Mass spectrometry synthesis method, system, device and medium

Abstract

The present invention relates to the field of biochemical analysis technology, and specifically provides a method, system, device and medium for synthesizing a mass spectrum, which is intended to solve the problem of how to improve the resolution and signal-to-noise ratio of a synthesized mass spectrum when obtaining a synthesized mass spectrum based on a mass spectrum to be synthesized. To this end, the present invention can first obtain a reference mass spectrum based on a plurality of mass spectra to be synthesized, and divide each mass spectrum to be synthesized into intervals, perform a correction of the mass spectrum to be synthesized for each sub-interval of the mass spectrum to be synthesized, and synthesize the corrected mass spectrum to obtain a synthesized mass spectrum. Since each sub-interval of each mass spectrum is corrected separately, the mass spectrum to be synthesized can obtain a better correction effect, and the resolution and signal-to-noise ratio of the synthesized mass spectrum can be further improved. And since the synthesis method of the mass spectrum of the present invention does not require peak detection, the present invention can be applied to the synthesis of various mass spectra, and can be applied to the synthesis stage of the original mass spectrum.

Description

Technical Field

[0001] The present invention relates to the technical field of biochemical analysis, and specifically provides a method, system, device and medium for synthesizing a mass spectrum. Background Art

[0002] Time-of-flight mass spectrometers have been widely used as detection equipment. The basic principle of a time-of-flight mass spectrometer is to measure the time it takes for sample ions to reach the detector under a certain potential and draw a curve, which is a mass spectrum. A time-of-flight mass spectrometer can usually collect hundreds or thousands of original mass spectra, and then synthesize these original mass spectra into a single mass spectrum to improve the sensitivity of detection. Generally speaking, the greater the mass of the ion, the longer it takes to reach the detector. Due to factors such as acceleration voltage fluctuations, clock jitter, and differences in the spatial distribution of samples, the original mass spectrum will have a certain amount of time jitter. If the existing technology of averaging or accumulating the original mass spectra to obtain a synthetic mass spectrum is used, the existence of time jitter will cause the mass spectrum peak of the synthetic mass spectrum to become wider and the resolution to decrease.

[0003] The existing solution to this problem is to align mass spectrometry peaks through peak detection. However, this method requires different parameter configurations for detecting mass spectrometry peaks of varying heights and widths, making it difficult to develop a unified standard applicable to all mass spectra. Consequently, this method is difficult to apply to the synthesis stage of raw mass spectra.

[0004] Accordingly, a new mass spectrometry synthesis scheme is needed in this field to solve the above problems. Summary of the Invention

[0005] In order to overcome the above-mentioned drawbacks, the present invention is proposed to provide a solution or at least partially solve the problem of how to improve the resolution and signal-to-noise ratio of a synthesized mass spectrum when obtaining a synthesized mass spectrum based on a mass spectrum to be synthesized.

[0006] In a first aspect, the present invention provides a method for synthesizing a mass spectrum, the method comprising:

[0007] Obtaining a reference mass spectrum according to a plurality of mass spectra to be synthesized;

[0008] Dividing the interval of the mass spectrum to be synthesized into intervals to obtain a plurality of subintervals for each mass spectrum to be synthesized;

[0009] Correcting each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra;

[0010] A composite mass spectrum is obtained based on the multiple calibrated mass spectra.

[0011] In one technical solution of the above-mentioned mass spectrum synthesis method, the interval of the mass spectrum to be synthesized is divided into intervals to obtain multiple sub-intervals for each mass spectrum to be synthesized, including:

[0012] Obtaining the interval start point and the interval end point of the interval of the mass spectrum to be synthesized, and selecting the interval length of the interval division;

[0013] The mass spectrum to be synthesized is divided into intervals according to the interval starting point, the interval end point and the interval length to obtain multiple sub-intervals for each mass spectrum to be synthesized.

[0014] In a technical solution of the above-mentioned mass spectrum synthesis method, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, the interval end point, and the interval length, including:

[0015] For each mass spectrum to be synthesized, randomly select a point within the range from the starting point of the interval to the starting point of the interval plus the interval length as the random starting point of each mass spectrum to be synthesized;

[0016] The mass spectrum to be synthesized is divided into intervals according to the interval starting point, the random starting point, the interval end point and the interval length.

[0017] In a technical solution of the above-mentioned mass spectrum synthesis method, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, the interval end point, and the interval length, including:

[0018] Grouping multiple mass spectra to be synthesized to obtain multiple groups of mass spectra to be synthesized;

[0019] For each group of mass spectra to be synthesized, randomly select a point within the range from the starting point of the interval to the starting point of the interval plus the interval length as the random starting point of each group of mass spectra to be synthesized;

[0020] For each mass spectrum to be synthesized in each group of mass spectra to be synthesized, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, the random starting point, the interval end point and the interval length.

[0021] In a technical solution of the above-mentioned mass spectrum synthesis method, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, the random starting point, the interval end point, and the interval length, including:

[0022] The interval from the interval starting point to the random starting point is used as the first subinterval of the mass spectrum to be synthesized;

[0023] Starting from the random starting point, sequentially dividing the subintervals after the first subinterval of the mass spectrum to be synthesized according to the interval lengths;

[0024] The portion before the end point of the interval that is less than the length of the interval is used as the last sub-interval of the mass spectrum to be synthesized.

[0025] In one technical solution of the above-mentioned mass spectrum synthesis method, the step of correcting each mass spectrum to be synthesized based on the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra includes:

[0026] For each subinterval, correcting the interval mass spectrum of each mass spectrum to be synthesized within the subinterval according to the reference mass spectrum to obtain a corrected mass spectrum of each mass spectrum to be synthesized within the subinterval;

[0027] The corrected mass spectra in all subintervals of each mass spectrum to be synthesized are merged to obtain multiple corrected mass spectra.

[0028] In one technical solution of the above-mentioned mass spectrum synthesis method, the step of correcting the interval mass spectrum of each mass spectrum to be synthesized within the subinterval according to the reference mass spectrum to obtain a corrected mass spectrum of each mass spectrum to be synthesized within the subinterval includes:

[0029] For each subinterval of each mass spectrum to be synthesized, obtaining a correlation sequence and an offset sequence between an interval mass spectrum of the mass spectrum to be synthesized within the subinterval and an interval mass spectrum of the reference mass spectrum within the subinterval;

[0030] The interval mass spectrum of the mass spectrum to be synthesized within the subinterval is corrected according to the correlation sequence and the offset sequence to obtain a corrected mass spectrum of the mass spectrum to be synthesized within the subinterval.

