1D-O1-1445 PDF
Mass Spectral Database in the Future
This talk introduces two topics: spectra databases and software tools for structure identification based on fragmentation. For spectra databases, curation and quality assessment is indispensable. To create a reference database more efficiently, we introduce ideal ways of cooperation among researchers including data standards and exchange. The other topic is software tools for metabolite identification from fragmentation. Many tools are available online but their (dis)advantages are usually not well known. We explain their differences and introduce how to best use the available internet resources.