DownloadWindows binaries and cross-platform source code for processing of EI-MS (GC-MS) and ESI-MS/MS (LC-MS) data for identification of metabolites.
Includes tools for applying Competitive Fragmentation Modeling (CFM) to spectrum prediction and metabolite identification tasks, as well as a tool for fragment generation, and another for peak annotation.
For further documenation see https://sourceforge.net/p/cfm-id/wiki/Home/
For related publications, and their associated supplementary data, please see https://sourceforge.net/p/cfm-id/wiki/Home/#related-publications
There is also a web server supporting much of this functionality at http://cfmid.wishartlab.com
For CFM3.0, please see http://cfmid3.wishartlab.com/. This is work done by Yannick Djoumbou Feunag, so for assistance with this, please contact him. See https://sourceforge.net/p/cfm-id/wiki/Home/#cfm-id-30 for further information.
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User Reviews
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I'm a drug metabolism researcher. Analysis of mass spectrometry data for metabolites is often required. Colleagues recommend CFM-ID for mass spectrum structure analysis is very helpful, and I would like to try to use it.
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Great user-friendly tool!
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I tried to using cfm-anotate in vain for hours. -Documentation is minimal and outdated. -Parsing of the commands either crashes or provides minimal feedback. -Even after /finally/ figuring out how to use the commands and using both my own data and the examples from the page, the program just crashes mid-way with no clue as to what is wrong. EDIT: Finally got it to "not-crash". A suggestion: do not list a parameter as optional and then require the application to read in a default file that isn't provided with the code. Regardless, the parameter parsing is very unclean. Try some error handling for missing files/invalid data, etc. UPDATE: It does what I want now and from a research perspective it is a good tool. Generally, could by more user-friendly, especially to non-experts in the field.
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Excellent!
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Interesting stuff!