Method and device for acquiring high-resolution Fourier transform mass spectrum and storage medium

By intercepting the signal segments in the FTMS mass spectrometer for Fourier transform and phase correction, combined with the linear combination of absorption spectrum and amplitude spectrum, the resolution restriction caused by initial phase uncertainty is solved, and the resolution of the mass spectrometer is significantly improved rate and analysis accuracy.

CN119413878AActive Publication Date: 2025-02-11NANKAI UNIV
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Patent Information

Application Number
CN202411496400.6
Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
Filing Date
2024-10-25
Publication Date
2025-02-11
Estimated Expiration
2044-10-25

AI Technical Summary

Technical Problem

Due to the initial phase uncertainty, the existing FTMS mass spectrometers are limited in resolution and cannot effectively utilize phase information, which limits the resolution and analysis accuracy of the mass spectrometer.

Method used

By obtaining the electrical signal when ions circumcised in an electric field or magnetic field, intercepting two consecutive signals for Fourier transformation, calculating the phase angle difference to construct the phase correction amount, performing phase correction on the original signal spectrum, and combining absorption spectrum and amplitude spectrum for performing Linear combination to obtain high resolution mass spectrometry.

Benefits of technology

The resolution of the mass spectrometer is significantly improved, and the peak resolution of the mass spectrometer spectrum can be increased to 1.5-4 times or more, improving the accuracy and sensitivity of the analysis.

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Abstract

The invention provides a method and device for obtaining a high-resolution Fourier transform mass spectrum and a storage medium, and relates to the technical field of mass spectrometers, and the method comprises the steps: obtaining a sampling signal as an original signal; intercepting two sections of continuous signals from the original signal to form a first signal section and a second signal section; fourier transform is carried out on the first signal segment and the second signal segment, a first frequency domain signal and a second frequency domain signal are obtained, a phase angle is solved, and a phase correction value is constructed according to the difference between the phase angle of the first frequency domain signal and the phase angle of the second frequency domain signal; fourier transform is carried out on the original signal to obtain an original signal frequency spectrum; performing phase correction on the original signal spectrum according to the phase correction value to obtain a phase correction spectrum; a high resolution mass spectrum is obtained based on the absorption spectrum of the phase corrected spectrum. Under the condition that new hardware does not need to be developed, a high-resolution mass spectrum can be obtained, and the accuracy of the mass spectrum analyzer is remarkably improved.
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Description

Technical Field

[0001] The present invention relates to the technical field of mass spectrometers, and in particular to a method, device and storage medium for obtaining a high-resolution Fourier transform mass spectrum. Background Art

[0002] The basic principle of mass spectrometry is to obtain mass spectra of various compounds by ionizing, separating and detecting sample molecules, and to infer their molecular structures based on the mass spectra. Mass spectrometry has high sensitivity and accuracy for samples to be analyzed, and plays an important role in metabolomics, proteomics, pesticide residue detection, toxicology analysis and other fields; it has wide applicability, and can be applied to the analysis of various types of samples such as inorganic substances, organic substances, biomacromolecules and polymers; it can respond quickly and complete the analysis of complex samples in a short time, and has a wide range of applications in clinical emergency, food safety, public safety and other fields that require rapid results.

