Based on metabolite profiles acquired for extracts of ABCB5-WT and ABCB5-KD G3361 melanoma cells, 45 metabolite concentrations were obtained for each sample group (see Figures A-C in S1 File for representative metabolite spectra for extracts of ABCB5-expressing G3361 cells; Tables A-D in S1 File). Here, ABCB5 is linked to melanoma.