CN115144457A - Portable mass spectrum analyzer, analysis method and terminal - Google Patents
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Abstract
The invention provides a portable mass spectrometer, an analysis method and a terminal, and belongs to the technical field of mass spectrometry. The analyzer comprises a mass spectrogram acquisition unit, a standard mass spectrogram query unit, a data extraction unit, a threshold adjustment unit and a model loading unit. Inputting the first characteristic spectral line length serving as a query parameter into a standard mass spectrogram query unit to query to obtain a plurality of standard mass spectrograms, and determining potential pesticide residue categories contained in the sample to be tested based on the standard mass spectrograms; and the model loading unit loads the corresponding pesticide residue identification model based on the potential pesticide residue category to identify the pesticide residue content in the sample to be detected. The analysis method further comprises the step of adjusting a threshold value of the characteristic spectral line length when a first number of standard spectral lines obtained through query of the first characteristic spectral line length in the cloud standard spectral database does not meet a preset condition. The invention also provides portable terminal equipment for realizing the method. The invention can realize the rapid identification of various pesticide residues.
Description
Technical Field
The invention belongs to the technical field of mass spectrometry, and particularly relates to a portable mass spectrometer, an analysis method and a terminal.
Background
Mass spectrometry is an analysis method for analyzing by measuring the mass-to-charge ratio (m/z) of ions of a sample to be tested. The method comprises the steps of firstly ionizing a sample to be detected, then separating ions according to mass-to-charge ratios by utilizing different movement behaviors of different ions in an electric field or a magnetic field to obtain a mass spectrum, and obtaining a qualitative and quantitative result of the mass spectrum through mass spectrum information of the sample.
Mass spectrometry is one of the important means for detecting pesticide residues. The molecular weight, molecular formula and molecular structure of the pesticide residue compound can be determined by mass spectrometry, and qualitative analysis of unknown pesticide residues can be performed according to the property; the peak intensity (line length/amplitude) is closely related to the content of the compound, and the quantitative analysis of the pesticide residue in the category can be carried out after the category is determined. As a specific example, a certain (determined) standard sample of the target a to be detected can be prepared in advance, and then the mass spectrum a (also called spectrum a) thereof is measured; and then, performing mass spectrometry on a sample O to be detected which (possibly) contains the target to be detected to obtain a mass spectrogram O to be detected, and comparing the mass spectrogram A of the standard sample with the mass spectrogram O to be detected to analyze whether the sample O to be detected contains the target A to be detected and specific concentration numerical values (proportion, content and the like). In the detection process, what kind of target needs to be detected is known before detection, so that the corresponding mass spectrometry method can be called correspondingly when mass spectrum matching is performed subsequently.
However, in practical application, the agricultural products are found to involve a large number of chemical drugs and are continuously updated and changed, the spectrum library and the detection method are relatively updated and lagged, so that the failure phenomenon exists, and the potential pesticide residue category and content cannot be effectively detected.
Disclosure of Invention
In order to solve the technical problems, the invention provides a portable mass spectrum analyzer, an analysis method and a terminal.
In a first aspect of the present invention, a portable mass spectrometer is presented, comprising a mass spectrum acquisition unit, a data extraction unit, a standard mass spectrum query unit, a threshold adjustment unit, and a model loading unit;
the mass spectrogram acquisition unit is used for acquiring mass spectrogram data of a sample to be detected;
the data extraction unit is used for extracting the length of a first characteristic spectral line in the mass spectrogram data, wherein the first characteristic spectral line is a spectral line with the longest length in the mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
the first set threshold is dynamically set within a preset range by the threshold adjusting unit;
inputting the first characteristic spectral line length as a query parameter to the standard mass spectrogram query unit, querying by the standard mass spectrogram query unit to obtain a plurality of standard mass spectrograms, and determining potential pesticide residue categories contained in the sample to be tested based on the standard mass spectrograms;
and the model loading unit loads a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifies the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
Further, the portable mass spectrum analyzer further comprises a wireless communication unit, the standard mass spectrum query unit is in communication with a cloud standard mass spectrum database through the wireless communication unit, and the standard mass spectrum query unit queries in the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a plurality of standard mass spectra.
The cloud standard mass spectrum database is stored with a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms in advance;
the second characteristic spectral line is the spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold.
