can be a terminal device including a resolution optimization device for mass spectrometry ions. The terminal device can be a triple quadrupole mass spectrometer, or a terminal device in which the instrument is integrated internally or externally.

[0056] like Figure 1 As shown, the operating device may include: a processor 1001, such as a central processing unit (CPU), a communication bus 1002, a user interface 1003, a network interface 1004, and a memory 1005. The communication bus 1002 is used to enable communication between these components. The user interface 1003 may include a display screen or an input unit such as a keyboard; optionally, the user interface 1003 may also include a standard wired interface or a wireless interface. The network interface 1004 may optionally include a standard wired interface or a wireless interface (such as a Wi-Fi interface). The memory 1005 may be a high-speed random access memory (RAM) or a stable non-volatile memory (NVM), such as a disk drive. The memory 1005 may also optionally be a storage device independent of the aforementioned processor 1001.

[0057] Those skilled in the art will understand that Figure 1 The structure shown does not constitute a limitation on the operating equipment and may include more or fewer components than shown, or combine certain components, or have different component arrangements.

[0058] like Figure 1 As shown, the memory 1005, which serves as a storage medium, may include an operating system, a data storage module, a network communication module, a user interface module, and computer programs.

[0059] exist Figure 1 In the illustrated operating device, the network interface 1004 is mainly used for data communication with other devices; the user interface 1003 is mainly used for data interaction with the user; the processor 1001 and memory 1005 in the operating device of this application can be disposed in the operating device, and the operating device calls the computer program stored in the memory 1005 through the processor 1001 and performs the following operations:

[0060] The voltage is automatically adjusted based on the resolution of the ions in the triple quadrupole mass spectrum.

[0061] Obtain the mass spectra corresponding to each voltage after automatic voltage adjustment, and determine the trend of ion resolution change with voltage based on the mass spectra.

[0062] The optimal voltage value is selected based on the trend of ion resolution changing with voltage to generate a new mass spectrometry scan line;

[0063] The new mass spectrometry scan lines were used to acquire triple quadrupole mass spectra with optimized ion resolution.

[0064] Optionally, the automatic resolution optimization parameters include at least: voltage adjustment range and voltage adjustment step; the processor 1001 can call the computer program stored in the memory 1005 and also perform the following operations:

[0065] According to the voltage adjustment step within the voltage adjustment range, the DC voltage of the triple quadrupole is automatically adjusted sequentially starting from the initial adjustment value;

[0066] The processor 1001 can call the computer program stored in the memory 1005, and after executing the step of acquiring the mass spectrum corresponding to each voltage after automatic voltage adjustment, it also performs the following operations:

[0067] The detection method checks whether the number of mass spectra obtained reaches a preset number threshold, wherein the preset number threshold is determined based on a pre-set number of spectrum accumulations;

[0068] Processor 1001 can call computer programs stored in memory 1005 and also perform the following operations:

[0069] The cumulative number of obtained mass spectra is determined, wherein 1 is added to the cumulative number of spectra each time the mass spectrum is obtained;

[0070] When the cumulative number of the number of spectra is detected to reach the cumulative number of spectra, it is determined that the number of mass spectra has reached the preset number threshold.

[0071] Optionally, the processor 1001 may call a computer program stored in the memory 1005 and also perform the following operations:

[0072] When the number of mass spectra detected reaches the preset number threshold, each of the acquired mass spectra is preprocessed.

[0073] Ion resolution data determined from each of the preprocessed mass spectra, wherein the ion resolution data includes at least: ion resolution peak value and ion resolution peak intensity;

[0074] Based on the voltage value, ion resolution peak value, and ion resolution peak intensity corresponding to each of the mass spectra, the trend of ion resolution with voltage variation is determined.

[0075] Optionally, the processor 1001 may call a computer program stored in the memory 1005 and also perform the following operations:

[0076] Multiple optimal voltage values ​​are selected based on the trend of ion resolution changing with voltage;

[0077] The initial wiring is obtained by connecting multiple optimal voltage values ​​in pairs according to the order of automatic voltage adjustment.

[0078] Connect the first optimal voltage value in the initial connection to the starting point of the default scan line, and connect the last optimal voltage value in the initial connection to the ending point of the default scan line to generate a new mass spectrometry scan line.

[0079] Optionally, the processor 1001 may call a computer program stored in the memory 1005 and also perform the following operations:

[0080] The trend of the ion resolution changing with voltage is visualized;

[0081] Multiple voltage value selection operations are received in the visual graphical interface that displays the trend;

[0082] The voltage values ​​corresponding to each of the multiple voltage value selection operations are sequentially determined as the optimal voltage value.

[0083] Optionally, the processor 1001 may call a computer program stored in the memory 1005, and after executing the step of scanning and acquiring according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution, further perform the following operations:

[0084] Determine whether the triple quadrupole mass spectrum after optimizing the ion resolution meets the preset ion resolution requirements;

[0085] If not, the new mass spectrometry scan line is used as the default scan line, and the step of automatically adjusting the voltage based on the resolution optimization parameters of the triple quadrupole mass spectrum ions is returned to repeat the resolution optimization of the mass spectrum ions until it is determined that the triple quadrupole mass spectrum after optimization of ion resolution meets the ion resolution requirements.

