Three traditional grinds (commodity products) and 7 non-traditional grinds (branded products) were obtained to investigate the metabolites in ground beef associated with beef flavor or off-flavor. Three packaging methods were used: traditional overwrap, modified atmosphere package, and clear plastic retail chub. Samples were collected for sensory evaluation and metabolic profiling utilizing LC/MS. Principal component analysis was conducted for classification of grind source or packaging method. Partial least squares regression was applied to investigate the relationship between metabolic data and sensory data. Grass-fed beef and natural beef products were clearly separated from the other grinds. A total of 576 metabolites were registered. Thirty-three compounds were selected as the most important ones differentiating beef grinds. Twenty-two compounds were selected as the most important ones associated with beef flavor and off-flavor. In conclusion, metabolomic approach was effective to determine the most important compounds associated with certain quality characteristics of beef.