The standard mass spectrum query unit obtains a plurality of standard mass spectra in the cloud standard mass spectrum database through the query of the first characteristic spectral line length, and specifically includes:
and if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as the standard mass spectrogram obtained by the query of the standard mass spectrogram query unit.
The standard mass spectrogram query unit queries a first number of standard mass spectrograms;
if the first number meets a second preset condition, the threshold value adjusting unit resets the first set threshold value within a preset range.
The scheme can further consider all possible deletion conditions, and the matching range is expanded as much as possible, which is determined by the safety of the food and is closely related to the detection object (pesticide residue) of the application.
In a second aspect of the invention, a portable mass spectrometry method is provided, which is implemented on the basis of the portable mass spectrometer of the first aspect.
Specifically, the method comprises the following steps:
s710: acquiring mass spectrogram data of a sample to be detected;
s720: extracting a first characteristic spectral line length in the mass spectrogram data; the first characteristic spectral line is a spectral line with the longest length in a mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
s730: querying the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a first number of standard mass spectrograms;
and S740: judging whether the first quantity meets a second preset condition, and if so, entering a step S750;
otherwise, adjusting the first set threshold value, and returning to the step S720;
s750: determining potential pesticide residue categories contained in the sample to be detected based on the first number of standard mass spectrograms;
s760: and loading a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifying the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
When the method is executed, the cloud standard mass spectrum database stores a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms in advance;
the second characteristic spectral line is a spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold;
the step S730 specifically includes: and if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as one of the first number of standard mass spectrograms.
The step S750 is to determine a first number of categories of potential pesticide residues contained in the sample to be tested based on the first number of standard mass spectrograms;
the step S760 loads the corresponding pesticide residue identification model based on the potential pesticide residues of the first number of categories, and the pesticide residue identification model quantitatively identifies a specific numerical value of the potential pesticide residues of each category.
The above-described method may also be implemented in the form of computer program instructions, in the form of computer storage media, by computer devices, portable terminal devices, visualization terminals, and the like.
Accordingly, in a third aspect of the present invention, there is also provided a portable terminal comprising a memory and a processor, the memory storing computer program instructions for execution by the processor for implementing all the steps of a portable mass spectrometry method according to the second aspect.
According to the technical scheme, before pesticide residue detection is executed, the specific type of pesticide residue to be detected does not need to be preset, and the pesticide residue identification model to be loaded is determined to execute quantitative analysis after the potential pesticide residue range of the sample to be detected is determined based on the sample mass spectrum and the standard mass spectrum database, so that the defect that only targeted analysis can be realized in the prior art is overcome; meanwhile, the method for determining the potential pesticide residue range adopts the modes of matching such as spectral line amplitude value ratio (difference, square) and the like, so that the matching result is still not influenced when some affine transformation or rotation transformation occurs in a mass spectrogram.
In addition, it should be noted that the technical solution of the present invention is used for pesticide residue detection in the field of food safety, and therefore, the detection range needs to be expanded as much as possible, and therefore, the analysis method further includes adjusting the threshold of the characteristic spectral line length when the first number of the standard spectral lines obtained by querying the cloud standard spectral line database through the first characteristic spectral line length does not meet the preset condition, and can further consider all possible missing situations, and expand the matching range as much as possible, which is determined by the safety of the food itself and is closely related to the detection object (pesticide residue) of the present application.
Further advantages of the invention will be apparent in the detailed description section in conjunction with the drawings attached hereto.
Drawings
In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings required in the embodiments will be briefly described below, it is obvious that the drawings in the following description are only some embodiments of the present invention, and it is obvious for those skilled in the art that other drawings can be obtained according to the drawings without creative efforts.
FIG. 1 is a schematic block diagram of a portable mass spectrometer according to an embodiment of the present invention;
FIG. 2 is a schematic diagram of a further preferred embodiment of a portable mass spectrometer in accordance with an embodiment of the invention;
FIG. 3 is a schematic diagram of a mass spectrum and a standard mass spectrum of a sample to be tested according to various embodiments of the present invention;
FIG. 4 is a schematic block flow diagram of a method of portable mass spectrometry in accordance with an embodiment of the present invention;
fig. 5 is a schematic diagram of a portable terminal and a storage medium for implementing one of the portable mass spectrometry methods described in fig. 4.
Detailed Description
The invention is further described with reference to the following drawings and detailed description.