[0086] Based on the hardware operating environment and operating device structure involved in the above-described embodiments of this application, an overall concept for the mass spectrum ion resolution optimization method provided by the embodiments of this application is proposed.

[0087] The resolution of ion spectra in triple quadrupole mass spectrometers is highly susceptible to the DC voltage applied during the scanning and acquisition process. Therefore, to improve the resolution of ion spectra, it is usually necessary to appropriately adjust the instrument's DC voltage.

[0088] In related implementations, the adjustment of the instrument's DC voltage is manually controlled. This involves first controlling the DC voltage to alter the instrument's scanning state, thereby obtaining spectra at different resolutions. Then, based on the differences between the spectra before and after the modification, the DC voltage is adjusted again. This process is repeated until a higher-resolution spectrum is obtained, at which point the optimal DC voltage value is confirmed. However, since even small changes in voltage can cause significant changes in the mass spectrometry signal, and manual intervention cannot accurately predict the trend of signal changes, manual control of the DC voltage requires repeated adjustments to relevant parameters. Furthermore, since manual DC voltage adjustment assumes a linear relationship between DC voltage and mass number, it limits the ability to simultaneously improve the ion resolution of the mass spectrum while failing to consider the ion resolution of multiple regions within the scanning range. This results in consistently poor overall adjustment performance.

[0089] In summary, existing methods for adjusting the DC voltage of the instrument to improve the ion resolution of mass spectra are very cumbersome and ultimately achieve limited adjustment effects.

[0090] To address the technical problem that the aforementioned methods of adjusting the instrument's DC voltage to improve ion resolution in mass spectra are cumbersome and yield limited results, this application proposes a method for optimizing ion resolution in mass spectra. This method involves automatically adjusting the voltage based on automatic optimization parameters for triple quadrupole mass spectra; acquiring the mass spectra corresponding to each voltage after automatic voltage adjustment; determining the trend of ion resolution change with voltage based on each mass spectrum; selecting the optimal voltage value based on this trend to generate a new mass spectrometry scan line; and performing scanning and acquisition according to the new scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

[0091] Therefore, in this embodiment, the voltage can be automatically adjusted based on the resolution optimization parameters of the triple quadrupole mass spectrum ions, which are filled in by the user. Furthermore, mass spectra at various voltages are acquired during automatic voltage adjustment, and a trend graph of ion resolution versus voltage is generated based on these mass spectra. In this way, the user can select the optimal voltage value based on the trend graph, or further refine the voltage adjustment, thereby optimizing the process of adjusting the DC voltage of the triple quadrupole and facilitating the analysis of the impact of voltage changes.

[0092] Furthermore, in this embodiment, a new scan line is formed based on the selected optimal voltage value, thereby obtaining a triple quadrupole mass spectrum with optimized ion resolution based on this new scan line. Moreover, the new scan line formed based on the selected optimal voltage value can be non-linear, allowing for simultaneous scanning to obtain the optimal voltage values ​​for each region and optimize ion resolution.

[0093] That is, the embodiments of this application optimize the process of adjusting the DC voltage of the triple quadrupole, so that the user only needs to fill in the relevant parameters to automatically adjust the voltage. In addition, the embodiments of this application can also take into account the optimization of ion resolution by simultaneously scanning to obtain the optimal voltage value of each region, thereby effectively improving the adjustment effect.

[0094] Based on the overall concept of the mass spectrum ion resolution optimization method provided in the above embodiments of this application, further embodiments of the mass spectrum ion resolution optimization method are proposed.

[0095] It should be noted that the mass spectrum ion resolution optimization method provided in this application is applied to the aforementioned operating device, which can be a terminal device including a mass spectrum ion resolution optimization device. It should be understood that, based on different design needs in practical applications, the mass spectrum ion resolution optimization method provided in this application can also be applied to other terminal devices in different feasible embodiments. However, for ease of understanding and explanation of the technical solution, the following description will use a terminal device including a mass spectrum ion resolution optimization device as the implementing entity to illustrate the mass spectrum ion resolution optimization method provided in this application.

[0096] Please refer to Figure 2 , Figure 2 This is a flowchart illustrating the steps of the first embodiment of the present application. It should be noted that although the logical order is shown in the flowchart, in some cases, the mass spectrometry ion resolution optimization method of this application may, of course, execute the steps shown or described in a different order than that shown here.

[0097] like Figure 2 As shown, in the first embodiment of the scheme of this application, the method for optimizing the resolution of ions in a mass spectrum provided by this application may include the following steps:

[0098] Step S10: Automatically adjust the voltage by automatically optimizing parameters based on the resolution of ions in the triple quadrupole mass spectrum.

[0099] In this embodiment, when the terminal device adjusts the DC voltage of the triple quadrupole mass spectrometer to optimize the ion resolution of the mass spectrum, the user pre-sets the automatic resolution optimization parameters used to optimize the ion resolution of the mass spectrum. Then, the terminal device can automatically adjust the DC voltage of the triple quadrupole mass spectrometer based on the automatic resolution optimization parameters themselves or one or more of the automatic resolution optimization parameters.