[0031] In one technical solution of the above-mentioned mass spectrum synthesis method, the correction of the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the correlation sequence and the offset sequence includes:

[0032] Obtaining a maximum correlation in the correlation sequence, and obtaining an offset in an offset sequence corresponding to the maximum correlation;

[0033] Determining whether the maximum correlation is greater than a preset correlation threshold;

[0034] If yes, correcting the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the offset;

[0035] If not, the interval mass spectrum is directly used as the corrected mass spectrum of the mass spectrum to be synthesized in the sub-interval

[0036] In a technical solution of the above-mentioned mass spectrum synthesis method, the correction of the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the offset includes:

[0037] According to the offset, the interval mass spectrum is shifted in the opposite direction to obtain a corrected mass spectrum within the sub-interval; or

[0038] According to the offset, the data index of the interval mass spectrum is moved in the opposite direction to obtain a corrected mass spectrum in the sub-interval.

[0039] In one technical solution of the above-mentioned mass spectrum synthesis method, obtaining a correlation sequence and an offset sequence between an interval mass spectrum of the mass spectrum to be synthesized within the subinterval and an interval mass spectrum of the reference mass spectrum within the subinterval includes:

[0040] The sampling points of the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are taken as discrete sequences, and the correlation sequence and offset sequence between the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are obtained according to the following formula:

[0041]

[0042] Wherein, c(m) is the correlation sequence, x is the discrete sequence of interval mass spectra of the mass spectrum to be synthesized within the subinterval, y is the discrete sequence of interval mass spectra of the reference mass spectrum within the subinterval, m is the offset sequence, and maxlag is the offset threshold. is the correlation function between x and y, and the correlation function is obtained according to the following formula:

[0043]

[0044] n represents the nth sampling point in the discrete sequence, N is the total number of sampling points in the discrete sequence, and the asterisk represents the complex conjugate.

[0045] In one technical solution of the above-mentioned mass spectrum synthesis method, the step of dividing the interval of the mass spectrum to be synthesized into intervals includes:

[0046] Dividing the mass spectrum to be synthesized into mass intervals according to the mass intervals of the mass spectrum to be synthesized; or,

[0047] The mass spectrum to be synthesized is divided into time intervals according to the time interval of the mass spectrum to be synthesized.

[0048] In one technical solution of the above-mentioned mass spectrum synthesis method, obtaining a reference mass spectrum based on a plurality of mass spectra to be synthesized includes:

[0049] Obtaining an average value or cumulative value of a same sampling point of the plurality of mass spectra to be synthesized as the value of the corresponding sampling point of the reference mass spectrum to obtain the reference mass spectrum; and / or,

[0050] The step of obtaining a synthetic mass spectrum based on the plurality of corrected mass spectra includes:

[0051] The average value or cumulative value of the same sampling point of the multiple corrected mass spectra is obtained as the value of the corresponding sampling point of the synthetic mass spectrum to obtain the synthetic mass spectrum.

[0052] In a second aspect, the present invention provides a system for synthesizing a mass spectrum, the system comprising:

[0053] a reference mass spectrum acquisition module, configured to acquire a reference mass spectrum based on a plurality of mass spectra to be synthesized;

[0054] a mass spectrum interval division module, configured to divide the interval of the mass spectrum to be synthesized into intervals to obtain a plurality of subintervals for each mass spectrum to be synthesized;

[0055] a mass spectrum correction module, configured to correct each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra;

[0056] The mass spectrum synthesis module is configured to obtain a synthesized mass spectrum based on a plurality of calibrated mass spectra.

[0057] In a third aspect, a control device is provided, which includes a processor and a storage device, wherein the storage device is suitable for storing multiple program codes, and the program codes are suitable for being loaded and run by the processor to execute the mass spectrum synthesis method described in any one of the technical solutions of the above-mentioned mass spectrum synthesis method.

[0058] In a fourth aspect, a computer-readable storage medium is provided, which stores a plurality of program codes, wherein the program codes are suitable for being loaded and run by a processor to execute the mass spectrum synthesis method described in any one of the technical solutions of the above-mentioned mass spectrum synthesis method.

[0059] The above one or more technical solutions of the present invention have at least one or more of the following beneficial effects:

[0060] In the technical solution of the present invention, the present invention can first obtain a reference mass spectrum based on a plurality of mass spectra to be synthesized, and divide each mass spectra to be synthesized into intervals, perform correction of the mass spectrum to be synthesized for each sub-interval of the mass spectra to be synthesized, and synthesize the corrected mass spectra to obtain a synthesized mass spectrum. Through the above configuration, the present invention can realize the correction of each sub-interval of each mass spectra, which can make the corrected mass spectrum more accurate, so that the mass spectrum to be synthesized obtains a better correction effect, and can further improve the resolution and signal-to-noise ratio of the synthesized mass spectrum. And because the synthesis method of the mass spectrum of the present invention does not require peak detection, the present invention can be applied to the synthesis of various mass spectra, and can be applied to the synthesis stage of the original mass spectrum. BRIEF DESCRIPTION OF THE DRAWINGS

[0061] The disclosure of the present invention will become more easily understood with reference to the accompanying drawings. Those skilled in the art will readily appreciate that these drawings are for illustrative purposes only and are not intended to limit the scope of protection of the present invention. Among them:

[0062] Figure 1 1 is a flow chart showing the main steps of a method for synthesizing a mass spectrum according to one embodiment of the present invention;

[0063] Figure 2 1 is a flow chart of the main steps of a method for synthesizing a mass spectrum according to one embodiment of the present invention;

[0064] Figure 3 yes Figure 2 Schematic diagram of the main steps of step S302;

[0065] Figure 4 3 is a schematic diagram showing a comparison between heat maps of a plurality of corrected mass spectra obtained by the mass spectrum synthesis method according to an embodiment of the present invention and heat maps of a plurality of original mass spectra;

[0066] Figure 5 1 is a schematic diagram comparing a synthetic mass spectrum obtained by a method for synthesizing a mass spectrum according to an example of an embodiment of the present invention and a synthetic mass spectrum obtained by a traditional method;

[0067] Figure 6 1 is a schematic diagram comparing a synthetic mass spectrum obtained by a method for synthesizing a mass spectrum according to another example of an embodiment of the present invention and a synthetic mass spectrum obtained by a traditional method;

[0068] Figure 7 is a schematic diagram of a curve showing the relationship between correlation and offset according to an example of an embodiment of the present invention;

[0069] Figure 8 is a main structural block diagram of a mass spectrum synthesis system according to one embodiment of the present invention;

[0070] Figure 9 1 is a main structural block diagram of a mass spectrum synthesis system according to an embodiment of the present invention;

[0071] Figure 10 yes Figure 9 The main structural block diagram of the interval partitioning module in .