[0003] In the fields of chemistry, biology, medicine and environmental science, people have put forward higher and higher requirements for the accuracy of analysis and detection of complex samples. This demand also puts forward higher requirements for the mass spectrometry resolution of mass spectrometry instruments. High-resolution mass spectrometry (HRMS) technology can provide high-resolution mass spectra and measure the mass-to-charge ratio (m / z) of ions in complex samples with very high accuracy, thereby achieving accurate identification and qualitative analysis of molecules. HRMS is particularly suitable for the analysis of complex samples, and can distinguish very close mass-to-charge ratios, provide accurate molecular weight information, and help determine the molecular formula of molecules. Compared with traditional mass spectrometry technology, high-resolution mass spectrometry technology has higher resolution, which is very important for metabolite identification, proteomics and environmental pollutant analysis; flexibility and applicability are still extensive, and can be applied to various sample types and analysis needs, from basic scientific research to application fields such as pharmaceuticals, environmental monitoring and food safety. Therefore, the importance of HRMS in application and research fields such as food, environment, and chemical industry is self-evident. To achieve this goal, a variety of methods have been developed, among which the most critical, effective and currently the method with the highest resolution is Fourier transform mass spectrometry (FTMS): the time domain image current signal of ions performing cyclotron motion in the field is obtained through data acquisition, the spectrum of ion motion is obtained by Fourier transform, and further converted into a high-resolution mass spectrum. The physical implementation of this method is to detect the characteristics of the cyclotron motion of charged particles in an electric or magnetic field. There are currently two main sampling technologies: Fourier transform ion cyclotron resonance mass spectrometer (FT-ICRMS) based on a strong magnetic field and orbital trap mass spectrometer (Orbitrap MS) based on an electrostatic field. In all FTMS, ions are trapped in a trap for cyclotron motion, and their induced current signal is represented by the sum of all quasi-periodic components of the ions, each of which originates from an ion with a specific mass-to-charge ratio m / z, which determines the oscillation frequency. Mass spectra are usually associated with Fourier transforms (FTs) of transient sampling at equidistant points within the sampling time. The FTMS mass spectrometer obtains time-domain current signals through data acquisition, and further uses algorithm design to perform Fourier transform on the signals to obtain the spectrum of ion motion, and finally converts it into a high-resolution mass spectrum.

[0004] However, in all FTMS, the excitation, detection and other factors of different ions bring great uncertainty to the initial phase of the collected image current. Due to the uncertainty of the initial phase of the collected signal, the FTMS mass spectrometer cannot use its phase information, that is, it can only use the amplitude spectrum after Fourier transform, which greatly limits the resolution of FTMS. In order to solve the problem of the inability to determine the initial phase of FTMS, the two widely used types of FTMS (FTICR and Orbitrap) use the following methods:

[0005] 1. In FTICR, due to the phase uncertainty of the collected signal, the FTICR mass spectrometer usually uses an amplitude spectrum. That is, the phase information is ignored, and the time domain signal is directly discrete Fourier transformed. After taking the amplitude spectrum, it is converted into a mass spectrum. In this case, the improvement of the mass spectrum resolution can only rely on extending the sampling time, thereby making the single experiment run for a long time. Scientists have noticed this, and all the methods developed based on polynomial fitting are combined with the initial phase calculated in the discrete Fourier transform, merged and fitted after segmented fitting (or fitted based on a neural network method), and then re-fitted by combining the mass spectrum of the standard to achieve the correction of the initial phase to a certain extent. This method has not been widely used for the following reasons: 1) The fitting process is very complicated, too many parameters are introduced, and there are problems such as phase wrapping, which will cause large errors or easily form overfitting; 2) Due to spectrum leakage, most of the initial phases calculated by discrete Fourier transform in this method are incorrect; 3) This method runs slowly and needs to be refitted for different instrument operating conditions, making it difficult to apply to the actual analysis of complex samples; 4) This problem also makes it difficult to combine FT ICR instruments with gas chromatography (GC) or liquid chromatography (LC) technology, which greatly limits its application in omics and complex sample analysis. Among them, discrete Fourier transform (DFT): Fourier transform is a discrete form in both time domain and frequency domain, which transforms the sampling of time domain signal into sampling in discrete time Fourier transform frequency domain. In form, the sequences at both ends of the transform (in time domain and frequency domain) are of finite length, but in fact, both sets of sequences should be considered as the main value sequences of discrete periodic signals. Even if DFT is performed on a discrete signal of finite length, it should be regarded as a periodic signal after periodic extension and then transformed. In practical applications, fast Fourier transform is usually used to efficiently calculate DFT.