[0100] Step S20: Obtain the mass spectrum corresponding to each voltage after automatic voltage adjustment, and determine the trend of ion resolution change with voltage based on each mass spectrum.

[0101] In this embodiment, when the terminal device automatically adjusts the DC voltage of the triple quadrupole mass spectrometer, after each adjustment to obtain a voltage, the terminal device performs scanning and acquisition according to that voltage to generate a mass spectrum corresponding to that voltage. Thus, by acquiring the mass spectrum corresponding to each automatically adjusted voltage, the terminal device analyzes the mass spectrum to determine the trend of ion resolution of the triple quadrupole mass spectrum as a function of voltage.

[0102] Step S30: Select the optimal voltage value based on the trend of ion resolution changing with voltage to generate a new mass spectrometry scan line;

[0103] In this embodiment, after determining the trend of ion resolution of triple quadrupole mass spectrometer ions changing with voltage, the terminal device can further select the optimal voltage value automatically or manually based on this trend, thereby generating a new mass spectrometry scan line based on each optimal voltage value.

[0104] It should be noted that, in this embodiment and other feasible embodiments described below, the terminal device determines the trend of the ion resolution of the triple quadrupole mass spectrum as a function of voltage. Specifically, this can be a trend graph showing the change of the voltage value corresponding to the ion to be optimized in the entire default scan line with the adjusted voltage. The terminal device can automatically select the optimal voltage value based on this trend graph.

[0105] Step S40: Perform scanning and acquisition according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

[0106] In this embodiment, after the terminal device selects the optimal voltage value to generate a new mass spectrometry scan line, it can further use the new mass spectrometry scan line to perform scanning and acquisition operations, thereby obtaining a triple quadrupole mass spectrum with optimized ion resolution.

[0107] In this embodiment, the method for optimizing the resolution of ions in the mass spectrum of this application allows for automatic voltage adjustment based on the user-defined automatic optimization parameters for the resolution of ions in the triple quadrupole mass spectrum. Furthermore, while automatically adjusting the voltage, mass spectra at various voltages are acquired, and a trend graph of ion resolution versus voltage is generated based on these mass spectra. Thus, the user can select the optimal voltage value based on the trend graph, or further refine the voltage adjustment, thereby optimizing the process of adjusting the DC voltage of the triple quadrupole and facilitating the analysis of the impact of voltage changes.

[0108] Furthermore, in this embodiment, a new scan line is formed based on the selected optimal voltage value, thereby obtaining a triple quadrupole mass spectrum with optimized ion resolution based on this new scan line. Moreover, the new scan line formed based on the selected optimal voltage value can be non-linear, allowing for simultaneous scanning to obtain the optimal voltage values ​​for each region and optimize ion resolution.

[0109] That is, the embodiments of this application optimize the process of adjusting the DC voltage of the triple quadrupole, so that the user only needs to fill in the relevant parameters to automatically adjust the voltage. In addition, the embodiments of this application can also take into account the optimization of ion resolution by simultaneously scanning to obtain the optimal voltage value of each region, thereby effectively improving the adjustment effect.

[0110] Optionally, in this embodiment and other feasible embodiments described below, the above-mentioned user-defined resolution automatic optimization parameters include at least: voltage adjustment range and voltage adjustment step. Here, voltage adjustment range refers to the width of voltage adjustment based on the default scan line voltage; voltage adjustment step refers to the step size of voltage adjustment, whereby the terminal device gradually adds a step voltage value starting from the default voltage until the adjustment range is completed.

[0111] Based on this, in some feasible embodiments, step S10 above, which involves automatically adjusting the voltage according to the resolution optimization parameters of the triple quadrupole mass spectrometer ions, may include:

[0112] According to the voltage adjustment steps within the voltage adjustment range, the DC voltage of the triple quadrupole is automatically adjusted sequentially starting from the initial adjustment value.

[0113] In this embodiment, the terminal device receives resolution auto-optimization parameters set by the user, including at least the voltage adjustment range and voltage adjustment step, based on the human-computer interaction interface provided to the user to optimize the resolution of ions in the triple quadrupole mass spectrum. Then, the terminal device can gradually add step voltage values ​​according to the voltage adjustment step within the voltage adjustment range, starting from the adjustment start value, thereby realizing the automatic adjustment of the DC voltage of the triple quadrupole in sequence.

[0114] It should be noted that in this embodiment and other feasible embodiments described below, the adjustment starting value can also be referred to as the default voltage. This adjustment starting value or default voltage is the voltage value corresponding to the default scan line initially used by the terminal device during the process of optimizing the ion resolution of the mass spectrum of the instrument. When the user-set automatic resolution optimization parameters also include a voltage adjustment target, the terminal device can directly use the voltage adjustment target as the adjustment starting value. Optionally, the voltage adjustment target refers to the voltage value corresponding to the ions that need to be optimized in the entire default scan line.

[0115] In this embodiment, the method for optimizing the resolution of ions in the mass spectrum of this application automatically adjusts the voltage by setting a voltage adjustment range and a voltage adjustment step, which effectively reduces the tediousness of manual operation. Furthermore, setting the voltage according to the step and range allows the terminal device to acquire more comprehensive data for mass spectrometry analysis.

