Methods, apparatus and storage media for acquiring high-resolution Fourier transform mass spectra.

By extracting a signal segment and performing phase correction in a Fourier transform mass spectrometer, and combining the absorption spectrum and amplitude spectrum, the problem of initial phase uncertainty was solved, enabling the acquisition of high-resolution mass spectra and improving the ability to analyze complex samples.

CN119413878BActive Publication Date: 2025-11-14NANKAI UNIV
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Patent Information

Application Number
CN202411496400.6
Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
Filing Date
2024-10-25
Publication Date
2025-11-14
Estimated Expiration
2044-10-25

AI Technical Summary

Technical Problem

Existing Fourier transform mass spectrometry instruments suffer from limited resolution due to initial phase uncertainty, making them unsuitable for the analysis of complex samples and difficult to couple with gas chromatography or liquid chromatography.

Method used

By extracting the original signal from the Fourier transform mass spectrometer to form two signal segments, calculating the phase correction amount to perform phase correction on the original signal, and combining the absorption spectrum and amplitude spectrum linearly, a high-resolution mass spectrum is obtained.

Benefits of technology

It significantly improves the resolution of mass spectra, increasing peak resolution by 1.5-4 times, making it suitable for complex sample analysis, metabolite identification, proteomics, and environmental pollutant analysis.

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Abstract

This invention provides a method, apparatus, and storage medium for acquiring high-resolution Fourier transform mass spectrometry, relating to the field of mass spectrometry technology. The method includes: acquiring a sampled signal as the original signal; extracting two continuous signal segments from the original signal to form a first signal segment and a second signal segment; performing a Fourier transform on the first and second signal segments to obtain a first frequency domain signal and a second frequency domain signal, and calculating the phase angle; constructing a phase correction value based on the difference between the phase angles of the first and second frequency domain signals; performing a Fourier transform on the original signal to obtain the original signal spectrum; performing phase correction on the original signal spectrum based on the phase correction value to obtain a phase-corrected spectrum; and acquiring a high-resolution mass spectrum based on the absorption spectrum of the phase-corrected spectrum. This method enables the acquisition of high-resolution mass spectrometry without developing new hardware, significantly improving the accuracy of the mass spectrometer.
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Description

Technical Field

[0001] This invention relates to the field of mass spectrometry, and more specifically, to a method, apparatus, and storage medium for acquiring high-resolution Fourier transform mass spectra. Background Technology

[0002] The basic principle of mass spectrometry is to ionize, separate, and detect sample molecules to obtain mass spectra of various compounds, and then infer their molecular structures based on these mass spectra. Mass spectrometry offers high sensitivity and accuracy for the samples being analyzed, playing a crucial role in fields such as metabolomics, proteomics, pesticide residue detection, and toxicology analysis. It has broad applicability, capable of analyzing various types of samples, including inorganic substances, organic substances, biomacromolecules, and polymers. Furthermore, it provides rapid response, completing the analysis of complex samples in a short time, making it widely applicable in fields requiring rapid results, such as clinical emergencies, food safety, and public safety.

[0003] In fields such as chemistry, biology, medicine, and environmental science, increasingly higher demands are being placed on the accuracy of analytical detection of complex samples. This demand also places higher requirements on 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 enabling precise identification and qualitative analysis of molecules. HRMS is particularly suitable for the analysis of complex samples, capable of distinguishing very close mass-to-charge ratios, providing accurate molecular weight information, and aiding in the determination of molecular formulas. Compared to traditional mass spectrometry techniques, high-resolution mass spectrometry offers higher resolution, which is crucial for metabolite identification, proteomics, and the analysis of environmental pollutants; its flexibility and applicability remain broad, applicable to various sample types and analytical needs, from basic scientific research to applied fields such as pharmaceuticals, environmental monitoring, and food safety. Therefore, the importance of HRMS in applications and research in food, environment, and chemical engineering is self-evident. To achieve this goal, various methods have been developed, among which the most crucial, effective, and currently highest-resolution method is Fourier transform mass spectrometry (FTMS). This involves acquiring the time-domain mirror current signal of ions undergoing cyclotron motion in a field through data acquisition, performing a Fourier transform to obtain the spectrum of ion motion, and further converting it into a high-resolution mass spectrum. The physical implementation of this method utilizes the characteristics of the cyclotron motion of charged particles in an electric or magnetic field for detection. Currently, there are two main sampling techniques: Fourier transform ion cyclotron resonance mass spectrometry based on a strong magnetic field (FT-ICRMS) and orbital trap mass spectrometry based on an electrostatic field (Orbitrap MS). In all FTMS, ions are trapped in a trap and undergo cyclotron motion. The induced current signal is represented by the sum of all quasi-periodic components of the ions. Each quasi-periodic component originates from an ion with a specific mass-to-charge ratio m / z, which determines the oscillation frequency. The mass spectrum is typically associated with the Fourier transform (FT) of transient sampling at equidistant points within the sampling time. The FTMS mass spectrometer acquires 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 introduce significant uncertainty into the initial phase of the acquired mirror current. Due to this initial phase uncertainty, FTMS mass spectrometry cannot utilize its phase information; that is, it can only use the amplitude spectrum after Fourier transform, which greatly limits the resolution of FTMS. To address the problem of the indeterminate initial phase in FTMS, the two widely used FTMS types (FTICR and Orbitrap) employ the following methods:

