I have would like to search for chemical formula prediction of a particular mass; I selected ms/ms filter, but unlike MZmine 2, it doesn't ask me to "select mass list file". In the output chemical ...

parse_formula is a string parser designed for MATLAB and that permits to convert linear or condensed chemical formulas into the corresponding raw chemical formulas. The script offers additional ...

Abstract: With the recent emergence of pen-based and touch based input devices such as Apple's iPad and Samsung's Galaxy Tablet, it has become more feasible now to input chemical formulas directly by ...