[0116] Furthermore, in some feasible embodiments, the step S20 described above, "obtaining the mass spectrum corresponding to each voltage after automatic voltage adjustment," may include:

[0117] After each automatic voltage adjustment, a scan is performed based on the adjusted voltage and the default scan line to obtain the mass spectrum corresponding to the voltage after each automatic voltage adjustment.

[0118] In this embodiment, when the terminal device automatically adjusts the DC voltage of the triple quadrupole mass spectrometer, after obtaining a voltage through automatic adjustment, the terminal device performs scanning and acquisition according to that voltage and the currently used default scan line, thereby generating a mass spectrum corresponding to that voltage. Thus, by using the default scan line and the adjusted voltage to perform scanning and acquisition to generate a mass spectrum after each automatic voltage adjustment, the mass spectrum corresponding to the voltage after each automatic voltage adjustment can be obtained.

[0119] Optionally, in step S40 above, after scanning and acquiring the triple quadrupole mass spectrum with optimized ion resolution according to the new mass spectrometry scan line, the mass spectrum ion resolution optimization method of this application may further include:

[0120] Determine whether the triple quadrupole mass spectrum after optimizing the ion resolution meets the preset ion resolution requirements;

[0121] If not, the new mass spectrometry scan line is used as the default scan line, and the step of automatically adjusting the voltage based on the resolution optimization parameters of the triple quadrupole mass spectrum ions is returned to repeat the resolution optimization of the mass spectrum ions until it is determined that the triple quadrupole mass spectrum after optimization of ion resolution meets the ion resolution requirements.

[0122] In this embodiment, after the terminal device performs scanning and acquisition using the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution, the terminal device further detects and determines whether the triple quadrupole mass spectrum with optimized ion resolution meets the user's preset ion resolution requirements. If the detection determines that the current triple quadrupole mass spectrum with optimized ion resolution meets the user's preset ion resolution requirements, the terminal device indicates that the current ion resolution optimization operation is complete and ends the current optimization operation. However, if the detection determines that the current triple quadrupole mass spectrum with optimized ion resolution does not meet the user's preset ion resolution requirements, the terminal device continues to perform the ion resolution optimization operation.

[0123] That is, if the triple quadrupole mass spectrum after optimizing the ion resolution still does not meet the preset ion resolution requirement, the terminal device will use the newly obtained mass spectrum scan line as the default scan line, and then return to execute step S10, as well as steps S20, S30, and S40 after executing step S10. In this way, by repeatedly performing the mass spectrum ion resolution optimization operation, until the terminal device finally detects and determines that the triple quadrupole mass spectrum after optimizing the ion resolution has met the user's preset ion resolution requirement.

[0124] Furthermore, based on the first embodiment of the mass spectrum ion resolution optimization method of this application described above, a second embodiment of the mass spectrum ion resolution optimization method of this application is proposed.

[0125] In the second embodiment of the mass spectrum ion resolution optimization method of this application, after the above-mentioned step of "obtaining the mass spectrum corresponding to each voltage after automatic voltage adjustment", the mass spectrum ion resolution optimization method of this application may further include:

[0126] The detection method checks whether the number of mass spectra obtained reaches a preset number threshold, wherein the preset number threshold is determined based on a pre-set number of spectrum accumulations;

[0127] In this embodiment, after acquiring multiple mass spectra corresponding to the voltages after automatic voltage adjustment, the terminal device detects whether the total number of all acquired mass spectra has reached a preset threshold.

[0128] It should be noted that in this embodiment and other feasible embodiments described below, the aforementioned preset quantity threshold can be determined based on the number of spectrum accumulations preset by the user. Specifically, the number of spectrum accumulations can be one of the resolution automatic optimization parameters preset by the user. The number of spectrum accumulations refers to the number of mass spectra acquired by triple quadrupole scanning under the same voltage.

[0129] Optionally, in some feasible embodiments, the step of "detecting whether the number of acquired mass spectra reaches a preset number threshold" may include:

[0130] The cumulative number of obtained mass spectra is determined, wherein 1 is added to the cumulative number of spectra each time the mass spectrum is obtained;

[0131] When the cumulative number of the number of spectra is detected to reach the cumulative number of spectra, it is determined that the number of mass spectra has reached the preset number threshold.

[0132] In this embodiment, each time the terminal device acquires a mass spectrum corresponding to the automatically regulated voltage, it increments the cumulative count of the corresponding mass spectrum by 1. Based on this, when the terminal device acquires multiple mass spectra corresponding to the automatically regulated voltage and detects the number of acquired mass spectra, it can first determine the cumulative count of all currently acquired mass spectra.

[0133] Subsequently, the terminal device further detects whether the cumulative number of the spectrum count has reached the user-preset spectrum accumulation count. Thus, when the cumulative number of the spectrum count reaches the spectrum accumulation count, the terminal device can determine that the total number of mass spectra obtained has reached the preset number threshold corresponding to the spectrum accumulation count.

[0134] In this embodiment, the mass spectrum ion resolution optimization method of this application can reduce the signal fluctuation error when calculating the resolution in subsequent peak finding by setting the number of spectrum accumulations and accumulating after multiple acquisitions.

