Objective:To identify compounds and analyze the effect of producing area,procedure and ingredient on the components of SHEN QU.Method:1 H-NMR,13 C-NMR,HMBC,1H-1 H COSY and TOCOSY were employed to identify the compounds from SHEN QU,multivariate analysis was applied to find the difference among 36 batch SHEN QU got from different county.Result:In this study,succinic acid(1),lactic acid(2),glyceric acid(3),methoxyacetic acid(4),methoxy acetic acid ammonium(5),fatty acid(6),glycerin(7),long chain olefins(8),α-D-fructose(9),α-D-glucose(10)andβ-D-glucose(11)were elucidated in SHEN QU on the basis of NMR technology,compounds 1-9 were identified for the first time in it.1 H-NMR analysis showed that the chemical component in stock material almost not be detected in end product of SHEN QU,while many new signals of saccharides,fatty acids and long chain alkenos were detected.The result of PLS-DA analysis of 36 batch sample indicated that chemical components of SHEN QU from different region are similar.Conclusion:The fermentation process of SHEN QU is more important factor affecting the chemical components than procedure,producing region and ingredients.%目的:鉴定神曲中的主要化学成分,分析产地、工艺和原料对神曲主要成分的影响.方法:采用HM-BC、1H-1H COSY、TOCOSY等多种核磁共振技术(NMR)鉴定神曲中主要成分,利用多元统计分析36批神曲的主要成分差异.结果:从神曲中鉴定出琥珀酸(1)、乳酸(2)、甘油酸(3)、甲氧基乙酸(4)、甲氧基乙酸铵(5)、脂肪酸(6)、甘油(7)、长链烯烃(8)、α-D-果糖(9)、α-D-葡萄糖(10)和β-D-葡萄糖(11)等成分,其中化合物1～9为从神曲中首次鉴定的成分.本研究还发现原料的成分几乎不以原形进入成品,而可能作为底物或调解微生物发酵环境的附加因子参与形成成品的成分,不同产地神曲的化学成分无显著区别.结论:神曲的化学成分主要由发酵过程形成的,产地、工艺和原料对其终产物成分种类影响较小,发酵过程是其主要影响因素.
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