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Topic: New NMR library now available for 2-D J-resolved spectra.... (Read 8098 times) previous topic - next topic

New NMR library now available for 2-D J-resolved spectra....

A new, free resource is available at http://www.bml-nmr.org/

Its the Birmingham Metabolite Library of NMR Spectra, a collection of 3328 experimental 1D and 2D J-resolved NMR spectra of 208 metabolite standards. This resource has been established by the metabolomics researchers at the University of Birmingham, UK, and was funded by the UK BBSRC.

The 2-D J-resolved spectra will soon be made available through other international databases, such as the BMRB and the HMDB.

Mark

New NMR library now available for 2-D J-resolved spectra....

Reply #1 –
This is great!

I remember seeing your poster at the Metabolomics conference in Amsterdam 2010 and being quite excited about it. I\'ve got hundreds of J-resolved spectra from several profiling projects.

The website you link, though, behaves a bit odd. Using the browser Opera and searching for e.g. \"Alanine\" with the standard settings (2D, excitation sculpting, pH 7.0 and all angles and delays) returns two results and I can view the experiments behind those. In Internet Explorer 8, however, clicking on \"View Experiment\" only flashes up the \"busy\" image for a split second and then nothing happens. IE also complains about some scripting error on the page: \"form.js.jsf: \'elements\' is null or not an object. Line: 10, Char: 45\".

Also, on a completely different level - is it possible to do a reverse search, i.e. entering some chemical shifts and splittings and getting a list of plausible suggestions? This would be extremely helpful in terms of identifying unknown signals in my spectra.

Thank you very much!
Daniel