Application of 2D-NMR spectroscopy to metabolomics and ... - CSC

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$IMSL MATH/LIBRARY Volume 2$

COSY, TOCSY, HSQC, HMBC• 1 H-NMR :basic identification, fingerprinting,further statistical analysis• 13 C-NMR :second identification for quaternary carbon(e. g. carbonyl group)• COSY, TOCSY :elucidation of carbohydrates and organicacids, amino acids• HSQC :confirmation of 1 H-NMR elucidation,further statistical analysis for complex plantextract• HMBC :confirmation of 1 H-NMR elucidation,elucidation of glycosides• NOESY :spatial correlation(stereo chemistry of metabolites)
1H-NMR: all information thereinNMR always wants to give a lot of information for compounds! But it’s up to you?
Page 1 and 2: Application of 2D-NMR spectroscopyt
Page 3 and 4: How can we elucidate the selected m
Page 5 and 6: Example : Identification of Differe
Page 7: Two dimensional (2D)-NMR• 1D-NMR
Page 11 and 12: 1H-NMR for the Mixture of Tobacco2'
Page 13 and 14: Carbohydrates, Amino acids, Terpene
Page 15 and 16: Methyl of Terpenes (δ 0.5 - δ 2.0
Page 17 and 18: 1H-NMR spectrum of glucoseβ−Η1
Page 19 and 20: Differentiation of DiasteromersR 1
Page 21 and 22: Second approachUsing J-resolved for
Page 23 and 24: 1H-NMR spectrum of ursolic acidMeth
Page 25 and 26: 2D J-Resolved :terpenoidHO18OH64161
Page 27 and 28: Total Correlated Spectroscopy (TOCS
Page 29 and 30: TOCSYMixing time is important : low
Page 31 and 32: HMBC: a wealth of information
Page 33 and 34: Application of HSQC-TOCSY to metabo
Page 35 and 36: Application of SPE for flavonoids i
Page 37 and 38: From a ‘Metabolomids’ to a real

Application of 2D-NMR spectroscopy to metabolomics and ... - CSC

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