[0006] 2. Based on the above phase problem in FTICRMS, the method currently used by the Orbitrap mass spectrometer on the market is to change the hardware and combine it with the method of calculating the phase through polynomial fitting. In order to achieve phase correction, Thermo Electron's patented technology is to design an injection excitation device specifically for the Orbitrap mass spectrometer. They designed a device called c-trap, which is an ion trap composed of rod-shaped electrodes bent toward the entrance of the Orbitrap. In this design, the ion beam enters the gas-filled c-trap, loses energy after collision and is stored. When the RF voltage applied to the c-trap electrode drops, a radial DC potential is applied to the electrode, and the ions are ejected along the line converging at the entrance of the Orbitrap. When ions enter the Orbitrap analyzer in the form of small packets, the increase in voltage on the central electrode will "squeeze" the ions, forcing them to move toward the center of the trap at the same time, thereby exciting axial oscillations. The advantage of this is that "introduction is excitation", and the initial phases of all detected ions are basically the same, and the difference is very small (generally less than 1 / 4 cycle). For such a very small initial phase difference, it is easy to quickly determine the relevant parameters and achieve phase correction by comparing with standard samples and combining polynomial fitting. On this basis, high-resolution mass spectrometry is achieved by combining the amplitude spectrum and the absorption spectrum, and its resolution is generally improved to 1.3-2 times the original corresponding value. This method is very effective, but it also has obvious disadvantages: 1) It must rely on the hardware design of the c-trap, which greatly increases the design and production costs of the mass spectrometer. At the same time, this method cannot be applied to other FTMS (such as FTICR or Orbitrap without the help of c-trap); 2) Its fitting parameters are still greatly affected by the instrument parameters, and the instrument operation space is limited.

[0007] In summary, it is crucial to design an algorithm for Fourier transform high-resolution mass spectrometry that is independent of hardware and can be widely used in various FTMS. Summary of the invention

[0008] The present invention aims to solve at least one of the technical problems existing in the prior art or related art, and discloses a method, device and storage medium for obtaining a high-resolution Fourier transform mass spectrum. The method can obtain a high-resolution mass spectrum without developing new hardware, thereby significantly improving the accuracy of a mass spectrometer.

[0009] The first aspect of the present invention discloses a method for obtaining a high-resolution Fourier transform mass spectrum, comprising: obtaining an electric signal generated when an ion performs a cyclotron motion in an electric field or a magnetic field as an original signal; intercepting two continuous signal segments from the original signal to form a first signal segment and a second signal segment, the first signal segment and the second signal segment are not completely the same; performing Fourier transform on the first signal segment and the second signal segment to obtain a first frequency domain signal and a second frequency domain signal, respectively calculating the phase angles of the first frequency domain signal and the second frequency domain signal, and constructing a phase correction amount based on the difference between the phase angle of the first frequency domain signal and the phase angle of the second frequency domain signal; performing Fourier transform on the original signal to obtain an original signal spectrum; performing phase correction on the original signal spectrum according to the phase correction amount to obtain a phase-corrected spectrum; and obtaining a high-resolution mass spectrum based on the absorption spectrum of the phase-corrected spectrum.

[0010] In this technical solution, the method for constructing the phase correction amount at least includes:

[0011] Method 1: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment; that is, the phase correction amount is the difference between the phase angles of the two signal segments plus the phase angle of the first signal segment;

[0012] Method 2: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment, ω is the frequency, Ts is the reciprocal of the data sampling frequency, and the data sampling frequency is the sampling frequency used to obtain the electrical signal, that is, the phase correction amount is the difference between the phase angles of the two signals minus twice the product of π and the frequency and the reciprocal of the sampling frequency.

[0013] According to the method for obtaining a high-resolution Fourier transform mass spectrum disclosed in the present invention, preferably, the step of obtaining a high-resolution mass spectrum based on the absorption spectrum of the phase-corrected spectrum specifically includes: obtaining the absorption spectrum of the phase-corrected spectrum, and converting the absorption spectrum into a high-resolution mass spectrum; or obtaining the absorption spectrum of the phase-corrected spectrum and obtaining the amplitude spectrum of the phase-corrected spectrum, obtaining a combined spectrum based on a linear combination of the absorption spectrum and the amplitude spectrum, and converting the combined spectrum into a high-resolution mass spectrum.

[0014] According to the method for obtaining a high-resolution Fourier transform mass spectrum disclosed in the present invention, preferably, it also includes: filtering the absorption spectrum or the combined spectrum before performing mass spectrum conversion; and performing secondary filtering on the high-resolution mass spectrum obtained after the mass spectrum conversion to remove interference from current noise, instrument background noise, and known chemical noise.

