Due to mass defect, the high resolution mass spectrum could be used for qualitative analysis. However, I am curious about the distribution of the decimal part of real compounds’ exact mass. If compounds are generated randomly, the decimal part of exact mass should be uniform distributed between 0 and 1. However, we all know compounds should follow chemical property to form new compounds. In this case, let’s see what happened for certain compounds database.
Again, we use HMDB to make a demo. This is the decimal part of real compounds’ exact mass for 13251 unique exact mass in …