[0072] Figure 11 yes Figure 9 The main structural block diagram of the mass spectrum correction module in ;

[0073] Figure 12 yes Figure 11 The main structural block diagram of the reference mass spectrum unit in ;

[0074] Figure 13 yes Figure 11 The main structural block diagram of the offset calculation unit in . DETAILED DESCRIPTION

[0075] Some embodiments of the present invention are described below with reference to the accompanying drawings. Those skilled in the art should understand that these embodiments are only used to explain the technical principles of the present invention and are not intended to limit the scope of protection of the present invention.

[0076] In the description of the present invention, "module" and "processor" may include hardware, software, or a combination of both. A module may include hardware circuitry, various suitable sensors, communication ports, and memory. It may also include software components, such as program code, or a combination of software and hardware. A processor may be a central processing unit, a microprocessor, an image processor, a digital signal processor, or any other suitable processor. A processor has data and / or signal processing capabilities. A processor may be implemented in software, hardware, or a combination of both. Non-transitory computer-readable storage media include any suitable medium capable of storing program code, such as magnetic disks, hard disks, optical disks, flash memory, read-only memory, random access memory, and the like. The term "A and / or B" refers to all possible combinations of A and B, such as only A, only B, or both A and B. The terms "at least one of A or B" or "at least one of A and B" have similar meanings to "A and / or B" and may include only A, only B, or both A and B. The singular forms "one" and "the" may also include the plural forms.

[0077] See attached Figure 1 , Figure 1 FIG. 1 is a flow chart showing the main steps of a method for synthesizing a mass spectrum according to an embodiment of the present invention. Figure 1 As shown, the mass spectrum synthesis method in the embodiment of the present invention mainly includes the following steps S101 to S104.

[0078] Step S101: obtaining a reference mass spectrum according to a plurality of mass spectra to be synthesized.

[0079] In this embodiment, a reference mass spectrum can be obtained based on multiple mass spectra to be synthesized.

[0080] In one embodiment, the mass spectrum to be synthesized can be a raw mass spectrum, where a raw mass spectrum refers to an unprocessed mass spectrum acquired by a mass spectrometer. The raw mass spectra acquired and output by the mass spectrometer can be stored in a device memory, and a certain number of consecutive raw mass spectra can be read from the device memory as the mass spectrum to be synthesized. For example, 800-1000 raw mass spectra can be read.

[0081] In one embodiment, the mass spectrum to be synthesized may also be a processed mass spectrum.

[0082] In one embodiment, the same sampling point of multiple mass spectra to be synthesized may be averaged or accumulated, and the averaged or accumulated value obtained may be used as the value of the corresponding sampling point of the reference mass spectrum to obtain a reference mass spectrum.

[0083] In one embodiment, the mass deviation of the center point of the mass spectrum peak of the reference mass spectrum may be the average value of the mass deviations of the mass spectrum to be synthesized.

[0084] Step S102: Divide the interval of the mass spectrum to be synthesized into intervals to obtain multiple sub-intervals for each mass spectrum to be synthesized.

[0085] In this embodiment, the mass spectrum to be synthesized may be divided into intervals to obtain a plurality of sub-intervals for each mass spectrum to be synthesized.

[0086] In one embodiment, the interval division may be performed according to the mass interval of the mass spectrum to be synthesized, or according to the time interval of the mass spectrum to be synthesized.

[0087] Step S103: calibrating each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of calibrated mass spectra.

[0088] In this embodiment, the mass spectrum to be synthesized may be corrected for each subinterval of each mass spectrum to be synthesized based on the reference mass spectrum obtained in step S101 to obtain multiple corrected mass spectra.

[0089] In one embodiment, since the mass spectrum has a time jitter problem, each sub-interval of the mass spectrum to be synthesized can be aligned according to the reference mass spectrum to reduce the offset caused by the time jitter, thereby obtaining a corrected mass spectrum.

[0090] Step S104: obtaining a composite mass spectrum based on the multiple corrected mass spectra.

[0091] In this embodiment, a synthetic mass spectrum can be obtained based on the corrected mass spectrum.

[0092] In one embodiment, the average or cumulative values ​​of the same sampling point of multiple calibrated mass spectra can be calculated and used as the value of the corresponding sampling point in the composite mass spectrum to obtain a composite mass spectrum. For example, hundreds or thousands of original mass spectra acquired by a time-of-flight mass spectrometer can be combined into a single composite mass spectrum to improve the sensitivity of the mass spectrum.

[0093] Based on the above steps S101 to S104, the embodiment of the present invention can first obtain a reference mass spectrum based on a plurality of mass spectra to be synthesized, and divide each mass spectra to be synthesized into intervals, perform correction of the mass spectrum to be synthesized for each sub-interval of the mass spectra to be synthesized, and synthesize the corrected mass spectra to obtain a synthesized mass spectrum. Through the above configuration, the embodiment of the present invention can realize the separate correction of each sub-interval of each mass spectra, which can make the corrected mass spectrum more accurate, so that the mass spectrum to be synthesized can obtain a better correction effect, and can further improve the resolution and signal-to-noise ratio of the synthesized mass spectrum. And because the synthesis method of the mass spectrum of the present invention does not require peak detection, the present invention can be applied to the synthesis of various mass spectra and can be applied to the synthesis stage of the original mass spectrum.

[0094] Step S102 and step S103 are further described below.

