请问有人用过MassLib质谱软件吗？或知道相关内容？ MassLib combines a high value of mass spectroscopical contents with chemical structures and ease of use.
MassLib is a library oriented mass spec application: Low resolution EI-spectra may be used for structure elucidation as MassLib makes more relevant spectra useful and available from large spectra libraries than any other comparable software.
MassLib libraries contain spectra, structures and additional information, all searchable. MassLib's unique combination of mass fragment and neutral loss searches ends up frequently in ideas about the structure of the unknown compound. These hypothetical structures may be drawn using MassLib's very fast structure editor and then searched in the libraries in order to get the best suited spectra from the library to be compared to the spectrum of the unknown compound.
MassLib is, however, not restricted to EI spectra: MassLib already offers the possibility to store non-nominalized gc/MS, LC/MS and MS/MS spectra into libraries and to recall them using spectra, structure and data searches on any information stored in library fields. MassLib will soon be the most advanced and most adequate tool for gc/MS, LC/MS and MS/MS search and structure confirmation ...
MassLib is a frontend software for any spectrum server. Spectra registered into a MassLib library may e.g. get automatically registered into the SpecInfo database.
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