A method and system for screening pesticide components in fertilizers by gas chromatography data
By performing peak localization and mass spectrometry extraction on gas chromatography-mass spectrometry data of pesticide components in fertilizers, combined with preliminary screening of spectral libraries and detection of isotope clusters, traceable evidence texts are generated. This solves the problems of misjudgment and systematic bias in the screening methods of gas chromatography-mass spectrometry data of pesticide components in fertilizers, and achieves reliable isotope peak confirmation and evidence output.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- SHANDONG INST FOR PROD QUALITY INSPECTION
- Filing Date
- 2026-04-21
- Publication Date
- 2026-07-17
AI Technical Summary
Existing methods for screening pesticide components in fertilizers using gas chromatography-mass spectrometry data have several drawbacks. These include the ease of misjudgment in spectral library matching due to co-elution interference, the lack of hard constraints on peak shape consistency in isotope features making it difficult to reliably confirm isotope peaks, the difficulty in directly adapting theoretical abundance ratios to batch-specific systematic biases in different methods, and the challenges of achieving traceable, automated screening and evidence output based on halogen isotope fingerprints in complex fertilizer matrices.
By performing peak localization and mass spectrometry extraction on the gas chromatography-mass spectrometry data of pesticide components in fertilizers, a set of candidate pesticides is obtained based on the spectral library for initial screening. Isotope cluster detection is performed on associated diagnostic ions and the observed abundance ratio is calculated. The expected abundance ratio is generated and calibrated based on halogen information. The isotope consistency score is calculated and candidate pesticides are retained according to the threshold. The screening results and evidence text are output.
It improves the reliability of spectral library matching under co-elution interference, ensures reliable confirmation of isotope peaks, reduces computational load and false trigger probability, provides traceable data indexes and evidence chains, and ensures the verifiability and auditability of screening results.
Smart Images
Figure CN122409934A_ABST