Dear All, welcome to this new inteerst group focused on discussing the advances and current pitfalls in annotating and identifying metabolites in metabolomic studies.
To all a question - how important is it to integrate MS and NMR data in metabolite annotationa nd identification?
Rick Dunn
For those who are really serious about metabolite identification, in particular extending into de novo identification of metabolites, NMR is essential. With relatively new low volume cryoprobes the sensitivity disadvantage of NMR is nowhere near as bad as most people think. I foresee NMR re-entering our field, not so much for routine fingerprinting, but specifically for met ID.
As i am working on Mass spectrometry based metabolomics i can suggest that in case of MS based metabolomics comibned with chromatographic approaches (like GC-MS and LC-MS ), targeted ion approach is good as it is specific with respective metabolite and with good reproduciblity.
Ratnasekhar Ch
India
Dear all,
Can any one give suggestion to solve my problem
I have analyzed Drosophila melanogester polar extract using GC-MS after methoxyamine hydrochloride derivatization and TMS protection. Due to high abundance of disaccharide peak intensities, i am unable to solve their mass spectra with the help of NIST and willy libraries. I have also analysed 4 standards of disaccharides. But the sample peak Rt were not matching with the standard Rt. I am using Thermo Quantum XLS triple quadrapole mass spectrometer. Can anay one suggest to identify disaccharides.
Ratnasekhar Ch
Rsearch srudent
CSIR-IITR
India