NONE- as far as my knowledge is concerned.

I don't know about quantification, but Metabominer (free) can be used with 2D TOCSY or HSQC data. Unfortunately there is no free software to identify metabolites from 1D NMR. There are paid software for 1D data from Bruker.

Your best bet is to use online databases like BMRB and HMDB, which can query peak lists.

Mr. Ashrafi,

By ACDLab (http://www.acdlabs.com/).

Thanks all

Thank you

Hello,

BAYESIL might address some issues- f you are looking for something quick and web-based: http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0124219

Here: http://bayesil.ca/ esp. when you follow their protocols to generate data.

Another one is here:https://hal.archives-ouvertes.fr/hal-01535613/

Some other can be found in 2 of our recent reviews on NMR-based tools:

Updates in metabolomics tools and resources:

2014–2015: http://onlinelibrary.wiley.com/doi/10.1002/elps.201500417/full

Review of emerging metabolomic tools and resources: 2015–2016:

http://onlinelibrary.wiley.com/doi/10.1002/elps.201700110/full

Thanks,

Biswa

Hi,

You can find here a software using NMR data to find different possible structures: http://eos.univ-reims.fr/LSD/index_ENG.html

It's developed by the very genius Dr. J-M Nuzillard.

Lila

Thank you Lila

Dear Biswa,

Thank you for recommended articles.

Best regards,