色谱2017，Vol.35Issue(1)：8-13,6.DOI:10.3724/SP.J.1123.2016.06046
基于高通量解析算法的复杂样品重叠气相色谱-质谱信号的快速分析
Rapid analysis of complex samples using overlapping gas chromatography-mass spectrometry signals based on high-throughput approach
摘要
Abstract
Chemometric methods have been proved to be a powerful tool for the resolution of overlapping signals. However, a short elution region containing the signals of the target compo⁃nents must be determined prior to the calculation. It is difficult to achieve the high⁃throughput analysis for the gas chromatography⁃mass spectrometry ( GC⁃MS ) signals with long elution time. An approach based on moving window target transformation factor analysis ( MWTTFA) and non⁃negative immune algorithm ( NNIA ) was developed for the resolution of multicompo⁃nent overlapping GC⁃MS signals. In the method, a rapid temperature program was used to make the analytes within a short retention time period, and then the chromatographic and mass spec⁃tral information of the components in the overlapping signals was calculated with the developed algorithm. In the calculation, MWTTFA was employed for testing the existence of a specific analyte in the signals, and the chromatographic information was extracted by NNIA. A mixture of 17 and 42 pesticide standard solutions were tested in full⁃scan mode within 10 min. The results showed that both the chromatographic and the mass spectra information of the compo⁃nents was extracted from the overlapping signals.关键词
气相色谱-质谱/移动窗口目标转换因子分析/非负免疫算法/重叠峰解析/农药混合标准品Key words
gas chromatography-mass spectrometry ( GC-MS )/moving window target trans-formation factor analysis ( MWTTFA)/non-negative immune algorithm ( NNIA)/resolution of overlapping peaks/pesticide mixed standard samples分类
化学化工引用本文复制引用
李跑,蔡文生,邵学广..基于高通量解析算法的复杂样品重叠气相色谱-质谱信号的快速分析[J].色谱,2017,35(1):8-13,6.基金项目
国家自然科学基金项目（21175074，21475068）．@@@@National Natural Science Foundation of China （ Nos．21175074，21475068）． （）