[0015] The method for obtaining a high-resolution Fourier transform mass spectrum disclosed in the present invention preferably further comprises: performing a baseline correction on the high-resolution mass spectrum.

[0016] According to the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the present invention, preferably, the step of intercepting two continuous signal segments from the original signal to form a first signal segment and a second signal segment specifically includes: intercepting two continuous signal segments from the original signal as the first signal segment and the second signal segment; or intercepting two continuous signal segments from the original signal, folding each intercepted signal segment according to the midpoint of the intercepted signal, and using the folded signal segments as the first signal segment and the second signal segment.

[0017] According to the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the present invention, preferably, the lengths of the first signal segment and the second signal segment are the same.

[0018] According to the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the present invention, preferably, there is an overlapping portion between the first signal segment and the second signal segment.

[0019] The second aspect of the present invention discloses a device for obtaining a high-resolution Fourier transform mass spectrum, comprising: a memory for storing program instructions; a processor for calling the program instructions stored in the memory to implement a method for obtaining a high-resolution Fourier transform mass spectrum as described in any of the above technical solutions.

[0020] A third aspect of the present invention discloses a computer-readable storage medium storing a program code, wherein the program code is used to implement a method for obtaining a high-resolution Fourier transform mass spectrum as described in any of the above technical solutions.

[0021] A fourth aspect of the present invention discloses a mass spectrometer, comprising a device for obtaining a high-resolution Fourier transform mass spectrum as described in the above technical solution.

[0022] The beneficial effects of the present invention include at least: the technical solution disclosed in the present invention can realize accurate phase correction for time domain signals of any initial phase distribution, and by introducing Fourier transform absorption spectrum, the resolution of mass spectrum can be significantly improved, and the peak resolution of mass spectrum is improved by 1.5-4 times or more compared with the amplitude spectrum used originally. Therefore, this high resolution has important application value in the research and development and production of high-resolution mass spectrometers, and in complex sample analysis, such as metabolite identification, proteomics and environmental pollutants. BRIEF DESCRIPTION OF THE DRAWINGS

[0023] Figure 1 A schematic flow chart of a method for obtaining a high-resolution Fourier transform mass spectrum according to an embodiment of the present invention is shown.

[0024] Figure 2 A schematic block diagram of an apparatus for acquiring high-resolution Fourier transform mass spectrum according to an embodiment of the present invention is shown. DETAILED DESCRIPTION

[0025] In order to more clearly understand the above-mentioned objects, features and advantages of the present invention, the present invention is further described in detail below with reference to the accompanying drawings and specific embodiments.

[0026] In the following description, many specific details are set forth to facilitate a full understanding of the present invention. However, the present invention may also be implemented in other ways different from those described herein. Therefore, the present invention is not limited to the specific embodiments disclosed below.

[0027] like Figure 1 As shown, according to one embodiment of the present invention, the method for obtaining a high-resolution Fourier transform mass spectrum disclosed in the present invention includes: step S101, obtaining a sampling signal: obtaining an induced current signal generated when an ion performs a cyclotron motion in an electric field or a magnetic field as an original signal; step S102, constructing two signal segments: intercepting two continuous signal segments from the original signal to form a first signal segment and a second signal segment, the first signal segment and the second signal segment are not completely the same; step S103, calculating a phase correction amount: performing Fourier transform on the first signal segment and the second signal segment to obtain a first frequency domain signal and a second frequency domain signal, respectively calculating the phase angles of the first frequency domain signal and the second frequency domain signal, and constructing a phase correction amount based on the difference between the phase angle of the first frequency domain signal and the phase angle of the second frequency domain signal; step S104, original signal transformation: performing Fourier transform on the original signal to obtain an original signal spectrum; step S105, correcting the original signal: performing phase correction on the original signal spectrum according to the phase correction amount to obtain a phase correction spectrum; step S106, obtaining a mass spectrum: obtaining a high-resolution mass spectrum based on the absorption spectrum of the phase correction spectrum. The method for constructing the phase correction amount at least includes: Method 1: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment; that is, the phase correction amount is the difference between the phase angles of the two signal segments plus the phase angle of the first signal segment; Method 2: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment, ω is the frequency, and Ts is the inverse of the data sampling frequency; that is, the phase correction amount is the difference between the phase angles of the two signal segments minus twice the product of π and the frequency and the inverse of the sampling frequency.