[0005] 1. In FTICR, due to the phase uncertainty of the acquired signal, FTICR mass spectrometry typically uses the amplitude spectrum. That is, it ignores the phase information, directly performs a Discrete Fourier Transform on the time-domain signal, obtains the amplitude spectrum, and then converts it into a mass spectrum. In this case, improving the mass spectrum resolution can only rely on extending the sampling time, resulting in a long cycle for a single experiment. Scientists have noticed this, and all developed methods based on polynomial fitting combine the initial phase calculated in the Discrete Fourier Transform with piecewise fitting followed by merging and fitting (or fitting using neural network methods). Then, by combining the mass spectra of standards, the parameters are refitted to achieve initial phase correction to some extent. This method has not been widely adopted for several reasons: 1) Its fitting process is extremely complex, involving too many parameters and issues such as phase wrapping, leading to excessive errors or overfitting; 2) Due to spectral leakage, the initial phase calculated through the Discrete Fourier Transform (DFT) is mostly incorrect; 3) This method is slow and requires refitting for different instrument operating conditions, making it difficult to apply to the analysis of complex samples; 4) This problem also makes it difficult to couple FT-ICR instruments with gas chromatography (GC) or liquid chromatography (LC), severely limiting its application in omics and complex sample analysis. The Discrete Fourier Transform (DFT) is a Fourier transform that presents a discrete form in both the time and frequency domains, transforming the sampling of a time-domain signal into a sample in the frequency domain of the discrete-time Fourier transform. Formally, the sequences at both ends of the transform (in the time and frequency domains) are of finite length, but in reality, both sets of sequences should be considered as principal value sequences of discrete periodic signals. Even when performing a DFT on a finite-length discrete signal, it should be considered as a periodically extended signal before the transform. In practical applications, the Fast Fourier Transform is usually used to efficiently compute the DFT.

[0006] 2. Based on the phase issues in FTICRMS mentioned above, the current approach used in Orbitrap mass spectrometers on the market involves hardware modifications combined with phase calculations via polynomial fitting. To achieve phase correction, Thermoelectric's patented technology features a specially designed injection excitation device for the Orbitrap mass spectrometer. They designed a device called a c-trap, an ion trap consisting of rod-shaped electrodes bent towards the Orbitrap inlet. In this design, the ion beam enters the gas-filled c-trap, loses energy upon collision, and is stored. When the radio frequency voltage applied to the c-trap electrodes decreases, a radial DC potential is applied to the electrodes, and ions are ejected along a line converging at the Orbitrap inlet. As ions enter the Orbitrap analyzer in small packets, the increased voltage on the central electrode "squeezes" the ions, forcing them to move simultaneously towards the center of the trap, thus exciting axial oscillations. The advantage of this is "introduction-initiated excitation," meaning all detected ions have essentially the same initial phase, with very small differences (typically less than 1 / 4 of a period). For such a 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. Based on this, high-resolution mass spectrometry can be achieved by combining amplitude and absorption spectra, typically increasing the resolution to 1.3-2 times the original value. This method is very effective, but it also has significant drawbacks: 1) It relies heavily on c-trap hardware design, greatly increasing the design and production costs of the mass spectrometer; furthermore, this method cannot be applied to other FTMS instruments (such as FTICR or Orbitrap without c-trap); 2) The fitting parameters are still greatly affected by instrument parameters, limiting the instrument's operating space.