[0135] Optionally, the step of "determining the trend of ion resolution as a function of voltage based on each of the mass spectra" in step S20 above may include:

[0136] When the number of mass spectra detected reaches the preset number threshold, each of the acquired mass spectra is preprocessed.

[0137] Ion resolution data determined from each of the preprocessed mass spectra, wherein the ion resolution data includes at least: ion resolution peak value and ion resolution peak intensity;

[0138] Based on the voltage value, ion resolution peak value, and ion resolution peak intensity corresponding to each of the mass spectra, the trend of ion resolution with voltage variation is determined.

[0139] In this embodiment, when the terminal device detects that the number of mass spectra acquired has reached a preset threshold set by the user, it immediately begins spectral analysis based on these mass spectra to generate the aforementioned trend graph of ion resolution versus voltage. Specifically, the terminal device further preprocesses each of the acquired mass spectra, and then determines ion resolution data, including at least the ion resolution peak value and ion resolution peak intensity, from each preprocessed mass spectrum. Therefore, based on the voltage value, ion resolution peak value, and ion resolution peak intensity corresponding to each mass spectrum, the terminal device can determine and generate the trend graph of ion resolution versus voltage.

[0140] It should be noted that, in this embodiment and in other feasible embodiments described below, the preprocessing performed by the terminal device on the mass spectrum includes, but is not limited to, baseline removal and Gaussian smoothing to remove noise and baseline from the mass spectrum.

[0141] Optionally, in other feasible embodiments, the terminal device can also perform real-time preprocessing of the mass spectrum and determine the ion resolution peak value and ion resolution peak intensity after each automatic voltage adjustment and scanning acquisition based on the adjusted voltage and default scan line. Based on the voltage value, ion resolution peak value, and ion resolution peak intensity of the mass spectrum, and the voltage value, ion resolution peak value, and ion resolution peak intensity of the previously acquired mass spectrum, a trend graph is gradually formed to display in real-time the changes in peak information of the adjustment target as the voltage changes.

[0142] In this embodiment, the mass spectrum ion resolution optimization method of this application effectively eliminates noise interference by smoothing and baseline removal of the spectrum, thereby improving the accuracy of subsequent resolution calculations. Furthermore, the mass spectrum ion resolution optimization method of this application generates a trend graph by recording the peak intensity and resolution corresponding to the adjustment target at various voltages, making the adjustment results clearer and facilitating users to obtain the optimal voltage value that meets their needs.

[0143] Furthermore, based on the first and / or second embodiments of the mass spectrum ion resolution optimization method of this application described above, a third embodiment of the mass spectrum ion resolution optimization method of this application is proposed.

[0144] In the third embodiment of the mass spectrum ion resolution optimization method of this application, step S30 above, which selects the optimal voltage value to generate a new mass spectrum scan line based on the trend of ion resolution changing with voltage, may include:

[0145] Multiple optimal voltage values ​​are selected based on the trend of ion resolution changing with voltage;

[0146] The initial wiring is obtained by connecting multiple optimal voltage values ​​in pairs according to the order of automatic voltage adjustment.

[0147] Connect the first optimal voltage value in the initial connection to the starting point of the default scan line, and connect the last optimal voltage value in the initial connection to the ending point of the default scan line to generate a new mass spectrometry scan line.

[0148] In this embodiment, when the terminal device selects the optimal voltage value to generate a new mass spectrometry scan line based on the aforementioned trend of ion resolution changing with voltage, it first automatically or manually selects multiple optimal voltage values ​​according to this trend. Then, following the order of automatic voltage adjustment, it sequentially connects the multiple optimal voltage values ​​in pairs to obtain an initial connection line containing only the optimal voltage values. Finally, the terminal device connects the first optimal voltage value in the initial connection line to the starting point of the default scan line currently used by the terminal device, and connects the last optimal voltage value in the initial connection line to the ending point of the default scan line to generate a new mass spectrometry scan line.

[0149] In this embodiment, the mass spectrum ion resolution optimization method of this application can effectively average the resolution of each position in the entire mass spectrum by connecting the optimal voltage of each adjustment target to form a new mass spectrum scan line, thereby improving the accuracy of subsequent samples.

[0150] Optionally, the step of "selecting multiple optimal voltage values ​​based on the trend of ion resolution changing with voltage" may include:

[0151] The trend of the ion resolution changing with voltage is visualized;

[0152] Multiple voltage value selection operations are received in the visual graphical interface that displays the trend;

[0153] The voltage values ​​corresponding to each of the multiple voltage value selection operations are sequentially determined as the optimal voltage value.

[0154] In this embodiment, when the user manually selects the optimal voltage value, the terminal device first uses its user-facing human-computer interaction interface to visualize the trend of ion resolution changing with voltage in the form of a chart. In this way, the user can clearly understand, through this visualized chart of the trend of ion resolution changing with voltage, how the adjustment target of adjusting the triple quadrupole DC voltage changes with the voltage when optimizing ion resolution.

[0155] Furthermore, based on the first, second, and / or third embodiments of the mass spectrum ion resolution optimization method of this application described above, a preferred embodiment of the mass spectrum ion resolution optimization method of this application is proposed.