[0028] According to the above embodiment, preferably, step S102 specifically includes: intercepting two continuous signal segments from the original signal as the first signal segment and the second signal segment; or intercepting two continuous signal segments from the original signal, folding each intercepted signal segment according to the midpoint of the intercepted signal, and using the folded signal segments as the first signal segment and the second signal segment.

[0029] In this embodiment, two methods for constructing signal segments are disclosed: 1. Two different signal segments (subsets of the original signal) derived from the original signal are respectively used as the first signal segment and the second signal segment; 2. A signal segment is first intercepted from the original signal, and the intercepted signal segment is folded in half from the middle to obtain a folded signal segment, and two folded signal segments are obtained in this way as the first signal segment and the second signal segment. The essence of the original signal is a data sequence, and the intercepted signal segment is a part of the data sequence. Folding means that the data on both sides of the midpoint of the data sequence are added in the order of their appearance.

[0030] According to the above embodiment, preferably, step S106 specifically includes: obtaining an absorption spectrum of a phase-corrected spectrum, and converting the absorption spectrum into a high-resolution mass spectrum; or obtaining an absorption spectrum of a phase-corrected spectrum and obtaining an amplitude spectrum of the phase-corrected spectrum, obtaining a combined spectrum based on a linear combination of the absorption spectrum and the amplitude spectrum, and converting the combined spectrum into a high-resolution mass spectrum.

[0031] According to the above embodiment, preferably, it also includes: filtering the absorption spectrum or the combined spectrum before mass spectrum conversion; and performing secondary filtering on the high-resolution mass spectrum obtained after the mass spectrum conversion to remove interference from current noise, instrument background noise and known chemical noise.

[0032] According to the above embodiment, preferably, the method further includes: performing baseline correction on the high-resolution mass spectrum.

[0033] According to the above embodiment, preferably, the first signal segment and the second signal segment have the same length.

[0034] According to the above embodiment, preferably, there is an overlapping portion between the first signal segment and the second signal segment.

[0035] According to another embodiment of the present invention, the implementation method of the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the above embodiment in an actual application scenario is also disclosed: in view of the problem that the initial phase is uncertain during ion detection in current FTMS mass spectrometers, and only the amplitude spectrum after discrete Fourier transform of the time domain signal can be used, resulting in poor resolution of the mass spectrum output at the end, a new method is proposed that does not require any new hardware equipment, has no requirements for the initial phase distribution of ions, and can be applied to all types of FTMS. This method can realize the phase correction of ions in any FTMS, and on this basis, by combining the absorption spectrum and the amplitude spectrum, and filtering, a method of real-time Fourier transform high-resolution mass spectrometry is realized. This method can improve the mass spectrum peak resolution to 1.3-3 times or higher than the resolution corresponding to the original amplitude spectrum under the same other conditions. Specific implementation methods include:

[0036] Step 1: Import the collected data and obtain signal information such as the number of sampling points N and sampling frequency.

[0037] In step 1, the collected data is the current or voltage signal obtained by the mass spectrometer data acquisition card, and the signal information such as the number of sampling points N and the sampling frequency are read at the same time to facilitate Fourier transform calculation.

[0038] Step 2: Cut and shift the original data to form two data columns (signal segments). For example, it can be done in the following way: starting from the 1st point, take X points and use these X points as sequence X1; then starting from X / 2+1 points, take X points and use this as X2.

[0039] In step 2, cutting means that the two data columns formed are from the original data, and shifting means that the starting points of the data columns are different. In addition, the lengths of the two data columns can be the same or different.

[0040] Step 3: Perform Fourier transform on the two signals to obtain corresponding frequency domain signals F1 and F2.