Different embodiments of this section solve one or more of the above-mentioned technical problems separately, and achieve the corresponding technological effect, different embodiment combinations can solve all technical problems mentioned and achieve all technical effects; however, it is not required that every single embodiment of the present invention solve all the technical problems or achieve all the improvements. The solution to a problem or the improved corresponding embodiment of a single technical effect may both constitute independent technical solutions of the present invention.
Meanwhile, in this section, in order to make technical solutions better understood by those skilled in the art, some prior art documents or technical principle descriptions are introduced, and these prior art documents or technical principle descriptions also form a part of the technical solutions of the present invention.
First, refer to fig. 1. FIG. 1 is a schematic diagram of the modular elements of a portable mass spectrometer according to one embodiment of the present invention.
In fig. 1, the portable mass spectrometer comprises a mass spectrum acquisition unit, a standard mass spectrum query unit, a data extraction unit, a threshold adjustment unit, and a model loading unit;
the mass spectrogram acquisition unit is used for acquiring mass spectrogram data of a sample to be detected;
the data extraction unit is used for extracting the length of a first characteristic spectral line in the mass spectrogram data, wherein the first characteristic spectral line is a spectral line with the longest length in the mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
the first set threshold is dynamically set within a preset range by the threshold adjusting unit;
inputting the first characteristic spectral line length as a query parameter to the standard mass spectrogram query unit, querying by the standard mass spectrogram query unit to obtain a plurality of standard mass spectrograms, and determining potential pesticide residue categories contained in the sample to be tested based on the standard mass spectrograms;
and the model loading unit loads a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifies the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
See, more particularly, fig. 2. FIG. 2 is a schematic diagram of a further preferred embodiment of a portable mass spectrometer in accordance with an embodiment of the invention.
In fig. 2, the portable mass spectrometer further comprises a wireless communication unit, the standard mass spectrum query unit communicates with a cloud standard mass spectrum database through the wireless communication unit, and the standard mass spectrum query unit queries in the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a plurality of standard mass spectra.
Next, referring to fig. 3, fig. 3 is a schematic diagram of a mass spectrum and a standard mass spectrum of a sample to be tested according to various embodiments of the present invention, and further illustrates the principle of the technical solution of the present invention.
In the examples of the present invention, for convenience of description, the sample to be tested is a Food (Food) sample, which is assumed to contain a certain pesticide residue compound Pre (or certain pesticide residues);
of course, the sample to be tested may also be vegetables, fruits, etc. Generally speaking, for such samples to be tested related to food safety, the industry standards or national standards have corresponding food safety standards, and it is clear that some compounds cannot be added (or are not detected), and the content of some compounds which can be added needs to be lower than a certain standard threshold.
Therefore, the categories of pesticide residues (compounds) to which embodiments of the present invention relate are also specified according to the above-mentioned industry or national standards.
However, in either case, the class of pesticide residue (compound) is not just one, but many, and it is not known which one is to be tested, i.e., the "non-targeted" test, prior to testing.
In fig. 3, four standard mass spectrograms are schematically shown on the left of the dotted line, and are stored in the cloud standard mass spectrogram database, where the four standard mass spectrograms are mass spectrograms obtained by a mass spectrometer in advance for standard samples (including certain standard pesticide residues), and certain standardization processing is performed, including noise reduction, normalization and other means.
For convenience of description, four standard mass spectrograms in FIG. 3 were assumed to be standard food sample FOO 1 、DFOO 2 、DFOO 3 、DFOO 4 D spectrum Spe of standard substance 1 、Spe 2 、Spe 3 、Spe 4 The pesticide residue (compound) is Res 1 、Res 2 、Res 3 、Res 4 ；
The mass spectrogram data Spe of the sample to be detected is shown on the right side of the dotted line o Schematically, fig. 3 shows two different mass spectra in a sample to be tested;
as can be seen, the mass spectrum Spe of the sample to be detected o There is significant noise and the amplitude range of some mass spectra are not normalized.
It can be understood that, if the second amplitude value of each spectral line in the sample mass spectrogram is the same as the first amplitude value of each spectral line in the corresponding standard spectrogram, it indicates that the two are completely matched, that is, the standard pesticide residue (compound) corresponding to the current standard spectrogram is contained in the current sample to be detected.
However, this is quite rare in the actual detection process, as mentioned above, the standard spectrum of the pesticide residue (compound) sample is the standard spectrum after standardization, but the sample mass spectrum of the sample to be detected has various changes, including detection time period, upper and lower detection limit values, proportional transformation, affine transformation, etc., and various noises.