[0156] Please refer to Figure 3 In a preferred embodiment of the mass spectrum ion resolution optimization method of this application, the mass spectrum ion resolution optimization method of this application can be implemented according to the process shown in steps S1 to S9 below, specifically as follows:

[0157] Step S1: The user fills in the automatic resolution optimization parameters on the terminal device, including: spectral accumulation count, default scan line coefficients, voltage adjustment range, voltage adjustment step, and adjustment target. Here: Spectral accumulation count refers to the number of mass spectra acquired at the same voltage. Default scan line coefficients refer to the coefficients a and b of the linear scan line; the terminal device uses these two coefficients to obtain a linear scan line. Voltage adjustment range refers to the width of voltage adjustment that can be performed based on the default scan line voltage. Voltage adjustment step refers to the step size of the voltage adjustment; the terminal device gradually increases the step voltage value from the default voltage until all feasible adjustments within the voltage adjustment range are completed. Adjustment target refers to the voltage value corresponding to the ion that needs to be optimized along the entire scan line; the terminal device typically uses this as the starting value for adjustment.

[0158] Step S2: The terminal automatically optimizes the voltage adjustment step in the resolution parameters according to the user input, sets the voltage value from the above-mentioned adjustment start value, and starts the scanning operation after the voltage is set to obtain the mass spectrum corresponding to the voltage.

[0159] Step S3: Obtain the mass spectrum corresponding to the adjusted voltage, and then wait for the cumulative number of spectra corresponding to the mass spectrum to reach the user-preset cumulative number.

[0160] Step S4: After the number of accumulated spectra corresponding to all acquired mass spectra reaches the required accumulation count, the terminal device marks the corresponding voltage value of the accumulated mass spectrum. Simultaneously, the terminal device also performs baseline removal and Gaussian smoothing on the acquired mass spectrum to remove noise and baseline.

[0161] Step S5: The terminal device performs peak finding on the mass spectrum after baseline removal and Gaussian smoothing to obtain a peak list. Then, according to the user-preset adjustment target, the terminal device finds and records the ion resolution peak value and ion resolution peak intensity corresponding to the adjustment target.

[0162] Step S6: After the terminal device completes all automatic voltage adjustment settings, it can generate a trend graph based on the recorded voltage value, the ion resolution peak value and the ion resolution peak intensity corresponding to the adjustment target. The trend graph shows the change of peak information of the adjustment target with voltage changes.

[0163] Step S7: Based on step S6, the terminal device can automatically identify and analyze the optimal voltage value according to the change of ion resolution with voltage. Alternatively, the terminal device can visualize the trend graph to the user, allowing the user to manually select the optimal voltage value and fill it in.

[0164] Step S8: Based on step S7, the terminal device selects the optimal voltage value corresponding to each adjustment target, and then connects the two points of the selected optimal voltage value according to the order of the adjustment targets. The first point of the connection is connected to the starting point of the default scan line, and the last point of the connection is connected to the ending point of the default scan line to form a new scan line.

[0165] Step S9: Based on step S8, the terminal device responds to user instructions to use new scan lines to scan and acquire a mass spectrum with optimized ion resolution. The user can then review the obtained mass spectrum to see if it meets the predetermined ion resolution requirements. If it is determined that the ion resolution requirements are not met and further optimization is needed, the terminal device can use the new scan lines generated in step S8 as the default scan lines and start optimizing again from step S2. This process is repeated until the final mass spectrum has the required ion resolution.

[0166] Furthermore, this application also provides a resolution optimization device for ions in a mass spectrum. Please refer to... Figure 4 The mass spectrum ion resolution optimization device provided in this application includes:

[0167] The voltage self-regulation module 10 is used to automatically adjust the voltage based on the resolution of the ions in the triple quadrupole mass spectrum by automatically optimizing the parameters.

[0168] The determination module 20 is used to acquire the mass spectrum corresponding to each voltage after automatic voltage adjustment, and to determine the trend of ion resolution change with voltage based on each mass spectrum.

[0169] The optimal voltage selection module 30 is used to select the optimal voltage value based on the trend of the ion resolution changing with voltage to generate a new mass spectrometry scan line;

[0170] The scanning optimization module 40 is used to perform scanning acquisition according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

[0171] Optionally, the resolution automatic optimization parameters include at least: voltage adjustment range and voltage adjustment step; the voltage self-adjustment module 10 is further configured to automatically adjust the DC voltage of the triple quadrupole in sequence according to the voltage adjustment step within the voltage adjustment range, starting from the self-adjustment start value;

[0172] The determination module 20 is also used to perform scanning and acquisition according to the adjusted voltage and the default scan line after each automatic voltage adjustment, so as to obtain the mass spectrum corresponding to the voltage after each automatic voltage adjustment.

[0173] Optionally, the resolution optimization device for mass spectra ions in this application further includes:

[0174] The detection module is used to detect whether the number of acquired mass spectra reaches a preset number threshold, wherein the preset number threshold is determined based on a pre-set number of spectrum accumulations;

[0175] The detection module includes:

[0176] A counting unit is used to determine the cumulative number of spectra obtained from the mass spectrum, wherein 1 is added to the cumulative number of spectra each time the mass spectrum is obtained;

[0177] The first determining unit is used to determine that the number of mass spectra has reached the preset number threshold when the cumulative number of the number of spectra is detected to reach the cumulative number of spectra.

