The National Centre for Plant and Microbial Metabolomics





 Rothamsted Research is one if eight institutes sponsored by the biotechnology and biological sciences research council












Current Activities


NMR Spectral Database

The NMR database allows spectra to be viewed in both a standard and an SVG format allowing the user to zoom in on peaks. Peak picking is present as is the ability to print the spectrum.



The ability to create this resource relies on us being able to run the standards through our system. Whilst we can buy many of these, there are many natural products which we do not have. If you are interested in allowing us to “borrow” small quantities of any natural products you may hold in your lab, we would be very interested in hearing from you. We are able to return the samples to you as the method is non-destructive. if you think you can help please E-mail the Centre Manager




The Centre is developing a new NMR database of natural compounds. The need for a spectral database of standards is high to aid in the assignment and characterisation of spectral peaks in NMR datasets collected for use by metabolomics projects.


The spectral database also contains chemical structures and physical information of each metabolite.


We are currently populating the database with 1H NMR spectra run at both 400 and 600MHz in varying solvents.


The database will be made available as soon as we feel that it contains a representative selection of metabolites and their spectra.