核磁共振波谱分析-15研讨.ppt

下载文档 降价啦

4
0
约4.5千字
约 37页
2016-08-06 发布于湖北
举报
版权申诉
保障服务

核磁共振波谱分析-15研讨.ppt

1、本文档共37页，可阅读全部内容。
2、原创力文档（book118）网站文档一经付费（服务费），不意味着购买了该文档的版权，仅供个人/单位学习、研究之用，不得用于商业用途，未经授权，严禁复制、发行、汇编、翻译或者网络传播等，侵权必究。
3、本站所有内容均由合作方或网友上传，本站不对文档的完整性、权威性及其观点立场正确性做任何保证或承诺！文档内容仅供研究参考，付费前请自行鉴别。如您付费，意味着您自己接受本站规则且自行承担风险，本站不退款、不进行额外附加服务；查看《如何避免下载的几个坑》。如果您已付费下载过本站文档，您可以点击这里二次下载。
4、如文档侵犯商业秘密、侵犯著作权、侵犯人身权等，请点击“版权申诉”（推荐），也可以打举报电话：400-050-0827(电话支持时间：9:00-18:30)。

核磁共振波谱分析-15研讨

Strategies of NMR Resonance Assignmentfor Biofluid Samples生物体液的核磁共振谱峰归属 1H NMR spectrum of Taxol Public NMR Database of Biological samples-1 HMDB (Human Metabolome Database) www.hmdb.ca Version 3.5 Chemical, Clinical, Molecular biology/biochemistry data 40,444 metabolites 1D (1H and 13C) 2D (COSY, TOCSY and HSQC) NMR data MMCD (Madison Metabolomics Consortium Database) Chemical, physical, clinical, molecular biology/biochemistry data 20,306 metabolites 1D (1H and 13C) 2D (COSY, TOCSY, HMBC and HSQC) NMR data BMRB (Biological Magnetic Resonance Bank) Chemical and physical data, NMR pulse sequences Peptides, protein and nucleic acid Chemical shift, J-couplings, relaxation rates, hydrogen exchange rates and pKa values Metabolomics database Approximate proton chemical shifts 2D J-Revolved Spectroscopy COSY TOCSY 2D Heteronuclear Correlated NMR Spectroscopy HMBC HSQC 0.99ppm 1.04ppm 19.5ppm 20.8ppm 31.9ppm 63.3ppm CH3 CH3 CH C H ? ? 2.27ppm 3.62ppm 177ppm 177ppm RCH3： 0-40ppm RCH2： 10-50ppm RCH： 15-50ppm C O O 160-185ppm COO NH3+ Valine TOCSY COSY 7.55ppm 7.63ppm 7.83ppm R R1 R2 R3 R1 R2 ? J-Resolved 7.55ppm 7.63ppm 7.83ppm m m m ? 7.63ppm 7.83ppm 7.55ppm 173.1ppm 130.1ppm 135.3ppm 131.5ppm 3.98ppm 46.3ppm 173.1ppm 179.3ppm HMBC HSQC * * * * 900 MHz 1H 1D NMR Spectrum of Human Urine C47H51NO14 Public NMR Database of Biological samples-2 Public NMR Database of Biological samples-3 Personal NMR Database of Biological samples 3.7-5.0 ppm Alpha H to ether 3.1-4.4 ppm Alpha H to halogen 2.1-2.6ppm Alpha H to Carbonyl 0.7-1.7ppm Alkane CH 2.1-3.0 ppm Alpha H to amino nitrogen 2.3-2.7ppm Alpha H to Benzylic 6.5-8.0 ppm Aromatic H 9.0-10.0 ppm Aldehyde H 5.0-9.0 ppm Amide H 3.55-4.0 ppm Alpha H to amino acid 3.3-4.0 ppm Alpha H to oxygen From sample to structure 1D 1H spectrum 2D 1H-1H JRES 2D 1H-1H COSY 2D 1H-1H TOCSY 2D 1H-13C HSQC (HMQC) 2D 1H-13C HMBC 2D 1H-1H NOESY ? ? Noesypr1D CPMG Diffusion Weight 1D 1H NMR method Separate the s