[0095] In one implementation of the embodiment of the present invention, step S102 may include the following steps S1021 and S1022:

[0096] Step S1021: obtaining the interval start point and the interval end point of the interval of the mass spectrum to be synthesized, and selecting the interval length of the interval division.

[0097] In this embodiment, the interval start and end points of the mass spectrum to be synthesized can be determined, and an appropriate interval length can be selected. The selection of the interval length can be obtained based on experience. Generally speaking, if the interval length is too small, it will cause insufficient interval signal characteristics, resulting in difficulty in calibrating the mass spectrum to be synthesized; if the interval length is too large, the alignment effect will be reduced.

[0098] In one embodiment, the interval length may be selected in the range of 1000-5000 Daltons.

[0099] Step S1022: Divide the mass spectrum to be synthesized into intervals according to the interval start point, interval end point, and interval length to obtain multiple sub-intervals for each mass spectrum to be synthesized.

[0100] In one embodiment, step S1022 may include the following steps S10221 to S10222:

[0101] Step S10221: For each mass spectrum to be synthesized, randomly select a point within the range from the interval start point to the interval start point plus the interval length as the random starting point of each mass spectrum to be synthesized.

[0102] In this embodiment, for each mass spectrum, a point within the range from the interval start point to the interval start point plus the interval length may be randomly selected as the random start point.

[0103] Step S10222: Divide the mass spectrum to be synthesized into intervals according to the interval starting point, random starting point, interval end point and interval length.

[0104] In this embodiment, step S10222 may further include steps S102221 to S102223:

[0105] Step S102221: The interval corresponding to the interval starting point to the random starting point is used as the first sub-interval of the mass spectrum to be synthesized.

[0106] Step S102222: Starting from a random starting point, the sub-intervals after the first sub-interval of the mass spectrum to be synthesized are divided in sequence according to the interval lengths.

[0107] Step S102223: The portion before the end of the interval that is less than the interval length is used as the last sub-interval of the mass spectrum to be synthesized.

[0108] In this embodiment, the interval from the interval start point to the random start point can be used as the first sub-interval, and starting from the random start point, the subsequent sub-intervals are divided in sequence according to the interval length, and the part before the interval end point that is less than the interval length is used as the last sub-interval.

[0109] For example, assuming the interval start point is StartMass, the interval end point is EndMass, the interval length is Window, the number of subintervals is n+2, the random start point is RandomMass, StartMass<RandomMass<StartMass+Window and RandomMass+n×Window<EndMass, then the first subinterval is StartMass to RandomMass, the second subinterval is RandomMass to RandomMass+1×Window, ..., the n+1th subinterval is RandomMass+(n-1)×Window to RandomMass+n×Window, and the n+2th subinterval is RandomMass+n×Window to EndMass. Setting a random start point can solve the problem of using a fixed interval division method when dividing the mass spectrum to be synthesized, which will cause adjacent subintervals to merge and produce seams after correction, thereby affecting the quality of the corrected mass spectrum. Therefore, the random starting point setting adopted in the present invention can significantly improve the quality of the corrected mass spectrum.

[0110] For example, when n=3, the actual number of intervals obtained by division is 5. Please refer to the table below for details.

[0111] Table 1 Subinterval partition table

[0112]

[0113] In an extreme case, the random starting point coincides with the starting point of the interval, which means that the length of the first sub-interval is 0.

[0114] In another embodiment, step S1022 may include the following steps S10223 to S10225:

[0115] Step S10223: Grouping the multiple mass spectra to be synthesized to obtain multiple groups of mass spectra to be synthesized.

[0116] In this embodiment, the mass spectra to be synthesized can be grouped and divided into multiple groups of mass spectra to be synthesized according to the order in which the mass spectra to be synthesized were collected. The number of mass spectra to be synthesized in each group can be set based on actual experience, generally so that the synthesized mass spectra do not have any seams.

[0117] Step S10224: For each group of mass spectra to be synthesized, randomly select a point within the range from the interval start point to the interval start point plus the interval length as the random starting point of each group of mass spectra to be synthesized.

[0118] In this embodiment, each group of mass spectra to be synthesized uses the same random starting point, which can significantly reduce the amount of calculation while meeting the requirement of no seams.

[0119] Step S10225: For each mass spectrum to be synthesized in each group of mass spectra to be synthesized, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, random starting point, interval end point and interval length.

[0120] In this embodiment, the same method as steps S102221 to S102223 described above may be used to divide each mass spectrum to be synthesized in each group of mass spectra to be synthesized into intervals.

[0121] In one implementation of the embodiment of the present invention, step S103 may include the following steps S1031 and S1032:

[0122] Step S1031: for each subinterval, correct the interval mass spectrum of each mass spectrum to be synthesized in the subinterval according to the reference mass spectrum to obtain a corrected mass spectrum of each mass spectrum to be synthesized in the subinterval.

[0123] In this embodiment, each subinterval of the mass spectrum to be synthesized can be calibrated separately based on the reference mass spectrum. Due to mass nonlinearity, the offset of the mass spectrum to be synthesized can vary across the entire mass spectrum. Dividing the mass spectrum to be synthesized into intervals and calibrating each subinterval can minimize the impact of mass nonlinearity on the offset, resulting in better calibration results.

[0124] If the sub-interval is 10,000 Dalton to 12,000 Dalton, the offset between the 10,000 Dalton to 12,000 Dalton sub-interval of the mass spectrum to be synthesized and the 10,000 Dalton to 12,000 Dalton sub-interval of the reference mass spectrum can be obtained, and the 10,000 Dalton to 12,000 Dalton sub-interval of the mass spectrum to be synthesized can be corrected according to the offset.

[0125] In one embodiment, step S1031 may further include the following steps S10311 to S10312:

[0126] Step S10311: for each subinterval of each mass spectrum to be synthesized, obtaining a correlation sequence and an offset sequence between the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval;

[0127] In this embodiment, step S10311 may be further configured to perform the following steps:

[0128] The sampling points of the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are taken as discrete sequences, and the correlation sequence and offset sequence between the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are calculated according to the following formula (1):

[0129]

[0130] Where c(m) is the correlation sequence, x is the discrete sequence of interval mass spectra of the mass spectrum to be synthesized in the subinterval, y is the discrete sequence of interval mass spectra of the reference mass spectrum in the subinterval, m is the offset sequence, and maxlag is the offset threshold. is the correlation function between x and y.

