Hi Archana.

For you to know the concentration of its metabolites in Chenomix it is necessary to first hit the baseline of the spectrum and then overlap its NMR profile on the profile of each metabolite. The metabolite profile of the software is based on the measurement of known concentration standards. Thus, the program calculates the concentration for you based on these standards. You can choose whether you want the concentration in nMol or ng / ml, for example.

Hi Archana Sarangi,

There is a number of quantification procedures for 1H NMR metabolomics data. There are few main categories of this methods:

1) Integration of the signal. Any software for NMR spectra processing allows to do it. Alternatively simple MATLAB script will work just fine.

2) Fitting the NMR signal using some deconvolution algorythm.

            - For manual peakfitting (e.g. ACD/Lab NMR processor) http://www.acdlabs.com/resources/freeware/nmr_proc/

            - For automatic global spectral deconvolution (GSD) (e.g. Mnova NMR) http://mestrelab.com/software/mnova/nmr/

            - If you are familiar with R project BATMAN is worth consideration for automatic fitting of all metabolites simultaneously http://batman.r-forge.r-project.org/

3) Fitting preexisting spectral library to the metabolic profile.

            - AMIX (by Bruker)

            - ChenomX that was already mentioned few times.

Before choosing one you should consider what is the main goal of the quantification. If it is the relative comparison between groups than probably you can just use simple integration of the resonance without overlap. If you want to report actual concentrations, than more sophisticated methods are required. Keep in mind that when using ChenomX, the spectra needs to be acquired using particular parameters and NOESY1D pulse sequence. Otherwise obtained concentrations might not be accurate: (http://www.chenomx.com/news/img/page23/ChenomxAppNote.an014.pdf)