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

[0008] This invention aims to solve at least one of the technical problems existing in the prior art or related technologies, and discloses a method, apparatus and storage medium for obtaining high-resolution Fourier transform mass spectra. It can obtain high-resolution mass spectra without developing new hardware, and significantly improve the accuracy of mass spectrometers.

[0009] The first aspect of this invention discloses a method for obtaining high-resolution Fourier transform mass spectrometry, comprising: acquiring an electrical signal generated when ions undergo cyclotron motion in an electric or magnetic field, 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 identical; 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, constructing a phase correction quantity based on the difference between the phase angles of the first frequency domain signal and 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 quantity 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 quantity includes at least the following:

[0011] Method 1: in, The phase angle of the first signal segment. The phase angle of the second signal segment; that is, the phase correction 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, The phase angle of the first signal segment. ω is the phase angle of the second signal segment, Ts is the frequency, and Ts is the reciprocal of the data sampling frequency. The data sampling frequency is the sampling frequency used to acquire the electrical signal. That is, the phase correction is the difference between the phase angles of the two signal segments minus twice the product of π and the frequency and the reciprocal of the sampling frequency.

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

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

[0015] The method for obtaining high-resolution Fourier transform mass spectra disclosed in this invention preferably further includes: baseline correction of the high-resolution mass spectra.

[0016] According to the method for obtaining high-resolution Fourier transform mass spectra disclosed in this invention, 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: extracting two continuous signal segments from the original signal as the first signal segment and the second signal segment; or extracting two continuous signal segments from the original signal, folding each extracted signal segment according to the midpoint of the extracted signal, and using the folded signal segment as the first signal segment and the second signal segment.

[0017] According to the method for obtaining high-resolution Fourier transform mass spectra disclosed in this invention, preferably, the first signal segment and the second signal segment have the same length.

[0018] According to the method for obtaining high-resolution Fourier transform mass spectra disclosed in this invention, preferably, the first signal segment and the second signal segment have an overlapping portion.

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

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

[0021] A fourth aspect of the present invention discloses a mass spectrometer, including an apparatus for acquiring high-resolution Fourier transform mass spectra as described above.

[0022] The beneficial effects of this invention include at least the following: the technical solution disclosed herein enables precise phase correction of time-domain signals with arbitrary initial phase distributions; and by introducing Fourier transform absorption spectroscopy, the resolution of the mass spectrum can be significantly improved, with peak resolution increasing by 1.5-4 times or more compared to the previously used amplitude spectrum. Therefore, this high resolution has significant application value in the research and development and production of high-resolution mass spectrometers, particularly in the analysis of complex samples such as metabolite identification, proteomics, and environmental pollutants. Attached Figure Description

[0023] Figure 1 A flowchart illustrating a method for obtaining high-resolution Fourier transform mass spectrometry 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 spectrometry according to an embodiment of the present invention is shown. Detailed Implementation

[0025] To better understand the above-mentioned objectives, features, and advantages of the present invention, the present invention will be further described in detail below with reference to the accompanying drawings and specific embodiments.

[0026] Numerous specific details are set forth in the following description in order to provide a full understanding of the invention. However, the invention may also be practiced in other ways different from those described herein, and therefore the invention is not limited to the specific embodiments disclosed below.

[0027] like Figure 1 As shown, according to an embodiment of the present invention, the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the present invention includes: Step S101, acquiring a sampling signal: acquiring the induced current signal generated when ions undergo cyclotron motion in an electric or magnetic field, as the original signal; Step S102, constructing two signal segments: 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 identical; Step S103, calculating a phase correction amount: performing a 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, calculating the phase angles of the first frequency domain signal and the second frequency domain signal respectively, and constructing a phase correction amount based on the difference between the phase angles of the first frequency domain signal and the second frequency domain signal; Step S104, transforming the original signal: performing a Fourier transform on the original signal to obtain the 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-corrected spectrum; Step S106, acquiring a mass spectrum: acquiring a high-resolution mass spectrum based on the absorption spectrum of the phase-corrected spectrum. The methods for constructing the phase correction quantity include at least: Method 1: in, The phase angle of the first signal segment. The phase angle of the second signal segment; that is, the phase correction is the difference between the phase angles of the two signal segments plus the phase angle of the first signal segment; Method 2: in, The phase angle of the first signal segment. Let ω be the phase angle of the second signal segment, ω be the frequency, and Ts be the reciprocal of the data sampling frequency; that is, the phase correction is the difference between the phase angles of the two signal segments minus twice the product of π and the frequency and the reciprocal of the sampling frequency.

