NMR as a tool for compound identification in mixtures.
Phytochem Anal
; 34(4): 385-392, 2023 Jun.
Article
em En
| MEDLINE
| ID: mdl-37128872
ABSTRACT
INTRODUCTION:
Natural products and metabolomics are intrinsically linked through efforts to analyze complex mixtures for compound annotation. Although most studies that aim for compound identification in mixtures use MS as the main analysis technique, NMR has complementary advances that are worth exploring for enhanced structural confidence.OBJECTIVE:
This review aimed to showcase a portfolio of the main tools available for compound identification using NMR. MATERIALS ANDMETHODS:
COLMAR, SMART-NMR, MADByTE, and NMRfilter are presented using examples collected from real samples from the perspective of a natural product chemist. Data are also made available through Zenodo so that readers can test each case presented here.CONCLUSION:
The acquisition of 1 H NMR, HSQC, TOCSY, HSQC-TOCSY, and HMBC data for all samples and fractions from a natural products study is strongly suggested. The same is valid for MS analysis to create a bridged analysis between both techniques in a complementary manner. The use of NOAH supersequences has also been suggested and demonstrated to save NMR time.Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Produtos Biológicos
/
Metabolômica
Idioma:
En
Ano de publicação:
2023
Tipo de documento:
Article