Retrospective evaluation of iterations 1.0, 2.0, 3.0, 3.5 and 4.2 final showed that MSCheck matched with 82.9 % of the human-made analysis of synthesis outcomes (Table ). MSCheck, including data preparation and script preparation, took five days to complete without the onerous task of constantly staring at a screen scanning for mass matches (Table ). The workflow's efficiency can be improved by storing reaction details in a database, which would then allow for the quick identification and comparison of LCMS data with anticipated results. Currently, the bulk of the time is consumed in preparing the data files, a process that can be shortened to just a few minutes since the peak matching algorithm itself only takes a short time to execute. Currently, MSCheck identifies only prominent ion matches in the mass spectrum; enhancing it to also detect smaller peaks through a threshold or signal-to-noise ratio would increase analytical precision.