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

[0029] This embodiment discloses two methods for constructing signal segments: 1. Using two different signal segments (subsets of the original signal) derived from the original signal as the first signal segment and the second signal segment, respectively; 2. First, extracting a signal segment from the original signal, then folding the extracted signal segment in half to obtain a folded signal segment. Two folded signal segments are obtained in this way, serving as the first signal segment and the second signal segment. The original signal is essentially a data sequence, and the extracted signal segment is a part of the data sequence. Folding means adding the data on both sides of the midpoint of the data sequence according to their order of appearance.

[0030] According to the above embodiments, preferably, step S106 specifically includes: obtaining the absorption spectrum of the phase correction spectrum and converting the absorption spectrum into a high-resolution mass spectrum; or obtaining the absorption spectrum of the phase correction spectrum and the amplitude spectrum of the phase correction spectrum, obtaining a combined spectrum based on the 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 embodiments, preferably, it further includes: filtering the absorption spectrum or combined spectrum before performing mass spectrometry conversion; and performing secondary filtering on the high-resolution mass spectrum obtained after mass spectrometry conversion to remove interference from current noise, instrument background noise, and known chemical noise.

[0032] According to the above embodiments, preferably, it further includes: baseline correction of the high-resolution mass spectrometer.

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

[0034] According to the above embodiments, preferably, the first signal segment and the second signal segment have an overlapping portion.

[0035] Another embodiment of the present invention discloses the implementation of the method for obtaining high-resolution Fourier transform mass spectrometry disclosed in the above embodiments in a practical application scenario: Addressing the widespread problem in current FTMS mass spectrometers where the initial phase of ion detection is uncertain, requiring the use of the amplitude spectrum obtained from discrete Fourier transform of the time-domain signal, resulting in poor resolution of the final output mass spectrum, a new method is proposed that does not require any new hardware, has no requirements on the initial phase distribution of ions, and can be applied to all types of FTMS. This method can achieve phase correction of ions in any FTMS, and based on this, by combining the absorption spectrum and amplitude spectrum and filtering, a real-time high-resolution Fourier transform mass spectrometry method is achieved. Under the same conditions, this method can improve the mass spectrum peak resolution to 1.3-3 times or higher than the original amplitude spectrum resolution. Specific implementation methods include:

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

[0037] In step 1, the data is acquired by obtaining current or voltage signals through the mass spectrometer data acquisition card, and the number of sampling points N, sampling frequency and other signal information are read to facilitate Fourier transform calculation.

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

[0039] In step 2, cutting indicates that the two data columns are derived from the original data, while shifting indicates that the data columns are taken from different starting points. Furthermore, the two data columns can have the same or different lengths.

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

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

[0042] F(ω)=∫F(t)e -iωt dt=A(ω)+iD(ω)

[0043] Where 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 sign, t is time, dt is the time differential, 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 separately, and construct the phase correction value based on the difference between the two.

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

[0046]

[0047] in, This represents the phase angle at frequency ω, and arctan represents taking the arctangent 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] Methods for constructing phase correction quantities include at least the following:

[0050] Method 1: in, The phase angle of the first signal segment. The phase angle of the second signal segment; that is, the phase correction 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, The phase angle of the first signal segment. Let ω be the phase angle of the second signal segment, ω be the frequency, and Ts be the reciprocal of the data sampling frequency; that is, the phase correction is the difference between the phase angles of the two signal segments minus twice the product of π and the frequency and the reciprocal of the sampling frequency.

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

[0053] Step 6: Perform phase correction on the spectrum obtained in Step 5 to obtain the phase-corrected Fourier transform spectrum Fc.

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

[0055]

[0056] Where 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. This is the phase correction amount. Let be the phase correction at frequency ω, where e is the natural exponent, i is the imaginary sign, t is time, and dt is the time differential.