[0131] The correlation function can be obtained according to the following formula (2):

[0132]

[0133] n represents the nth sampling point in the discrete sequence, N is the total number of sampling points in the discrete sequence, and the asterisk represents the complex conjugate.

[0134] In this embodiment, the offset range for calculating the correlation can be determined based on an offset threshold. That is, only correlations and offset sequences within the range [-maxlag, maxlag] are output. The offset threshold can be determined based on the temporal jitter range of the mass spectrometer and is generally slightly larger than the maximum jitter range. Setting the offset threshold can limit the offset range, so that the synthesized mass spectrum moves only within a fixed range. This can avoid erroneous movement and save computational effort.

[0135] Step S10312: Correcting the interval mass spectra of the mass spectra to be synthesized within the subinterval according to the correlation sequence and the offset sequence to obtain a corrected mass spectrum of each mass spectra to be synthesized within the subinterval.

[0136] In this embodiment, step S10312 may further include step S103121 and step S103124:

[0137] Step S103121: Obtain the maximum correlation in the correlation sequence, and obtain the offset in the offset sequence corresponding to the maximum correlation.

[0138] In this embodiment, the maximum correlation in the correlation sequence may be used to obtain the offset in the offset sequence corresponding to the correlation.

[0139] In one embodiment, please refer to the attached Figure 7 , Figure 7is a schematic diagram of a curve showing the relationship between the correlation and the offset according to an example of an embodiment of the present invention, wherein Figure 7 The horizontal axis is the offset, and the vertical axis is the correlation. Figure 7 As shown, the offset sequence can be set to between -20 and 20, the sampling interval is 1, and the maximum correlation is shown when the correlation is around 0.7.

[0140] Step S103122: Determine whether the maximum correlation is greater than a preset correlation threshold; if so, jump to step S103123; if not, jump to step S103124.

[0141] Step S103123: Correct the interval mass spectrum of the mass spectrum to be synthesized within the sub-interval according to the offset.

[0142] Step S103124: directly use the interval mass spectrum as the corrected mass spectrum of the mass spectrum to be synthesized within the sub-interval.

[0143] In this embodiment, the maximum correlation between the interval mass spectrum of each mass spectrum to be synthesized and the interval mass spectrum of the corresponding reference mass spectrum can be compared with a correlation threshold. When the maximum correlation is greater than the correlation threshold, the corrected mass spectrum of the mass spectrum to be synthesized within the subinterval can be obtained based on the offset; when the maximum correlation is less than or equal to the correlation threshold, the interval mass spectrum of the mass spectrum to be synthesized within the subinterval can be directly used as the corrected mass spectrum within the subinterval. The correlation threshold is set to avoid the problem of mass spectrum peak deformation in the synthesized mass spectrum due to incorrect alignment of low-quality mass spectra to be synthesized.

[0144] In one implementation, the correlation threshold may be obtained based on an empirical value, for example, the correlation threshold may be selected between 0.4 and 0.6.

[0145] In one embodiment, the interval mass spectrum within the subinterval of the mass spectrum to be synthesized can be shifted in the opposite direction according to the offset to obtain a corrected mass spectrum within the subinterval. For example, if the offset is 2, the interval mass spectrum can be shifted along the horizontal axis by -2 to obtain a corrected mass spectrum within the subinterval.

[0146] In one embodiment, the data index of the interval mass spectrum within the subinterval of the mass spectrum to be synthesized can be shifted in the opposite direction according to the offset to obtain a corrected mass spectrum within the subinterval. For example, if the offset is 2, the data index of the interval mass spectrum can be shifted by -2. For example, if the original data index is 0, it becomes -2 after the shift, and if the original data index is 2, it becomes 0 after the shift, to obtain the corrected mass spectrum within the subinterval.

[0147] In one embodiment, in the mass spectrum of the interval after the shift according to the offset, redundant sampling points at both ends can be directly discarded, and missing sampling points can be directly padded with zeros.

[0148] Step S1032: merging the corrected mass spectra in all subintervals of each mass spectrum to be synthesized to obtain multiple corrected mass spectra.

[0149] In this embodiment, after completing the correction of all subintervals of the mass spectrum to be synthesized, the corrected mass spectra of all subintervals can be merged into one mass spectrum, which is the corrected mass spectrum of the mass spectrum to be synthesized.

[0150] In one embodiment, after synthesizing multiple original mass spectra collected by the mass spectrometer to obtain a synthesized mass spectrum, the synthesized mass spectrum can be stored in a hard disk. After all the original mass spectra are synthesized, the multiple synthesized mass spectra can be used as mass spectra to be synthesized, and continue to be synthesized according to the method of steps S101 to S104 to obtain a synthesized mass spectrum of the entire target hole of the mass spectrometer.

[0151] Please refer to the attached Figure 4 To the attached Figure 6 , Figure 4 3 is a schematic diagram showing a comparison between heat maps of a plurality of corrected mass spectra obtained by the mass spectrum synthesis method according to an embodiment of the present invention and heat maps of a plurality of original mass spectra. Figure 4 The left side of the middle figure is a heat map of multiple original mass spectra, and the right side is a heat map of the corrected mass spectra obtained from the multiple original mass spectra according to an embodiment of the present invention; Figure 4 The horizontal axis is the mass, the vertical axis is the spectrum number, and the brightness is the peak intensity of the mass spectrum peak; Figure 5 1 is a schematic diagram comparing a synthetic mass spectrum obtained by a method for synthesizing a mass spectrum according to an example of an embodiment of the present invention and a synthetic mass spectrum obtained by a traditional method; Figure 6 1 is a schematic diagram comparing a synthetic mass spectrum obtained by a method for synthesizing a mass spectrum according to another example of an embodiment of the present invention and a synthetic mass spectrum obtained by a traditional method; Figure 5 and Figure 6 The horizontal axis is mass (Daltons) and the vertical axis is peak height (voltage). Figure 4 As shown in FIG. 1 , the mass spectra corrected according to the embodiment of the present invention are aligned in quality and have a good alignment effect, which is convenient for subsequent synthesis processing. Figure 5 and Figure 6 As shown, the synthetic mass spectrum obtained according to the embodiment of the present invention can effectively improve the resolution and signal-to-noise ratio of the mass spectrum. Figure 5 The synthetic mass spectrum obtained by the synthesis method of the mass spectrum of the embodiment of the present invention Figure 1 Synthetic mass spectra obtained with traditional methods Figure 2 Compared with the previous generation, the resolution is improved by 46% and the signal-to-noise ratio is improved by 12%. Figure 6 The synthetic mass spectrum obtained by the synthesis method of the mass spectrum of the embodiment of the present invention Figure 1 Synthetic mass spectra obtained with traditional methods Figure 2 Compared with , the resolution is improved by 9% and the signal-to-noise ratio is improved by 5%. Figure 5 Examples and Figure 6 The examples use the same mass spectrum synthesis method, but due to different samples, the performance improvement of the obtained synthetic mass spectra is different. Figure 5 The spatial distribution of samples in the image is quite different, so the performance of the synthetic mass spectrum is greatly improved.

