I want to use NMR for plant metabolomics but I confused to select NMR method.We have NMR (450 mhz, 1H, C, cosy). according to mentioned NMR instrument, Which of these methods is more effective for my analysis?
For simply identifying metabolites use: 1H, 1H-1H COSY. 1H-1H TOCSY and 1H-13C HSQC (this is the bare minimum you should collect. Use the 2D spectra for assignments). HSQC is essential, along with either TOCSY or COSY. Any standard instrument can run these experiments.
You will have to use some kind of database matching for your assignments (Bruker Amix or ACDLabs Spectrus DB.
If you have lots of samples and want to do statistical analysis (such as PCA), just use 1H NMR. There are lots of papers on this.
I agree very much with both Rudraksha and Alessandro in using
1H, 1H-1H COSY. 1H-1H TOCSY and 1H-13C HSQC (this is the bare minimum you should collect. Use the 2D spectra for assignments). HSQC is essential, along with either TOCSY or COSY. Any standard instrument can run these experiments.
I have lots of samples and want to do statistical analysis so according to Rudraksha Dutta Majumdar recomandation it is better to I use H-NMR. I do not know how many metabolite will identify by use of our NMR. IS its power (450 MHz) sufficient for NMR based metabolomics? i hope it could identify at least 40-50 polar and non-polar metabolites.
As you decided doing H-NMR. Find in attached a paper on: 1H NMR-based metabolomic analysis of polar and non-polar earthworm metabolites after sub-lethal exposure to phenanthrene
Brian P. Lankadurai • David M. Wolfe •
Melissa L. Whitfield A ° slund • Andre´ J. Simpson •
I analyzed my NMR spectra and identified metabolites by mestreNova, but if you know software packages for identification of unknown metabolites please share their name.