采用顶空固相微萃取(headspace solid-phase microextraction,HS-SPME)和液液萃取(liquid-liquid extraction,LLE)结合全二维气相色谱飞行时间质谱(comprehensive two-dimensional gas chromatography time of flight mass spectrometry...采用顶空固相微萃取(headspace solid-phase microextraction,HS-SPME)和液液萃取(liquid-liquid extraction,LLE)结合全二维气相色谱飞行时间质谱(comprehensive two-dimensional gas chromatography time of flight mass spectrometry,GC×GC-TOF-MS)以及香气活度值(odour active value,OAV),对红星二锅头白酒的挥发性成分进行全面解析。研究发现,HS-SPME、LLE分别定性出928、802种挥发性化合物,共计定性出1304种挥发性化合物,共同定性出426种挥发性化合物。基于HS-SPME数据,通过香气数据库筛选出具有香气特征的382种香气化合物,其中酯类相对百分含量占比最高,其次是醇类、酸类和醛类。计算得到了49种香气化合物OAV>1,其中酯类(辛酸乙酯、异戊酸乙酯等)和萜烯类(β-大马酮)对白酒风味的贡献最大,醛类(异戊醛、己醛等)和含硫类(二甲基三硫)其次,醇类(1-辛烯-3-醇)和含氮类(2,3,5-三甲基吡嗪)也有一定风味贡献。该研究丰富了红星二锅头白酒的风味研究,也为下一步生产研究及调控提供了理论和数据支撑。展开更多
Rimonabant was studied by ESI ion trap mass spectrometry and EI(electron impact) time-of-flight mass spectrometry.m/z 380.9 can be used for identification of this drug by LC-MS.An exact mass at m/z 462.0782 (calculate...Rimonabant was studied by ESI ion trap mass spectrometry and EI(electron impact) time-of-flight mass spectrometry.m/z 380.9 can be used for identification of this drug by LC-MS.An exact mass at m/z 462.0782 (calculated 462.0781) with abundance (8.56%) in the spectra was found for its molecular ion.Ten characteristic fragment peaks with relatively strong intensities were observed,which can be used for identification of this drug.展开更多
N,N-dialkylaminoethane-2-sulfonic acids are environmental marker compounds of V type nerve agents,hence analysis of them is very important for verification of the chemical weapons convention(CWC).In this article,liqui...N,N-dialkylaminoethane-2-sulfonic acids are environmental marker compounds of V type nerve agents,hence analysis of them is very important for verification of the chemical weapons convention(CWC).In this article,liquid chromatography-high resolution time of flight mass spectrometry coupled with accurate mass measurement were used to discriminate N,N-disopropyl aminoethane-2-sulfonic acid and a CWC non-related compound 3-(N-Morpholino)propanesulfonic acid in Water.The method was fast,simple and accurate,proving that high resolution mass spectrometry is a good technique for the analysis of unknown toxicant.展开更多
文摘采用顶空固相微萃取(headspace solid-phase microextraction,HS-SPME)和液液萃取(liquid-liquid extraction,LLE)结合全二维气相色谱飞行时间质谱(comprehensive two-dimensional gas chromatography time of flight mass spectrometry,GC×GC-TOF-MS)以及香气活度值(odour active value,OAV),对红星二锅头白酒的挥发性成分进行全面解析。研究发现,HS-SPME、LLE分别定性出928、802种挥发性化合物,共计定性出1304种挥发性化合物,共同定性出426种挥发性化合物。基于HS-SPME数据,通过香气数据库筛选出具有香气特征的382种香气化合物,其中酯类相对百分含量占比最高,其次是醇类、酸类和醛类。计算得到了49种香气化合物OAV>1,其中酯类(辛酸乙酯、异戊酸乙酯等)和萜烯类(β-大马酮)对白酒风味的贡献最大,醛类(异戊醛、己醛等)和含硫类(二甲基三硫)其次,醇类(1-辛烯-3-醇)和含氮类(2,3,5-三甲基吡嗪)也有一定风味贡献。该研究丰富了红星二锅头白酒的风味研究,也为下一步生产研究及调控提供了理论和数据支撑。
文摘Rimonabant was studied by ESI ion trap mass spectrometry and EI(electron impact) time-of-flight mass spectrometry.m/z 380.9 can be used for identification of this drug by LC-MS.An exact mass at m/z 462.0782 (calculated 462.0781) with abundance (8.56%) in the spectra was found for its molecular ion.Ten characteristic fragment peaks with relatively strong intensities were observed,which can be used for identification of this drug.
文摘N,N-dialkylaminoethane-2-sulfonic acids are environmental marker compounds of V type nerve agents,hence analysis of them is very important for verification of the chemical weapons convention(CWC).In this article,liquid chromatography-high resolution time of flight mass spectrometry coupled with accurate mass measurement were used to discriminate N,N-disopropyl aminoethane-2-sulfonic acid and a CWC non-related compound 3-(N-Morpholino)propanesulfonic acid in Water.The method was fast,simple and accurate,proving that high resolution mass spectrometry is a good technique for the analysis of unknown toxicant.
