To objectively classify and evaluate the strong aroma base liquors(SABLs)of different grades,solid-phase microextraction-mass spectrometry(SPME-MS)combined with chemometrics were used.Results showed that SPME-MS combi...To objectively classify and evaluate the strong aroma base liquors(SABLs)of different grades,solid-phase microextraction-mass spectrometry(SPME-MS)combined with chemometrics were used.Results showed that SPME-MS combined with a back-propagation artificial neural network(BPANN)method yielded almost the same recognition performance compared to linear discriminant analysis(LDA)in distinguishing different grades of SABL,with 84%recognition rate for the test set.Partial least squares(PLS),successive projection algorithm partial least squares(SPA-PLS)model,and competitive adaptive reweighed samplingpartial least squares(CARS-PLS)were established for the prediction of the four esters in the SABL.CARS-PLS model showed a greater advantage in the quantitative analysis of ethyl acetate,ethyl butyrate,ethyl caproate,and ethyl lactate.These results corroborated the hypothesis that SPME-MS combined with chemometrics can effectively achieve an accurate determination of different grades of SABL and prediction performance of esters.展开更多
目的建立顶空-固相微萃取(headspace solid-phase microextraction,HS-SPME)气相色谱串联质谱法(gas chromatography-tandem mass spectrometry,GC-MS/MS)测定饮水中包括2-异丙基-3-甲氧基吡嗪(IPMB)、2-异丁基-3-甲氧基吡嗪(IBMB)、二...目的建立顶空-固相微萃取(headspace solid-phase microextraction,HS-SPME)气相色谱串联质谱法(gas chromatography-tandem mass spectrometry,GC-MS/MS)测定饮水中包括2-异丙基-3-甲氧基吡嗪(IPMB)、2-异丁基-3-甲氧基吡嗪(IBMB)、二甲基异莰醇(2-MIB)、2,4,6-三氯苯甲醚(2,4,6-TCA)、2,3,6-三氯苯甲醚(2,3,6-TCA)、土臭素(GSM)和2,3,4-三氯苯甲醚(2,3,4-TCA)在内7种异味物质含量的检测方法。方法通过优化含盐量、萃取温度和时间、解析时间和温度、气相条件和质谱条件,实现饮水中上述7种异味物质的分析。结果7种异味物质的线性范围为0.50~100 ng/L,相关系数(R^(2))在0.9971~0.9990之间,检出限(limits of detection,LOD)和定量限(limits of quantitation,LOQ)范围分别为0.04~0.15 ng/L和0.14~0.50 ng/L,三个浓度水平(1.00、10.0和50.0 ng/L)加标平均回收率分别为85.0%~119%、103%~116%和92.3%~107%,相对标准偏差(n=6)分别为6.58%~14.1%、3.87%~9.01%和1.86%~8.98%。结论本方法操作、简便,选择性好、灵敏度高、准确度好,可用于饮水中7种异味物质的检测。展开更多
基金The study was supported by the Key Research and Development Program of Jiangsu Province(BE2020312)National Natural Science Foundation of China(31671844)+2 种基金Open Project of National Engineering Laboratory for Agri-product Quality Traceability(AQT-2019-YB7)Science Foundation for Postdoctoral in Jiangsu Province(1501100C)Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD).
文摘To objectively classify and evaluate the strong aroma base liquors(SABLs)of different grades,solid-phase microextraction-mass spectrometry(SPME-MS)combined with chemometrics were used.Results showed that SPME-MS combined with a back-propagation artificial neural network(BPANN)method yielded almost the same recognition performance compared to linear discriminant analysis(LDA)in distinguishing different grades of SABL,with 84%recognition rate for the test set.Partial least squares(PLS),successive projection algorithm partial least squares(SPA-PLS)model,and competitive adaptive reweighed samplingpartial least squares(CARS-PLS)were established for the prediction of the four esters in the SABL.CARS-PLS model showed a greater advantage in the quantitative analysis of ethyl acetate,ethyl butyrate,ethyl caproate,and ethyl lactate.These results corroborated the hypothesis that SPME-MS combined with chemometrics can effectively achieve an accurate determination of different grades of SABL and prediction performance of esters.
文摘目的建立顶空-固相微萃取(headspace solid-phase microextraction,HS-SPME)气相色谱串联质谱法(gas chromatography-tandem mass spectrometry,GC-MS/MS)测定饮水中包括2-异丙基-3-甲氧基吡嗪(IPMB)、2-异丁基-3-甲氧基吡嗪(IBMB)、二甲基异莰醇(2-MIB)、2,4,6-三氯苯甲醚(2,4,6-TCA)、2,3,6-三氯苯甲醚(2,3,6-TCA)、土臭素(GSM)和2,3,4-三氯苯甲醚(2,3,4-TCA)在内7种异味物质含量的检测方法。方法通过优化含盐量、萃取温度和时间、解析时间和温度、气相条件和质谱条件,实现饮水中上述7种异味物质的分析。结果7种异味物质的线性范围为0.50~100 ng/L,相关系数(R^(2))在0.9971~0.9990之间,检出限(limits of detection,LOD)和定量限(limits of quantitation,LOQ)范围分别为0.04~0.15 ng/L和0.14~0.50 ng/L,三个浓度水平(1.00、10.0和50.0 ng/L)加标平均回收率分别为85.0%~119%、103%~116%和92.3%~107%,相对标准偏差(n=6)分别为6.58%~14.1%、3.87%~9.01%和1.86%~8.98%。结论本方法操作、简便,选择性好、灵敏度高、准确度好,可用于饮水中7种异味物质的检测。
