3B-O1-1010 PDF
Isotopic Fine Structureを利用した代謝物組成決定法
For metabolite identification, libraries or database search strategies using the exact MS and MS/MS pattern of mass spectra of known and available compounds are well-established chemical annotations with MS. However, there are still a tremendous number of unknown metabolites other than commercially available compounds. Therefore, reference-free MS-based metabolite identification is a key requirement in metabolomic studies. We previously demonstrated quantitative relative isotopic area (RIA) measurement of an authentic compound by ultra-high resolution FT-ICR-MS that enabled reference-free determination of elemental composition of metabolites. In the present study, we evaluated the potential effectiveness of the RIA as a constraint for determining elemental composition in metabolomic research. Some challenges regarding further use of the approach are also discussed.