[0041] In step 3, the calculation process of Fourier transform is as follows:

[0042] F(ω)=∫F(t)e -iωt dt=A(ω)+iD(ω)

[0043] Among them, F(ω) represents the frequency domain signal, ω is the frequency value, F(t) represents the time domain signal, e is the natural exponent, i is the imaginary number sign, t is the time, dt is the time differential sign, A(ω) is the absorption spectrum in the frequency domain signal, and D(ω) is the dispersion spectrum in the frequency domain signal.

[0044] Step 4: Calculate the phase angle of the signal respectively and construct the phase correction value based on the difference between the two.

[0045] In step 4, the calculation process for solving the phase angle is as follows:

[0046]

[0047] in, represents the phase angle at the frequency ω, arctan represents the inverse tangent function,

[0048] Im(ω) is the imaginary part of the complex frequency domain signal, and Re(ω) is the real part of the complex frequency domain signal.

[0049] The method of constructing the phase correction amount includes at least:

[0050] Method 1: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment; that is, the phase correction amount is the difference between the phase angles of the two signal segments plus the phase angle of the first signal segment;

[0051] Method 2: in, is the phase angle of the first signal segment, is the phase angle of the second signal segment, ω is the frequency, and Ts is the inverse of the data sampling frequency; that is, the phase correction amount is the difference between the phase angles of the two signal segments minus twice the product of π and the frequency and the inverse of the sampling frequency.

[0052] Step 5: Zero-fill the original signal and perform Fourier transform to obtain its spectrum Fo.

[0053] Step 6: Perform phase correction on the frequency spectrum obtained in step 5 to obtain a Fourier transform spectrum Fc after phase correction.

[0054] In step 6, the phase correction calculation process is as follows:

[0055]

[0056] Among them, G(ω) represents the frequency domain signal after phase correction, F(ω) represents the frequency domain signal, ω is the frequency value, and F(t) represents the time domain signal. is the phase correction amount, is the phase correction at frequency ω, e is the natural exponent, i is the imaginary sign, t is time, and dt is the time differential sign.

[0057] Step 7: Perform mass spectrum conversion according to the absorption spectrum of Fc to obtain the corrected spectrum Fm, or obtain the corrected spectrum Fm by linear combination of the absorption spectrum and the amplitude spectrum, wherein the amplitude spectrum can be obtained by taking the modulus of the Fourier transform spectrum.

[0058] In step 7, the linear combination step specifically includes:

[0059] According to simulation and experiment, the weight function W(i) corresponding to different frequencies of the spectrum is obtained;

[0060] W(i)=W h *(A(i) / max(A(i))*(M(i) / max(M(i))

[0061] Where W(i) represents the weight factor at the i-th data point, A(i) represents the value at the i-th data point of the absorption spectrum, M(i) represents the value at the i-th data point of the amplitude spectrum, max represents the maximum value, and W h A set parameter.

[0062] Using the obtained weight function W(i), the corresponding combined Fourier transform spectrum is obtained:

[0063] E(i)=W(i)*[A(i)-M(i)]+A(i)

[0064] Wherein, E(i) represents the value of the combined Fourier transform spectrum at the i-th data point, W(i) represents the weight factor at the i-th data point, A(i) represents the value of the absorption spectrum at the i-th data point, and M(i) represents the value of the amplitude spectrum at the i-th data point.

[0065] Step 8: Filter the corrected spectrum Fm to remove noise.

[0066] Step 9: Convert the spectrum obtained above to obtain the corresponding mass spectrum M. The mass spectrum obtained in this step is actually a high-resolution mass spectrum.

[0067] Step 10: Perform secondary filtering to remove interference from current noise, instrument background noise, and known chemical noise.

[0068] Step 11: Perform baseline correction.

[0069] Step 12: Obtain high-resolution mass spectra h .

[0070] like Figure 2 As shown, according to another embodiment of the present invention, a device 200 for obtaining a high-resolution Fourier transform mass spectrum is also disclosed, including: a memory 201, used to store program instructions; a processor 202, used to call the program instructions stored in the memory to implement the method for obtaining a high-resolution Fourier transform mass spectrum as in the above embodiment.

[0071] According to another embodiment of the present invention, a computer-readable storage medium is disclosed. The computer-readable storage medium stores program codes, and the program codes are used to implement the method for obtaining a high-resolution Fourier transform mass spectrum as described in the above embodiment.

