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LC-MS/MS data browser designed for siderophore analysis
...Some of the functionality and use of MS2Browser is described as part as an open-access book chapter:
http://www.intechopen.com/books/applications-from-engineering-with-matlab-concepts/small-molecule-lc-ms-ms-fragmentation-data-analysis-and-application-to-siderophore-identification
A siderophore structural database assembled for this project can be found alongside the MS2Browser software (.cfw format to be used with ChemBioFinder(TM) ).
NOTE: The program is written for personal use to assist siderophore analysis using high-resolution LC-MS/MS data. Please contact me if you have any questions about its use, bugs, etc.
JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.