可食用香料产品质量一致性评价能够保证食品风味一致性。本文基于傅里叶变换离子回旋共振质谱(Fourier Transform Ion Cyclotron Resonance Mass Spectrometry,FT-ICR-MS)结合不添加内标物的手动进样策略建立了一种快速分析香料质量的方...可食用香料产品质量一致性评价能够保证食品风味一致性。本文基于傅里叶变换离子回旋共振质谱(Fourier Transform Ion Cyclotron Resonance Mass Spectrometry,FT-ICR-MS)结合不添加内标物的手动进样策略建立了一种快速分析香料质量的方法,采用降噪、插值与归一化预处理质谱数据,相关系数法筛选样品重复测试中的异常值,主成分分析法评价插值后数据的质量,以验证压缩数据是否具有可行性。结果表明,正离子模式下香料A和香料B的未稀释样品分别被划分到甲醇体积分数0%~2%与0%~3%范围内,实际生产中可将此范围内的样品认定为质量合格。负离子模式样品响应低,优先考虑正离子模式评价可食用香料。展开更多
The present article covers a simple approach to detect and subsequently identify in vivo metabolites of brodimoprim, using high performance liquid chromatography coupled to ion trap mass spectrometer（LC/ESI-MS）, whi...The present article covers a simple approach to detect and subsequently identify in vivo metabolites of brodimoprim, using high performance liquid chromatography coupled to ion trap mass spectrometer（LC/ESI-MS）, which is based on a data-dependent acquisition of isotope ions and result verified by full scan mass spectrum. The distinguished advantage of data-dependent scan is rapidness because it requires minimum sample preparation, and all the necessary data can be obtained in one chromatographic run. In addition, it is highly sensitive and selective, allowing detection of trace metabolites even in the presence of complex biomatrix. As a result, four phase-Ⅰ（M1--M4） and four Phase-Ⅱ（M5--M8） metabolites of brodimoprim were identified in urine after the oral administration of hrodimoprim to Wistar rats. Their chemical structures were proposed based on the interpretation of their CID fragmentation characterizations and the metabolic pathway was exhibited in this article.展开更多
文摘可食用香料产品质量一致性评价能够保证食品风味一致性。本文基于傅里叶变换离子回旋共振质谱(Fourier Transform Ion Cyclotron Resonance Mass Spectrometry,FT-ICR-MS)结合不添加内标物的手动进样策略建立了一种快速分析香料质量的方法,采用降噪、插值与归一化预处理质谱数据,相关系数法筛选样品重复测试中的异常值,主成分分析法评价插值后数据的质量,以验证压缩数据是否具有可行性。结果表明,正离子模式下香料A和香料B的未稀释样品分别被划分到甲醇体积分数0%~2%与0%~3%范围内,实际生产中可将此范围内的样品认定为质量合格。负离子模式样品响应低,优先考虑正离子模式评价可食用香料。
基金the National Natural Science Foundation of China(Nos.30630075 and 20675056)Natural Science Founda-tion of Tianjin City,China(No.07JCYBJC01600)
文摘The present article covers a simple approach to detect and subsequently identify in vivo metabolites of brodimoprim, using high performance liquid chromatography coupled to ion trap mass spectrometer（LC/ESI-MS）, which is based on a data-dependent acquisition of isotope ions and result verified by full scan mass spectrum. The distinguished advantage of data-dependent scan is rapidness because it requires minimum sample preparation, and all the necessary data can be obtained in one chromatographic run. In addition, it is highly sensitive and selective, allowing detection of trace metabolites even in the presence of complex biomatrix. As a result, four phase-Ⅰ（M1--M4） and four Phase-Ⅱ（M5--M8） metabolites of brodimoprim were identified in urine after the oral administration of hrodimoprim to Wistar rats. Their chemical structures were proposed based on the interpretation of their CID fragmentation characterizations and the metabolic pathway was exhibited in this article.