[0072] According to yet another embodiment of the present invention, a mass spectrometer is disclosed. The mass spectrometer includes the device for acquiring high-resolution Fourier transform mass spectrum as disclosed in the above embodiment.

[0073] All or part of the steps in the various methods of the above embodiments can be completed by controlling the relevant hardware through a program, and the program can be stored in a readable storage medium, and the storage medium includes a read-only memory (ROM), a random access memory (RAM), a programmable read-only memory (PROM), an erasable programmable read-only memory (EPROM), a one-time programmable read-only memory (OTPROM), an electronically erasable programmable read-only memory (EEPROM), a compact disc read-only memory (CD-ROM) or other optical disc storage, magnetic disk storage, magnetic tape storage, or any other readable medium that can be used to carry or store data.

[0074] The above description is only a preferred embodiment of the present invention and is not intended to limit the present invention. For those skilled in the art, the present invention may have various modifications and variations. Any modification, equivalent replacement, improvement, etc. made within the spirit and principle of the present invention shall be included in the protection scope of the present invention.

Claims

1. A method for obtaining high-resolution Fourier transform mass spectrometry, characterized in that: include: The electrical signal generated when the ions perform cyclotron motion in the electric field or magnetic field is obtained as the original signal; Extracting two continuous signal segments from the original signal to form a first signal segment and a second signal segment, wherein the first signal segment and the second signal segment are not completely the same; Performing Fourier transform on the first signal segment and the second signal segment to obtain a first frequency domain signal and a second frequency domain signal, respectively calculating the phase angles of the first frequency domain signal and the second frequency domain signal, and constructing a phase correction amount based on the difference between the phase angle of the first frequency domain signal and the phase angle of the second frequency domain signal; Performing Fourier transform on the original signal to obtain the original signal spectrum; Performing phase correction on the original signal spectrum according to the phase correction amount to obtain a phase-corrected spectrum; A high-resolution mass spectrum is acquired based on the absorption spectrum of the phase-corrected spectrum.

2. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 1, characterized in that: The step of obtaining a high-resolution mass spectrum based on the absorption spectrum of the phase-corrected spectrum specifically includes: Acquire an absorption spectrum of the phase-corrected spectrum, and convert the absorption spectrum into a high-resolution mass spectrum; or acquire the absorption spectrum of the phase-corrected spectrum and acquire an amplitude spectrum of the phase-corrected spectrum, acquire a combined spectrum based on a linear combination of the absorption spectrum and the amplitude spectrum, and convert the combined spectrum into a high-resolution mass spectrum.

3. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 2, characterized in that: Also includes: filtering the absorption spectrum or the combined spectrum before mass spectral conversion; The high-resolution mass spectrum obtained after mass spectrum conversion is subjected to secondary filtering to remove interference from current noise, instrument background noise and known chemical noise.

4. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 1, characterized in that: Also includes: The high resolution mass spectra were baseline corrected.

5. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 1, characterized in that: The step of extracting two continuous signal segments from the original signal to form a first signal segment and a second signal segment specifically includes: Two continuous signal segments are intercepted from the original signal as the first signal segment and the second signal segment; or two continuous signal segments are intercepted from the original signal, each intercepted signal segment is folded according to the midpoint of the intercepted signal, and the folded signal segments are used as the first signal segment and the second signal segment.

6. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 1, characterized in that: The first signal segment and the second signal segment have the same length.

7. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 1, characterized in that: The first signal segment and the second signal segment have overlapping parts.

8. A device for obtaining high-resolution Fourier transform mass spectrometry, characterized in that: include: A memory for storing program instructions; A processor, configured to call the program instructions stored in the memory to implement the method for acquiring a high-resolution Fourier transform mass spectrum according to any one of claims 1 to 7.

9. A computer-readable storage medium, characterized in that: The computer-readable storage medium stores a program code, and the program code is used to implement the method for acquiring a high-resolution Fourier transform mass spectrum according to any one of claims 1 to 7.

10. A mass spectrometer, characterized in that: The device for obtaining high-resolution Fourier transform mass spectrum comprises the device as claimed in claim 8 above.

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