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MS-MS Fragment Viewer: |
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'MS-MS Fragment Viewer' is a database for metabolomics which consists of the FT-MS, IT- and FT-MS/MS spectral data with predicted structures of fragment ion observed in LC-FT/ICR-MS analysis.
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Overview: |
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For the finding of novel physiological activity or the transition to environmentally-friendly society, a vast variety of organic compound which biosynthesized in various organism is identified and expansively used for medical or industrial applications as advanced field in the world. Natural compounds have been studied from more than a century. However, a complete list of natural compound even in a single cell organism is not accomplished yet, because it includes a lot of compounds with various properties. Recent technology such as LC-FT/ICR-MS analysis which is a high throughput method and provides mass values with very high accuracy and resolution, gives useful structural information. But identified or annotated compounds from these measurements were not many. This is partly because the spectral data of related authentic compounds is not so enough and structural information of MS/MS fragmentation pattern is rarely stored in public reference databases.
'MS-MS Fragment Viewer' is new database of the LC-FT/ICR-MS measurement of authentic compounds, and it contains FT-MS, IT- and FT-MS/MS spectral data with chemical information of each fragment ion, such as accurate mass, molecular formula and predicted structure. This database also includes the PDA spectra of these compounds which provide additional information of structure. This system would help to assign same compounds observed in your mass spectra, and also give some help to annotate a structure of unknown compound whose spectra are not provided enough in public. The spectral data of 116 flavonoids are currently stored in 'MS-MS Fragment Viewer', and we will expand this database to various compounds of metabolite in near future.
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