Applying MIST to this new dataset presented certain challenges, primarily due to a scarcity of documentation on how to preprocess and integrate new data into MIST's workflow. This included a reliance on SIRIUS for data preprocessing-including the creation of its input files-and a retrieval database, necessitating an examination of the source code to deduce the requisite steps. Although not considered in this analysis, it is worth noting that the most recent MIST v2.0.0 has removed the dependency on SIRIUS, streamlining the process. Additionally, modifications were required to address hard-coded file paths in the codebase.