For this purpose, the invention proposes the concept of "characteristic lines".
Specifically, the data extraction unit is configured to extract a length of a first characteristic spectral line in the mass spectrogram data, where the first characteristic spectral line is a spectral line with a longest length in the mass spectrogram of the sample to be detected and another spectral line that is greater than a first set threshold;
correspondingly, a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms are stored in the cloud standard mass spectrum database in advance;
the second characteristic spectral line is the spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold.
At this time, the standard mass spectrum database stores spectrograms Spe of each standard substance i Maximum spectrum ofLine amplitude value MaxSpe i The shortest spectral line amplitude value MinSpe greater than a second set threshold value i And longest line-shortest line difference MaxSpe i -MinSpe i ；
Therefore, the specific implementation principle of the invention can be summarized as follows:
the mass spectrogram of the sample to be detected is Spe o Mass spectrum Spe of the sample o The longest amplitude value of the mid-spectral line is MaxSpe o The shortest (length) amplitude value of the spectral line length greater than the first set threshold is MinSpe o ；
The standard mass spectrum query unit obtains a plurality of standard mass spectra in the cloud standard mass spectrum database through the query of the first characteristic spectral line length, and specifically includes:
if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as the standard mass spectrogram obtained by query of the standard mass spectrogram query unit, namely Res corresponding to the current standard mass spectrogram i As a potential pesticide residue class of the sample to be detected.
In particular, when the mass spectrum Spe of a sample o With each standard spectrum Spe i When one of the following conditions is satisfied, res is set i As potential pesticide residue classes for the sample to be tested:
(1)
(2)
(3)
(4)
wherein, Δ H i (i＝1,2,3) Greater than 0 and less than 0.2, and Delta H is a preset disturbance quantity, wherein 0 < Delta H < 0.05.
Obviously, the preset condition is that the second amplitude value of each spectral line in the sample mass spectrogram is not directly compared with the first amplitude value of each spectral line in the corresponding standard mass spectrogram, but various changes of ratio, proportion, difference and square are performed, so that the influences of noise, affine change and the like are avoided, and the matching result is still not influenced when some affine transformation or rotation transformation occurs in the actual sample mass spectrogram.
It can be understood that when one of the preset conditions is satisfied, it can be determined that the sample to be detected currently has a high possibility of containing pesticide residue Res i ；
At this time, the possible types of the pesticide residues in the sample are basically determined, but the specific values thereof cannot be determined.
And then, the model loading unit loads a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifies the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
Since the pesticide residue type is known, a quantitative analysis model corresponding to the pesticide residue type can be adopted, which belongs to the prior art, and the quantitative analysis model is not developed in the embodiment, and the improvement of the embodiment is not carried out.
For example, the following documents describe various quantitative analysis methods that can be used when the type of agricultural residue to be detected is known, and the systems or models used in these quantitative analysis methods can be used as the quantitative analysis models in the present embodiment.
[1] Huangjian, xue run Ping, wei jin Ping, zhan Qian, xie Zheng Ming, zheng.
In an implementation, the first set threshold is dynamically set within a preset range by the threshold adjustment unit.
In the initial case of the operation of the apparatus,
in subsequent implementation, the standard mass spectrogram query unit queries to obtain a first number of standard mass spectrograms;
if the first number meets a second preset condition, the threshold value adjusting unit resets the first set threshold value within a preset range.
Specifically, if the first number is lower than a set number, the first set threshold is decreased, otherwise, the first set threshold is increased.
Preferably, the set number is greater than 3, more specifically, 5 or 10.
Obviously, the improvement of the above preferred embodiment can further consider all possible missing situations, and expand the matching range as much as possible, which is determined by the safety of the food itself and is closely related to the detection object (pesticide residue) of the present application.
On the basis of fig. 1-3, see fig. 4-5.
FIG. 4 shows a schematic body flow diagram of a method of portable mass spectrometry in accordance with one embodiment of the present invention;
in fig. 4, the method includes the loop execution steps of steps S710-S760, and each step is specifically executed as follows:
s710: acquiring mass spectrogram data of a sample to be detected;
s720: extracting a first characteristic spectral line length in the mass spectrogram data; the first characteristic spectral line is a spectral line with the longest length in a mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
s730: querying the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a first number of standard mass spectrograms;
and S740: judging whether the first quantity meets a second preset condition, and if so, entering a step S750;
otherwise, adjusting the first set threshold value, and returning to the step S720;
s750: determining potential pesticide residue categories contained in the sample to be detected based on the first number of standard mass spectrograms;
s760: and loading a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifying the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
The cloud standard mass spectrum database is stored with a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms in advance;
the second characteristic spectral line is a spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold;
the step S730 specifically includes: and if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as one of the first number of standard mass spectrograms.
