Download Mass Spectrometry Peaks apk 1.0 free for Android smartphone
Apk file size: 278.0 KB
*** Calculate Chemical Formula From Exact Mass ***
This app calculates the chemical formula from exact mass measured in mass spectrometry. It requires the input of the monoisotopic mass, its charge and the ionizing molecule. The chemical formula calculation supports the elements C H N O P S (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) with a maximal content of 1 single P or S. Thus the app is suited for instant identification of metabolites (small molecules) in non-targeted (open) metabolomics approaches using mass spec.
Positively charged ions with different adducts and with a maximal mass of 500 Da are supported (bigger masses are hard to identify and require much more calculation time).
The chemical formula is automatically checked for even electron content and mass distribution for the different elements. Whether matching formulas are common chemicals can be checked by following the rpvided link to PubChem from NCBI.
rpor part of our Medical and have average installs from 1000 to 5000. Last Update June 27, 2013. Google play rating is 75.3846. Current verison is 1.0. Actual size 278.0 KB.
Many compounds given cannot exist It can be useful but the index of hydrogen deficiency is off on many of the compounds. In other words a lot of the compounds cannot and don't exists
Seems pretty good Did not crash with usage. Didn't have time to test with actual ms problem. Will recommend to orgo students I encounter.