[0178] Optionally, module 20 is defined, including:

[0179] A preprocessing unit is used to preprocess each of the acquired mass spectra when the number of mass spectra detected reaches the preset number threshold.

[0180] The second determining unit is used to determine ion resolution data from each of the preprocessed mass spectra, wherein the ion resolution data includes at least: ion resolution peak value and ion resolution peak intensity.

[0181] The third determining unit is used to determine the trend of ion resolution with voltage change based on the voltage value corresponding to each of the mass spectra, the ion resolution peak value, and the ion resolution peak intensity.

[0182] Optionally, the optimal voltage selection module 30 includes:

[0183] A voltage value selection unit is used to select multiple optimal voltage values ​​based on the trend of the ion resolution changing with voltage.

[0184] The first wiring processing unit is used to connect multiple optimal voltage values ​​in pairs in the order of automatic voltage adjustment to obtain the initial wiring.

[0185] The second connection processing unit is used to connect the first optimal voltage value in the initial connection to the starting point of the default scan line, and to connect the last optimal voltage value in the initial connection to the ending point of the default scan line, so as to generate a new mass spectrometry scan line.

[0186] Optionally, the voltage value selection unit is further configured to visualize the trend of the ion resolution changing with voltage; receive multiple voltage value selection operations in the visualization graphical interface displaying the trend; and sequentially determine the voltage value corresponding to each of the multiple voltage value selection operations as the optimal voltage value.

[0187] Optionally, the resolution optimization device for mass spectra ions provided in this application further includes:

[0188] The requirement determination module is used to determine whether the triple quadrupole mass spectrum after optimizing the ion resolution meets the preset ion resolution requirements.

[0189] The repeat optimization module is used to, if the requirement determination module determines no, use the new mass spectrometry scan line as the default scan line and return to the step of automatically adjusting the voltage according to the resolution optimization parameters of the triple quadrupole mass spectrum ions, so as to repeatedly perform the resolution optimization of the mass spectrum ions until it is determined that the triple quadrupole mass spectrum after optimization of ion resolution meets the ion resolution requirement.

[0190] The mass spectrometer ion resolution optimization device provided in this application adopts the mass spectrometer ion resolution optimization method in the above embodiments, solving the technical problem that existing methods for adjusting the instrument's DC voltage to improve mass spectrometer ion resolution are very cumbersome and ultimately achieve limited adjustment effects. Compared with related technologies, the beneficial effects of the mass spectrometer ion resolution optimization device provided in this application are the same as those of the mass spectrometer ion resolution optimization method provided in the above embodiments, and other technical features in this mass spectrometer ion resolution optimization device are the same as those disclosed in the methods of the above embodiments, and will not be repeated here.

[0191] Furthermore, this application embodiment also provides a terminal device, the terminal device comprising: a resolution optimization device for mass spectrometer ions as described above, a memory, a processor, and a computer program stored in the memory and executable on the processor, the computer program being configured to implement the steps of the resolution optimization method for mass spectrometer ions as described above.

[0192] Furthermore, this application embodiment also provides a storage medium, which is a computer-readable storage medium, and stores a computer program thereon. When the computer program is executed by a processor, it implements the steps of the mass spectrum ion resolution optimization method as described above.

[0193] It should be noted that, in this document, the terms "comprising," "including," or any other variations thereof are intended to cover non-exclusive inclusion, such that a process, method, article, or system that comprises a list of elements includes not only those elements but also other elements not expressly listed, or elements inherent to such a process, method, article, or system. Unless otherwise specified, an element defined by the phrase "comprising one..." does not exclude the presence of other identical elements in the process, method, article, or system that includes that element.

[0194] Through the above description of the embodiments, those skilled in the art can clearly understand that the methods of the above embodiments can be implemented by means of software plus necessary general-purpose hardware platforms. Of course, they can also be implemented by hardware, but in many cases the former is a better implementation method. Based on this understanding, the technical solution of this application, in essence, or the part that contributes to the prior art, can be embodied in the form of a software product. This computer software product is stored in a storage medium (such as ROM / RAM, magnetic disk, optical disk) as described above, and includes several instructions to cause a terminal device (which may be a mobile phone, computer, server, or network device, etc.) to execute the methods described in the various embodiments of this application.

[0195] The above are merely preferred embodiments of this application and do not limit the patent scope of this application. Any equivalent structural or procedural transformations made using the content of this application's specification and drawings, or direct or indirect applications in other related technical fields, are similarly included within the patent protection scope of this application.

Claims

1. A method for optimizing the resolution of ions in a mass spectrum, characterized in that, The method for optimizing the resolution of the ions in the mass spectrum includes: The voltage is automatically adjusted based on the resolution of the ions in the triple quadrupole mass spectrum. Obtain the mass spectra corresponding to each voltage after automatic voltage adjustment, and determine the trend of ion resolution change with voltage based on the mass spectra. The optimal voltage value is selected based on the trend of ion resolution changing with voltage to generate a new nonlinear mass spectrometry scan line; Scanning and acquisition were performed according to the new nonlinear mass spectrometry scan lines to obtain triple quadrupole mass spectra with optimized ion resolution.

