High-coverage analysis method for carboxylic compounds in baijiu
By using 3-bromoquinoline propane as a derivatization reagent and a structure-directed molecular network strategy, the problems of high false positive rate and low detection efficiency in the detection of carboxylic acid compounds in baijiu were solved, and high coverage and high reliability of carboxylic acid compound determination were achieved.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- GUIZHOU MOUTAI WINERY GRP XIJIU CO LTD
- Filing Date
- 2026-04-27
- Publication Date
- 2026-06-12
AI Technical Summary
Existing technologies for detecting carboxylic acid compounds in baijiu suffer from high false positive rates and low detection efficiency, especially when using liquid chromatography-tandem mass spectrometry, where the derivatization process is complex and lacks systematic support for mass spectrometry fragmentation patterns.
Using 3-bromoquinoline propane as a derivatization reagent, and combining a structure-guided molecular network strategy and a spectral similarity filtering method, a high-coverage analytical method for carboxylic acid compounds in baijiu was constructed. By building a database, derivatizing standard samples, using a quantitative structure retention correlation model and a spectral similarity network, the identification throughput was improved and the false positive rate was reduced.
It achieves high coverage and high reliability in the determination of carboxylic acid compounds in baijiu, significantly improving detection efficiency and effectively reducing false positive rate. The operation process is simplified through chemical isotope labeling and structural similarity screening.
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Figure CN122193464A_ABST