This work lead by recent graduate, Dr. Dmitry Leontyev, and current student, Eric Gier, examines the combined calculation of CCS values, derived both from a cyclic ion mobility mass spectrometry and machine learning algorithms, to improve metabolite annotation. The collection of high accuracy multi-pass CCS values allowed for metabolite annotation via database matches when tandem mass spectrometry data was not collected and for filtering out incorrect annotations when using the SIRIUS software platform.