分析测试学报2025，Vol.44Issue(12)：2462-2469,8.DOI:10.12452/j.fxcsxb.250304144
基于UPLC-Q-TOF-MS/MS与自动解析算法的3种抗病毒药物快速筛检
Screening and Detection of Three Antiviral Drugs Based on UPLC-Q-TOF-MS/MS and Automatic Interpretation Algorithm
摘要
Abstract
This study developed a method for rapid analysis of nirmatrelvir,ritonavir and oseltamivir based on ultra-high performance liquid chromatography-quadrupole-time-of-flight tandem mass spec-trometry(UPLC-Q-TOF-MS/MS)technique.The MS/MS fragmentation mechanisms for these three antiviral drugs were studied in detail.An automatic interpretation algorithm built by machine learning enables standard-independent identification,with 100%detection rate even at 1%spiked level in se-rum.It showed sufficient recognition ability for low-abundance fragment ions.The system could effec-tively distinguish target compounds from matrix interferences.It demonstrated good specificity in the model test.Using this method,nirmatrelvir,ritonavir,and oseltamivir were successfully separated and identified in real drug samples with matching scores all above 85.This study thus provides new ideal and technical support for the quality supervision of antiviral drugs.关键词
抗病毒药物/质量监控/液质联用/裂解机理/机器学习/模型测试Key words
antiviral drugs/quality supervision/LC-MS/fragmentation mechanism/machine learning/model testing分类
化学化工引用本文复制引用
李奕晓,陈苏微,周淳,胡坪,肖雪,章弘扬..基于UPLC-Q-TOF-MS/MS与自动解析算法的3种抗病毒药物快速筛检[J].分析测试学报,2025,44(12):2462-2469,8.基金项目
中国仪器仪表学会科学仪器托举计划项目(CISTJ2024) （CISTJ2024）
国家药品监督管理局药品快速检验技术重点实验室开放课题(KF2022006) （KF2022006）