[0152] In one embodiment, see the attached Figure 2 , Figure 2 FIG. 1 is a flow chart showing the main steps of a method for synthesizing a mass spectrum according to an embodiment of the present invention. Figure 2 As shown, the method for synthesizing a mass spectrum may include the following steps S301 to S307:

[0153] Step S301: Read several original mass spectra.

[0154] In this embodiment, a plurality of consecutive original mass spectra collected by the mass spectrometer may be read first.

[0155] Step S302: Divide each original mass spectrum into intervals.

[0156] In this embodiment, please refer to the attached Figure 3 , Figure 3 yes Figure 2 Schematic diagram of the main steps of step S302. Figure 3 As shown, step S302 may include the following steps S3021 and S3022:

[0157] Step S3021: Randomly select a starting point for time or mass processing for each original mass spectrum.

[0158] In this embodiment, the method described in step S3021 is similar to the method described in step S1021, and for the sake of simplicity, it is not repeated here.

[0159] Step S3022: Divide the time or quality intervals for subsequent operations.

[0160] In this embodiment, the method described in step S3022 is similar to the method described in step S1022, and for the sake of simplicity, it is not repeated here.

[0161] Step S303: Correcting the original mass spectrum.

[0162] In this embodiment, the method described in step S303 is similar to the method described in step S1031 and will not be repeated here for simplicity of description.

[0163] Step S304: Determine whether all intervals have been processed; if so, jump to step S305; if not, jump to step S303.

[0164] Step S305: Merge time or quality intervals.

[0165] In this embodiment, the method described in step S305 is similar to the method described in step S1032, and for the sake of simplicity, they are not repeated here.

[0166] Step S306: Obtain a composite mass spectrum using an averaging or accumulation method.

[0167] In this embodiment, the method described in step S306 is similar to the method described in step S104 and will not be repeated here for simplicity.

[0168] Step S307: Determine whether all original mass spectra have been processed; if so, end; if not, jump to step S301.

[0169] In this embodiment, when there are still mass spectra to be synthesized that have not been processed, the process jumps to step S303 to continue correcting the mass spectra to be synthesized.

[0170] It should be pointed out that although the various steps in the above embodiments are described in a specific order, those skilled in the art will understand that in order to achieve the effects of the present invention, different steps do not have to be performed in such an order. They can be performed simultaneously (in parallel) or in other orders. These changes are within the scope of protection of the present invention.

[0171] Furthermore, the present invention also provides a mass spectrum synthesis system.

[0172] See attached Figure 8 , Figure 8 FIG. 1 is a main structural block diagram of a mass spectrum synthesis system according to an embodiment of the present invention. Figure 8As shown, the mass spectrum synthesis system in the embodiment of the present invention may include a reference mass spectrum acquisition module, a mass spectrum interval division module, a mass spectrum correction module and a mass spectrum synthesis module. In this embodiment, the reference mass spectrum acquisition module can be configured to obtain a reference mass spectrum based on a plurality of mass spectra to be synthesized. The mass spectrum interval division module can be configured to divide the interval of the mass spectrum to be synthesized into intervals to obtain a plurality of subintervals for each mass spectrum to be synthesized. The mass spectrum correction module can be configured to correct each mass spectrum to be synthesized based on the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra. The mass spectrum synthesis module can be configured to obtain a synthesized mass spectrum based on a plurality of corrected mass spectra.

[0173] In one embodiment, please refer to the attached Figure 9 , Figure 9 FIG. 1 is a main structural block diagram of a mass spectrum synthesis system according to an embodiment of the present invention. Figure 9 As shown, the mass spectrum synthesis system may include an interval division module, a mass spectrum correction module, an interval merging module and an averaging / accumulation module. In this embodiment, the original mass spectrum can be input into the interval division module to obtain multiple subintervals of the original mass spectrum. The mass spectrum correction module corrects each subinterval of the original mass spectrum according to the multiple subintervals of the original mass spectrum. The interval merging module merges the corrected mass spectra of each subinterval to obtain a corrected mass spectrum. The averaging / accumulation module obtains a merged mass spectrum by averaging or accumulating multiple corrected mass spectra.

[0174] Please refer to the attached Figure 10 To the attached Figure 13 , Figure 10 yes Figure 9 The main structural block diagram of the interval partitioning module in ; Figure 11 yes Figure 9 The main structural block diagram of the mass spectrum correction module in ; Figure 12 yes Figure 11 The main structural block diagram of the reference mass spectrum generation unit in FIG. Figure 13 yes Figure 11 The main structural block diagram of the offset calculation unit in FIG. Figure 10 As shown, the interval partitioning module may include a random starting point generation submodule and an interval partitioning submodule. In this embodiment, the random starting point generation module may be configured to randomly select a point within the range from the interval starting point to the interval starting point plus the interval length as the random starting point. The interval partitioning submodule may be configured to partition the original mass spectrum into multiple subintervals based on the interval starting point, the random starting point, the interval end point, and the interval length.

[0175] like Figure 11As shown, the mass spectrum correction module may include a reference mass spectrum generation unit, an offset calculation unit, and a mass spectrum correction unit. In this embodiment, the original mass spectrum is input into the reference mass spectrum generation unit to obtain a reference mass spectrum; the reference mass spectrum and the original mass spectrum are input into the offset calculation unit to obtain the maximum correlation and offset of each subinterval of the original mass spectrum; and the maximum correlation and offset are input into the mass spectrum correction unit to obtain a corrected mass spectrum.

