CN-122016981-A - Dynamic monitoring method, system and medium for pollution resistance of mass spectrometer

Abstract

The invention belongs to the mass spectrum technology, and particularly provides a dynamic monitoring method for anti-pollution performance of a mass spectrometer, which comprises the steps of A1, alternately sampling samples and blanks with the same concentration, collecting a mass spectrum full-scan spectrogram in real time, A2, extracting time sequence pollution characteristic indexes according to the spectrogram, wherein the indexes comprise noise floor rising rate delta N t /N 0 , A3, calculating a dynamic pollution index according to the characteristic indexes, A4, establishing a method for predicting future cleaning critical points based on sequences of the dynamic pollution indexes, A5, setting pollution boundary response thresholds, and feeding back pollution cleaning strategies. The invention has the advantages of strong pollution monitoring capability and the like.

Inventors

• WEN LUHONG
• HONG HUANHUAN
• Chen la

Assignees

• 宁波华仪宁创智能科技有限公司

Dates

Publication Date

20260512

Application Date

20251231

Claims (10)

1. 1. The method for dynamically monitoring the anti-pollution performance of the mass spectrometer is characterized by comprising the following steps of: A1. alternately sampling a sample and a blank with the same concentration, and collecting a mass spectrum full-scan spectrogram in real time; A2. Extracting time sequence pollution characteristic indexes according to the spectrogram, wherein the indexes comprise noise floor rising rate delta N t /N 0 ; A3. Calculating a dynamic pollution index according to the characteristic index; A4. Establishing a method for predicting future cleaning critical points based on a sequence of dynamic pollution indexes; A5. And setting a pollution boundary response threshold value and feeding back a pollution cleaning strategy.
2. 2. The method of monitoring according to claim 1, wherein the characteristic index further comprises: The characteristic interference peak intensity ratio I int /I ref , the target ion signal attenuation slope k is obtained by continuous 5 times of sample injection through linear fitting and the target ion intensity above; The dynamic pollution index S (t) =α· (Δn t /N 0 ) + β·(I int /I ref ) +γ·|k|, α+β+γ=1.
3. 3. The method of monitoring according to claim 1, wherein in step A3 and step A4, a joint prediction algorithm is run.
4. 4. A monitoring method according to claim 3, wherein the joint prediction algorithm comprises LSTM-ARIMA, the output sequence of the LSTM model being used as an input to the ARIMA model for predicting pollution tendencies.
5. 5. The method of claim 1 or 4, wherein the future cleaning threshold is predicted using an ARIMA algorithm, the ARIMA model order is adaptively adjustable, and the model order is automatically switched from ARIMA (1, 1) to an ARIMA (p, 2, q) model with a higher differential order when external environmental interference is detected to exceed a preset level.
6. 6. The method of any one of claims 1 to 5, wherein the method is applied to a miniaturized mass spectrometer having a weight of no more than 20kg and a vacuum cavity volume of less than 0.5m 3 .
7. 7. The method of monitoring as claimed in claim 1, wherein, The pollution boundary response threshold is a third-order adaptive value combination (0, 0.3), continuous sample injection, [0.3,0.6 ], inert gas pulse cleaning, [0.6,1], and starting solvent cleaning.
8. 8. A computer readable storage medium, on which a computer program is stored, characterized in that the program, when being executed by a processor, implements the method according to any one of claims 1 to 7.
9. 9. A miniature mass spectrometer anti-contamination dynamic monitoring system, comprising: The mass spectrum detection module is used for collecting spectrogram data; A data processing module configured to perform the method of any one of claims 1 to 7; And the cleaning execution module is configured to execute corresponding cleaning operation according to the cleaning instruction output by the data processing module.
10. 10. The system of claim 9, wherein the purge execution module comprises: the inert gas pulse cleaning unit is used for triggering when a first-stage cleaning instruction is received; and the solvent deep cleaning unit is used for triggering when a second-stage cleaning instruction is received.

Description

Dynamic monitoring method, system and medium for pollution resistance of mass spectrometer Technical Field The invention relates to a mass spectrum technology, in particular to a method, a system and a medium for dynamically monitoring anti-pollution performance of a mass spectrometer. Background The anti-pollution is a key index in the analysis performance of a mass spectrometer, directly influences the transmission efficiency of target ions, causes the problems of reduced sensitivity, increased risk of screening false anions or false positives and the like, and finally interferes with the qualitative and quantitative analysis of substance components. The pollution resistance of the mass spectrometer (especially the system combined with the direct ionization ion source) can be improved by the methods of ion source design, transmission path optimization, system maintenance strategy and the like. The mass spectrometer anti-pollution can be evaluated from the modes of stability test, maintenance period evaluation and the like, common methods include the steps of adopting a cross-pollution test, verifying the anti-cross-pollution capability by taking the loss rate of peak intensity as an evaluation index, avoiding the generation of false positive phenomenon, only evaluating pollution of an ion transmission path, adopting a matrix effect evaluation method, calculating matrix enhancement and inhibition rate by adding target object analysis, evaluating signal response difference by relative standard deviation, but relying on sample pretreatment purification effect, adopting a continuous sample injection stability test, judging instrument cleaning time and recyclable times based on background signal accumulation trend, and being long in test period and high in requirement, adopting a matrix resistance quantification method, sampling by a high-concentration organic matter sample, acquiring signal drift degree, giving sensitivity attenuation rate, and being not suitable for being used by an open type direct ionization ion source and a mass spectrometer. The above method is generally focused on the analysis of contamination resistance of conventional laboratory mass spectrometers. The miniaturized mass spectrometer is usually combined with an open type direct ionization ion source, is particularly suitable for on-site rapid detection in the fields of detoxification, food safety, battlefield defense and the like, and is used for direct ionization and sample injection analysis in an open environment with normal pressure, but is subject to low vacuum degree and small anti-pollution design space of the miniaturized mass spectrometer, so that the anti-pollution performance is very challenging, and a dynamic pollution quantitative index evaluation system for the miniaturized mass spectrometer is lacked, so that excessive maintenance or detection failure is caused. However, the above-described evaluation method is mainly directed to large laboratory mass spectrometer designs, which preset a stable laboratory environment, a sufficient maintenance window, and a high hardware redundancy. When applied to portable miniaturized mass spectrometers weighing less than 20kg and having vacuum chamber volumes less than 0.5m3, the following challenges are faced: 1. The on-site detection requires continuous sampling of multiple samples, the pollution is accumulated dynamically, and the static or long-period testing method cannot quantify the pollution state in real time, so that the maintenance time is completely dependent on the experience of an operator. 2. To accommodate miniaturization, the ion transmission path is shortened, the vacuum system is simplified, the sensitivity is improved, and the ion transmission path is more easily polluted and has lower tolerance. The existing method cannot realize dynamic optimization between ensuring detection sensitivity and executing anti-pollution cleaning. 3. In mobile or severe environments such as vehicles, fields and the like, vibration, temperature and humidity changes can introduce additional signal noise and pollution false images, and the traditional evaluation system cannot distinguish the environment interference from the real instrument pollution. Therefore, there is a need for an antipollution performance evaluation and control system designed specifically for miniaturized mass spectrometers that can dynamically monitor contamination in real time, distinguish interference, and accurately predict maintenance opportunities. Disclosure of Invention In order to solve the defects in the prior art scheme, the invention provides a dynamic monitoring method for the anti-pollution performance of a mass spectrometer. The invention aims at realizing the following technical scheme: the method for dynamically monitoring the anti-pollution performance of the mass spectrometer comprises the following steps: A1. alternately sampling a sample and a blank with the same concentration, and collecting a