2. The method for optimizing the resolution of ions in a mass spectrum as described in claim 1, characterized in that, The automatic resolution optimization parameters include at least: voltage adjustment range and voltage adjustment step; The step of automatically adjusting the voltage based on the resolution parameters of the triple quadrupole mass spectrometer ions includes: According to the voltage adjustment step within the voltage adjustment range, the DC voltage of the triple quadrupole is automatically adjusted sequentially starting from the initial adjustment value; The steps for obtaining the mass spectra corresponding to each voltage after automatic voltage adjustment include: After each automatic voltage adjustment, a scan is performed based on the adjusted voltage and the default scan line to obtain the mass spectrum corresponding to the voltage after each automatic voltage adjustment.

3. The method for optimizing the resolution of ions in a mass spectrum as described in claim 1, characterized in that, After the step of obtaining the mass spectra corresponding to each voltage after automatic voltage adjustment, the method further includes: The detection method checks whether the number of mass spectra obtained reaches a preset number threshold, wherein the preset number threshold is determined based on a pre-set number of spectrum accumulations; The step of detecting whether the number of mass spectra obtained reaches a preset threshold includes: The cumulative number of obtained mass spectra is determined, wherein 1 is added to the cumulative number of spectra each time the mass spectrum is obtained; When the cumulative number of the number of spectra is detected to reach the cumulative number of spectra, it is determined that the number of mass spectra has reached the preset number threshold.

4. The method for optimizing the resolution of ions in a mass spectrum as described in claim 3, characterized in that, The step of determining the trend of ion resolution as a function of voltage based on each of the mass spectra includes: When the number of mass spectra detected reaches the preset number threshold, each of the acquired mass spectra is preprocessed. Ion resolution data determined from each of the preprocessed mass spectra, wherein the ion resolution data includes at least: ion resolution peak value and ion resolution peak intensity; Based on the voltage value, ion resolution peak value, and ion resolution peak intensity corresponding to each of the mass spectra, the trend of ion resolution with voltage variation is determined.

5. The method for optimizing the resolution of ions in a mass spectrum as described in claim 1, characterized in that, The step of selecting the optimal voltage value based on the trend of ion resolution changing with voltage to generate a new nonlinear mass spectrometry scan line includes: Multiple optimal voltage values ​​are selected based on the trend of ion resolution changing with voltage; The initial wiring is obtained by connecting multiple optimal voltage values ​​in pairs according to the order of automatic voltage adjustment. Connect the first optimal voltage value in the initial connection to the starting point of the default scan line, and connect the last optimal voltage value in the initial connection to the ending point of the default scan line to generate a new nonlinear mass spectrometry scan line.

6. The method for optimizing the resolution of ions in a mass spectrum as described in claim 5, characterized in that, The step of selecting multiple optimal voltage values ​​based on the trend of ion resolution changing with voltage includes: The trend of the ion resolution changing with voltage is visualized; Multiple voltage value selection operations are received in the visual graphical interface that displays the trend; The voltage values ​​corresponding to each of the multiple voltage value selection operations are sequentially determined as the optimal voltage value.

7. The method for optimizing the resolution of ions in a mass spectrum as described in any one of claims 1 to 6, characterized in that, After the step of scanning and acquiring data according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution, the method further includes: Determine whether the triple quadrupole mass spectrum after optimizing the ion resolution meets the preset ion resolution requirements; If not, the new mass spectrometry scan line is used as the default scan line, and the step of automatically adjusting the voltage based on the resolution optimization parameters of the triple quadrupole mass spectrum ions is returned to repeat the resolution optimization of the mass spectrum ions until it is determined that the triple quadrupole mass spectrum after optimization of ion resolution meets the ion resolution requirements.

8. A resolution optimization device for ions in a mass spectrum, characterized in that, A method for optimizing the resolution of mass spectrum ions as described in any one of claims 1 to 7, wherein the apparatus for optimizing the resolution of mass spectrum ions comprises: The voltage self-regulation module is used to automatically adjust the voltage based on the resolution of the ions in the triple quadrupole mass spectrum. The determination module is used to acquire the mass spectra corresponding to each voltage after automatic voltage adjustment, and to determine the trend of ion resolution change with voltage based on each mass spectra. The optimal voltage selection module is used to select the optimal voltage value based on the trend of the ion resolution changing with voltage to generate a new mass spectrometry scan line; The scanning optimization module is used to perform scanning acquisition according to the new mass spectrometry scan line to obtain a triple quadrupole mass spectrum with optimized ion resolution.

9. A terminal device, characterized in that, The terminal device includes: a resolution optimization device for mass spectrometer ions as described in claim 8, a memory, a processor, and a computer program stored in the memory and executable on the processor, the computer program being configured to implement the steps of the resolution optimization method for mass spectrometer ions as described in any one of claims 1 to 7.

10. A storage medium, characterized in that, The storage medium is a computer-readable storage medium, and a computer program is stored on the storage medium. When the computer program is executed by a processor, it implements the steps of the mass spectrum ion resolution optimization method as described in any one of claims 1 to 7.

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