Specifically, in contrast to the foregoing embodiments of fig. 1-3, the steps are specifically implemented as follows:
s710: acquiring mass spectrogram data of a sample to be detected;
preferably, the mass spectrum comprises a plurality; setting mass spectrogram data Spe of the sample to be detected o ；
S720: extracting a first characteristic spectral line length in each mass spectrogram data; the first characteristic spectral line is a spectral line with the longest length in a mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
specifically, the mass spectrum of the sample to be detected is obtained as Spe o Mass spectrum Spe of the sample o The longest amplitude value of the mid-spectrum line is MaxSpe o The shortest (length) amplitude value of the spectral line length greater than the first set threshold is MinSpe o ；
S730: querying the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a first number of standard mass spectrograms;
the cloud standard mass spectrum database stores each standard substance spectrogram Spe i Maximum spectral line amplitude value MaxSpe i And the shortest spectral line amplitude value MinSpe greater than a second set threshold i And longest line-shortest line difference MaxSpe i -MinSpe i ；
S740: judging whether the first quantity meets a second preset condition, and if so, entering a step S750;
otherwise, adjusting the first set threshold value, and returning to the step S720;
specifically, if the first number is lower than a set number, the first set threshold is decreased, otherwise, the first set threshold is increased.
Preferably, the set number is greater than 3, more specifically, 5 or 10.
S750: determining potential pesticide residue categories contained in the sample to be detected based on the first number of standard mass spectrograms;
in particular, the method comprises the following steps of,
mass spectrum Spe of sample o And a standard product spectrogram Spe i When one of the following conditions is satisfied, res is set i As potential pesticide residue classes for the sample to be tested:
(1)
(2)
(3)
(4)
wherein, Δ H i (i =1,2, 3) is greater than 0 and less than 0.2, Δ H is a preset disturbance amount, 0 < Δ H < 0.05.
It can be seen that the above conditions are subjected to various changes of ratio, proportion, difference and square, so that the influences of noise, affine change and the like are avoided, the actual sample mass spectrogram still does not influence the matching result when some affine transformation or rotation transformation occurs, and certain tolerance and disturbance resistance exist.
S760: and loading a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifying the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
The method steps illustrated in fig. 4 may be implemented by automated programming of the electronic device in the form of computer program instructions, and thus, referring to fig. 5, fig. 5 is a schematic diagram of a portable terminal and a storage medium for implementing one of the portable mass spectrometry methods illustrated in fig. 4.
Fig. 5 shows a schematic block diagram of an example terminal device that may be used to implement the method described in fig. 4. Terminal devices are intended to represent various forms of digital computers, such as laptops, desktops, workstations, personal digital assistants, servers, blade servers, mainframes, and other appropriate computers. The electronic device may also represent various forms of mobile devices, such as personal digital processing, cellular phones, smart phones, wearable devices, and other similar computing devices.
Specifically, fig. 5 may be a portable terminal comprising a memory and a processor, wherein the memory stores computer program instructions, and the processor executes the program instructions to implement all the steps of the portable mass spectrometry method of fig. 4.
According to the technical scheme, before pesticide residue detection is executed, the specific type of pesticide residue to be detected does not need to be preset, and the pesticide residue identification model to be loaded is determined to execute quantitative analysis after the potential pesticide residue range of the sample to be detected is determined based on the sample mass spectrogram and the standard mass spectrum database, so that the defect that only targeted analysis can be realized in the prior art is overcome; meanwhile, the method for determining the potential pesticide residue range adopts the modes of matching such as spectral line amplitude value ratio (difference, square) and the like, so that the matching result is still not influenced when some affine transformation or rotation transformation occurs in a mass spectrogram.
Finally, it should be noted that: the above embodiments are only for illustrating the technical solutions of the present invention and not for limiting the same, and although the present invention is described in detail with reference to the above embodiments, those of ordinary skill in the art should understand that: modifications and equivalents may be made to the embodiments of the invention without departing from the spirit and scope of the invention, which is to be covered by the claims.
