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
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
It would be nice if someone kindly provide me the MATLAB script for STOCSY :D
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