theoretical fragments February 28, 2012, 02:15:42 AM Hi,I have been using your METLIN database for performing metabolite identification. Its been very useful for us. I am in the process of writing an algorithm for an in-house tool. I am wondering how the theoretical fragments are generated? Are there any set of rules I can refer, similar to Domon-Costello nomenclature for glycans and Murphys table for Glycerophospho lipids etc?I will appreciate for any sort of help.Thanks in advance.