Analysis of human urine metabolites using SPE and NMR spectroscopy  

作　　者：YANG WeiJin WANG YaWei ZHOU QunFang TANG HuiRu 

机构地区：[1]State Key Laboratory of Environmental Chemistry and Ecotoxicology,Research Center for Eco-Environmental Sciences,Chinese Academy of Sciences,Beijing 100085,China [2]State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics,Wuhan Centre for Magnetic Resonance,Wuhan Institute of Physics and Mathematics,Chinese Academy of Sciences,Wuhan 430071,China

出　　处：《Science China Chemistry》2008年第3期218-225,共8页中国科学（化学英文版）

基　　金：Supported by the Chinese Academy of Sciences (Grant No: KZCX2-YW-420-21);the National High Technology Research and Development Program of China (Grant No: 2006AA06Z424);the National Natural Science Foundation of China (Grant Nos: 40590392 and 20575074)

摘　　要：Nuclear magnetic resonance (NMR) spectroscopic analysis of metabonome/metabolome has widespread applications in biomedical science researches. However, most of NMR resonances for urinary metabolites remain to be fully assigned. In the present study, human urine samples from two healthy volunteers were pre-treated with C18 solid-phase extraction and the resultant 5 sub-fractions were subjected to one- and two-dimensional NMR studies, including 1H J-Resolved, 1H-1H COSY, 1H-1H TOCSY, 1H-13C HSQC, and HMBC 2D NMR. More than 70 low molecular weight metabolites were identified, and complete assignments of 1H and 13C resonances including many complex coupled spin systems were obtained.Nuclear magnetic resonance (NMR) spectroscopic analysis of metabonome/metabolome has wide-spread applications in biomedical science researches. However, most of NMR resonances for urinary metabolites remain to be fully assigned. In the present study, human urine samples from two healthy volunteers were pre-treated with C18 solid-phase extraction and the resultant 5 sub-fractions were subjected to one-and two-dimensional NMR studies, including 1H J-Resolved, 1H-1H COSY, 1H-1H TOCSY, 1H-13C HSQC, and HMBC 2D NMR. More than 70 low molecular weight metabolites were identified, and complete assignments of 1H and 13C resonances including many complex coupled spin systems were obtained.

关 键 词：URINE METABOLITES NMR SPECTROSCOPY SOLID phase extraction metabonomics/metabolomics 

分 类 号：R445.2[医药卫生—影像医学与核医学]