[0176] like Figure 12 As shown, the reference mass spectrum generating unit may include an averaging / accumulation subunit. The original mass spectrum is input into the averaging / accumulation subunit to obtain the reference mass spectrum.

[0177] like Figure 13 As shown, the offset calculation unit may include a correlation calculation subunit and a maximum detection subunit. The original mass spectrum and the reference mass spectrum are input into the correlation calculation subunit to obtain a correlation and offset sequence between the original mass spectrum and the reference mass spectrum in each subinterval. The correlation and offset sequence are input into the maximum detection subunit to obtain the maximum correlation and corresponding offset between the original mass spectrum and the reference mass spectrum in each subinterval.

[0178] The synthesis system of the mass spectrum is used to perform Figures 1 to 3 The embodiment of the method for synthesizing a mass spectrum shown in the figure has similar technical principles, technical problems solved and technical effects produced. Those skilled in the art can clearly understand that for the convenience and brevity of description, the specific working process and related instructions of the mass spectrum synthesis system can refer to the contents described in the embodiment of the method for synthesizing a mass spectrum, and will not be repeated here.

[0179] Those skilled in the art will appreciate that all or part of the processes in the method for implementing the above-mentioned embodiment of the present invention may also be accomplished by instructing the relevant hardware through a computer program. The computer program may be stored in a computer-readable storage medium. When the computer program is executed by a processor, it may implement the steps of each of the above-mentioned method embodiments. The computer program includes computer program code, which may be in source code form, object code form, executable file, or some intermediate form. The computer-readable storage medium may include: any entity or device, medium, USB flash drive, mobile hard disk, magnetic disk, optical disk, computer memory, read-only memory, random access memory, electric carrier signal, telecommunication signal, and software distribution medium capable of carrying the computer program code. It should be noted that the content contained in the computer-readable storage medium may be appropriately increased or decreased according to the requirements of legislation and patent practice in the jurisdiction. For example, in some jurisdictions, according to legislation and patent practice, computer-readable storage media do not include electric carrier signals and telecommunication signals.

[0180] Furthermore, the present invention also provides a control device. In one embodiment of the control device according to the present invention, the control device includes a processor and a storage device. The storage device can be configured to store a program for executing the mass spectrum synthesis method of the above-mentioned method embodiment, and the processor can be configured to execute the program in the storage device, which includes but is not limited to a program for executing the mass spectrum synthesis method of the above-mentioned method embodiment. For ease of explanation, only the parts related to the embodiment of the present invention are shown. For specific technical details not disclosed, please refer to the method section of the embodiment of the present invention. The control device can be a control device device formed by various electronic devices.

[0181] Furthermore, the present invention also provides a computer-readable storage medium. In a computer-readable storage medium embodiment according to the present invention, the computer-readable storage medium can be configured to store a program for performing the method for synthesizing a mass spectrum of the above-mentioned method embodiment, and the program can be loaded and run by a processor to implement the method for synthesizing the above-mentioned mass spectrum. For ease of explanation, only the parts related to the embodiment of the present invention are shown. For specific technical details not disclosed, please refer to the method part of the embodiment of the present invention. The computer-readable storage medium can be a storage device formed by various electronic devices. Optionally, the computer-readable storage medium in the embodiment of the present invention is a non-transitory computer-readable storage medium.

[0182] Furthermore, it should be understood that since the configuration of each module is merely to illustrate the functional units of the apparatus of the present invention, the physical devices corresponding to these modules may be the processor itself, or a portion of the software in the processor, a portion of the hardware, or a combination of software and hardware. Therefore, the number of modules in the figure is merely illustrative.

[0183] Those skilled in the art will appreciate that the various modules in the device can be adaptively split or merged. Such splitting or merging of specific modules does not cause the technical solution to deviate from the principles of the present invention. Therefore, the technical solutions after splitting or merging will fall within the scope of protection of the present invention.

[0184] Thus far, the technical solutions of the present invention have been described in conjunction with the preferred embodiments shown in the accompanying drawings. However, it will be readily understood by those skilled in the art that the scope of protection of the present invention is obviously not limited to these specific embodiments. Without departing from the principles of the present invention, those skilled in the art may make equivalent changes or substitutions to the relevant technical features, and the technical solutions after such changes or substitutions will fall within the scope of protection of the present invention.

Claims

1. A method for synthesizing a mass spectrum, characterized in that: The method comprises: Obtaining a reference mass spectrum according to a plurality of mass spectra to be synthesized; Obtaining the interval start point and the interval end point of the interval of the mass spectrum to be synthesized, and selecting the interval length of the interval division; Dividing the mass spectrum to be synthesized into intervals according to the interval starting point, the interval end point, and the interval length to obtain a plurality of subintervals for each mass spectrum to be synthesized; Correcting each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra; obtaining a composite mass spectrum according to the multiple corrected mass spectra; The dividing the mass spectrum to be synthesized into intervals according to the interval starting point, the interval end point, and the interval length includes: For each mass spectrum to be synthesized, randomly select a point within the range from the starting point of the interval to the starting point of the interval plus the interval length as the random starting point of each mass spectrum to be synthesized; Divide the mass spectrum to be synthesized into intervals according to the interval starting point, the random starting point, the interval end point and the interval length; or, The dividing the mass spectrum to be synthesized into intervals according to the interval starting point, the interval end point, and the interval length includes: Grouping multiple mass spectra to be synthesized to obtain multiple groups of mass spectra to be synthesized; For each group of mass spectra to be synthesized, randomly select a point within the range from the starting point of the interval to the starting point of the interval plus the interval length as the random starting point of each group of mass spectra to be synthesized; For each mass spectrum to be synthesized in each group of mass spectra to be synthesized, the mass spectrum to be synthesized is divided into intervals according to the interval starting point, the random starting point, the interval end point and the interval length.