The present invention is not limited to the specific module structure described in the prior art. The prior art mentioned in the background section can be used as part of the invention to understand the meaning of some technical features or parameters. The scope of the present invention is defined by the claims.
Claims (10)
1. A portable mass spectrum analyzer comprises a mass spectrum acquisition unit, a standard mass spectrum query unit, a data extraction unit, a threshold adjustment unit and a model loading unit; the method is characterized in that:
the mass spectrogram acquisition unit is used for acquiring mass spectrogram data of a sample to be detected;
the data extraction unit is used for extracting the length of a first characteristic spectral line in the mass spectrogram data, wherein the first characteristic spectral line is the spectral line with the longest length in the mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold value;
the first set threshold is dynamically set within a preset range by the threshold adjusting unit;
inputting the first characteristic spectral line length as a query parameter to the standard mass spectrogram query unit, querying by the standard mass spectrogram query unit to obtain a plurality of standard mass spectrograms, and determining potential pesticide residue categories contained in the sample to be tested based on the standard mass spectrograms;
and the model loading unit loads a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifies the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
2. The portable mass spectrometer of claim 1, wherein:
the portable mass spectrum analyzer further comprises a wireless communication unit, the standard mass spectrum query unit is communicated with a cloud standard mass spectrum database through the wireless communication unit, and the standard mass spectrum query unit queries in the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a plurality of standard mass spectra.
3. A portable mass spectrometer as defined in claim 2, wherein:
the cloud standard mass spectrum database is stored with a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms in advance;
the second characteristic spectral line is the spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold.
4. A portable mass spectrometer as defined in claim 3, wherein:
the standard mass spectrum query unit obtains a plurality of standard mass spectra in the cloud standard mass spectrum database through the query of the first characteristic spectral line length, and specifically includes:
and if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as the standard mass spectrogram obtained by the query of the standard mass spectrogram query unit.
5. The portable mass spectrometer of claim 1, wherein:
the standard mass spectrogram query unit queries a first number of standard mass spectrograms;
if the first quantity meets a second preset condition, the threshold value adjusting unit resets the first set threshold value within a preset range.
6. A portable mass spectrometry method based on a portable mass spectrometer as claimed in any one of claims 1 to 5.
7. A portable mass spectrometry method is used for detecting the pesticide residue category and the pesticide residue content in a sample, and is characterized by comprising the following steps:
s710: acquiring mass spectrogram data of a sample to be detected;
s720: extracting a first characteristic spectral line length in the mass spectrogram data; the first characteristic spectral line is a spectral line with the longest length in a mass spectrogram of the sample to be detected and other spectral lines larger than a first set threshold;
s730: querying the cloud standard mass spectrum database through the first characteristic spectral line length to obtain a first number of standard mass spectra;
s740: judging whether the first quantity meets a second preset condition, if so, entering the step
S750；
Otherwise, adjusting the first set threshold, and returning to step S720;
s750: determining potential pesticide residue categories contained in the sample to be detected based on the first number of standard mass spectrograms;
s760: and loading a corresponding pesticide residue identification model based on the potential pesticide residue category, and identifying the pesticide residue content in the sample to be detected by using the pesticide residue identification model.
8. A portable mass spectrometry method according to claim 7 wherein:
the cloud standard mass spectrum database is stored with a plurality of standard mass spectrograms and second characteristic spectral line lengths corresponding to the standard mass spectrograms in advance;
the second characteristic spectral line is a spectral line with the longest length in the standard mass spectrogram and other spectral lines larger than a second set threshold;
the step S730 specifically includes: and if the second characteristic spectral line and the first characteristic spectral line of the current standard mass spectrogram meet a first preset condition, taking the current standard mass spectrogram as one of the first number of standard mass spectrograms.
9. A portable mass spectrometry method according to claim 7 wherein:
the step S750 is to determine a first number of categories of potential pesticide residues contained in the sample to be tested based on the first number of standard mass spectrograms;
the step S760 loads the corresponding pesticide residue identification model based on the potential pesticide residues of the first number of categories, and the pesticide residue identification model quantitatively identifies a specific numerical value of the potential pesticide residues of each category.
10. A portable terminal comprising a memory and a processor, the memory storing computer program instructions for execution by the processor for performing all the steps of a portable mass spectrometry method according to any one of claims 6 to 9.
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