[0057] Step 7: Obtain the corrected spectrum Fm by performing mass spectrometry conversion based on the absorption spectrum of Fc, or obtain the corrected spectrum Fm through a linear combination of the absorption spectrum and the amplitude spectrum. The amplitude spectrum can be obtained by taking the modulus of the Fourier transform spectrum.

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

[0059] Based on simulation and experiment, the weighting 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 weighting factor at the i-th data point, A(i) represents the value of the absorption spectrum at the i-th data point, M(i) represents the value of the amplitude spectrum at the i-th data point, and max represents taking the maximum value. h This is 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] Where E(i) represents the value of the combined Fourier transform spectrum at the i-th data point, W(i) represents the weighting 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 obtained spectrum 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 spectrometry M h .

[0070] like Figure 2 As shown, according to another embodiment of the present invention, an apparatus 200 for acquiring high-resolution Fourier transform mass spectrometry is also disclosed, comprising: a memory 201 for storing program instructions; and a processor 202 for calling the program instructions stored in the memory to implement the method for acquiring high-resolution Fourier transform mass spectrometry as described in the above embodiment.

[0071] According to another embodiment of the present invention, a computer-readable storage medium is also disclosed, which stores program code for implementing the method for obtaining high-resolution Fourier transform mass spectrometry as described in the above embodiments.

[0072] According to another embodiment of the present invention, a mass spectrometer is also disclosed, which includes the apparatus for acquiring high-resolution Fourier transform mass spectra as disclosed in the above embodiments.

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

[0074] The above description is merely a preferred embodiment of the present invention and is not intended to limit the invention. Various modifications and variations can be made to the present invention by those skilled in the art. Any modifications, equivalent substitutions, improvements, etc., made within the spirit and principles of the present invention should be included within the scope of protection of the present invention.

Claims

1. A method for obtaining high-resolution Fourier transform mass spectra, characterized in that, include: The electrical signal generated when ions undergo cyclotron motion in an electric or magnetic field is obtained as the original signal. Two continuous signal segments are extracted 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 identical; Perform Fourier transform on the first signal segment and the second signal segment to obtain the first frequency domain signal and the second frequency domain signal, calculate the phase angle of the first frequency domain signal and the second frequency domain signal respectively, and construct the 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. Perform a Fourier transform on the original signal to obtain the original signal spectrum; The original signal spectrum is phase-corrected according to the phase correction amount to obtain the phase-corrected spectrum; High-resolution mass spectra are obtained from the absorption spectra based on 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: Obtain the absorption spectrum of the phase-corrected spectrum and convert the absorption spectrum into a high-resolution mass spectrometer; or obtain the absorption spectrum of the phase-corrected spectrum and the amplitude spectrum of the phase-corrected spectrum, obtain a combined spectrum based on the linear combination of the absorption spectrum and the amplitude spectrum, and convert the combined spectrum into a high-resolution mass spectrometer.

3. The method for obtaining high-resolution Fourier transform mass spectrometry according to claim 2, characterized in that, Also includes: The absorption spectrum or the combined spectrum is filtered before mass spectrometry conversion; The high-resolution mass spectrometer obtained after mass spectrometry 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 spectra according to claim 1, characterized in that, Also includes: Baseline correction was performed on the high-resolution mass spectrometer.

5. The method for obtaining high-resolution Fourier transform mass spectra 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 extracted from the original signal to form a first signal segment and a second signal segment; or two continuous signal segments are extracted from the original signal, and each segment is folded according to the midpoint of the extracted 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 spectra 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 portions.

8. An apparatus for acquiring high-resolution Fourier transform mass spectra, characterized in that, include: Memory, used to store program instructions; A processor is configured to invoke the program instructions stored in the memory to implement the method for obtaining high-resolution Fourier transform mass spectrometry as described in any one of claims 1 to 7.

9. A computer-readable storage medium, characterized in that, The computer-readable storage medium stores program code for implementing the method for obtaining high-resolution Fourier transform mass spectrometry as described in any one of claims 1 to 7.

10. A mass spectrometer, characterized in that, The apparatus includes the device for obtaining high-resolution Fourier transform mass spectrometry as described in claim 8 above.

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