2. The method for synthesizing a mass spectrum according to claim 1, wherein The dividing the mass spectrum to be synthesized into intervals according to the interval starting point, the random starting point, the interval end point, and the interval length includes: The interval from the interval starting point to the random starting point is used as the first subinterval of the mass spectrum to be synthesized; Starting from the random starting point, sequentially dividing the subintervals after the first subinterval of the mass spectrum to be synthesized according to the interval lengths; The portion before the end point of the interval that is less than the length of the interval is used as the last sub-interval of the mass spectrum to be synthesized.

3. The method for synthesizing a mass spectrum according to claim 1, wherein The step of correcting each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra includes: For each subinterval, correcting the interval mass spectrum of each mass spectrum to be synthesized within the subinterval according to the reference mass spectrum to obtain a corrected mass spectrum of each mass spectrum to be synthesized within the subinterval; The corrected mass spectra in all subintervals of each mass spectrum to be synthesized are merged to obtain multiple corrected mass spectra.

4. The method for synthesizing a mass spectrum according to claim 3, wherein: Correcting the interval mass spectrum of each mass spectrum to be synthesized within the subinterval according to the reference mass spectrum to obtain a corrected mass spectrum of each mass spectrum to be synthesized within the subinterval includes: For each subinterval of each mass spectrum to be synthesized, obtaining a correlation sequence and an offset sequence between an interval mass spectrum of the mass spectrum to be synthesized within the subinterval and an interval mass spectrum of the reference mass spectrum within the subinterval; The interval mass spectrum of the mass spectrum to be synthesized within the subinterval is corrected according to the correlation sequence and the offset sequence to obtain a corrected mass spectrum of the mass spectrum to be synthesized within the subinterval.

5. The method for synthesizing a mass spectrum according to claim 4, wherein: The correcting the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the correlation sequence and the offset sequence includes: Obtaining a maximum correlation in the correlation sequence, and obtaining an offset in an offset sequence corresponding to the maximum correlation; Determining whether the maximum correlation is greater than a preset correlation threshold; If yes, correcting the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the offset; If not, the interval mass spectrum is directly used as the corrected mass spectrum of the mass spectrum to be synthesized within the sub-interval.

6. The method for synthesizing a mass spectrum according to claim 5, wherein: Correcting the interval mass spectrum of the mass spectrum to be synthesized within the subinterval according to the offset includes: According to the offset, the interval mass spectrum is shifted in the opposite direction to obtain a corrected mass spectrum within the sub-interval; or According to the offset, the data index of the interval mass spectrum is moved in the opposite direction to obtain a corrected mass spectrum in the sub-interval.

7. The method for synthesizing a mass spectrum according to claim 4, wherein: The obtaining of a correlation sequence and an offset sequence between an interval mass spectrum of the mass spectrum to be synthesized within the subinterval and an interval mass spectrum of the reference mass spectrum within the subinterval includes: The sampling points of the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are taken as discrete sequences, and the correlation sequence and offset sequence between the interval mass spectrum of the mass spectrum to be synthesized in the subinterval and the interval mass spectrum of the reference mass spectrum in the subinterval are obtained according to the following formula: Wherein, c(m) is the correlation sequence, x is the discrete sequence of interval mass spectra of the mass spectrum to be synthesized within the subinterval, y is the discrete sequence of interval mass spectra of the reference mass spectrum within the subinterval, m is the offset sequence, and maxlag is the offset threshold. is the correlation function between x and y, and the correlation function is obtained according to the following formula: n represents the nth sampling point in the discrete sequence, N is the total number of sampling points in the discrete sequence, and the asterisk represents the complex conjugate.

8. The method for synthesizing a mass spectrum according to claim 1, wherein The dividing the interval of the mass spectrum to be synthesized into intervals includes: Dividing the mass spectrum to be synthesized into mass intervals according to the mass intervals of the mass spectrum to be synthesized; or, The mass spectrum to be synthesized is divided into time intervals according to the time interval of the mass spectrum to be synthesized.

9. The method for synthesizing a mass spectrum according to claim 1, wherein: The step of obtaining a reference mass spectrum according to the plurality of mass spectra to be synthesized includes: Obtaining an average value or cumulative value of a same sampling point of the plurality of mass spectra to be synthesized as the value of the corresponding sampling point of the reference mass spectrum to obtain the reference mass spectrum; and / or, The step of obtaining a synthetic mass spectrum based on the plurality of corrected mass spectra includes: The average value or cumulative value of the same sampling point of the multiple corrected mass spectra is obtained as the value of the corresponding sampling point of the synthetic mass spectrum to obtain the synthetic mass spectrum.

10. A mass spectrum synthesis system, characterized in that: The system comprises: a reference mass spectrum acquisition module, configured to acquire a reference mass spectrum based on a plurality of mass spectra to be synthesized; a mass spectrum interval division module, configured to divide the interval of the mass spectrum to be synthesized into intervals to obtain a plurality of subintervals for each mass spectrum to be synthesized; a mass spectrum correction module, configured to correct each mass spectrum to be synthesized according to the reference mass spectrum and the subintervals to obtain a plurality of corrected mass spectra; a mass spectrum synthesis module, configured to obtain a synthesized mass spectrum based on the multiple corrected mass spectra; The mass spectrum interval division module is further configured to: for each mass spectrum to be synthesized, randomly select a point within the range from the interval start point to the interval start point plus the interval length as the random starting point of each mass spectrum to be synthesized; divide the mass spectrum to be synthesized into intervals according to the interval start point, the random starting point, the interval end point and the interval length; or, The mass spectrum interval division module is further configured to: group multiple mass spectra to be synthesized to obtain multiple groups of mass spectra to be synthesized; for each group of mass spectra to be synthesized, randomly select a point within the range from the interval starting point to the interval starting point plus the interval length as the random starting point of each group of mass spectra to be synthesized; for each mass spectrum to be synthesized in each group of mass spectra to be synthesized, divide the mass spectrum to be synthesized into intervals according to the interval starting point, the random starting point, the interval end point and the interval length.

11. A control device comprising a processor and a storage device, wherein the storage device is adapted to store a plurality of program codes, wherein: The program code is suitable for being loaded and executed by the processor to perform the mass spectrum synthesis method according to any one of claims 1 to 9.

12. A computer-readable storage medium storing a plurality of program codes, characterized in that: The program code is suitable for being loaded and run by a processor to execute the mass spectrum synthesis method according to any one of claims 1 to 9.

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