NMR as a tool for compound identification in mixtures.

Ricardo Moreira BorgesGabriela de Assis FerreiraMariana Martins CamposAndrew Magno TeixeiraFernanda das Neves Costa Fernanda Oliveira Chagas Maxwell Colonna

Published in: Phytochemical analysis : PCA (2023)

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.

Keyphrases

magnetic resonance
high resolution
solid state
multiple sclerosis
mass spectrometry
ionic liquid
deep learning
big data
machine learning
data analysis