metabolite_name C13-U_Ctr_1_t0_PRESAT01 C13-U_Ctr_1_t24_PRESAT01 HMEC_U13CGlc_CTL_med24h HMEC_U13CGlc_MSA_med0h MDAMB231_13C_U_Ctr_0h_PRESAT01 MDAMB231_13C_U_Ctr_24h_PRESAT01 ZR751_Media_Ctl_0h_9_PRESAT01 ZR751_Media_Ctl_24h_13_PRESAT01 aGlc 13C-A 17378.15303 14818.53582 18242.41806 24938.86377 5379.08966 4759.404956 1664.175292 aGlc 13C-B 18700.17112 15550.41949 184.21 19230.7089 26473.46382 6174.153267 5613.86219 1838.700809 DSS 18222.56847 19242.60919 16906.48 16710.92822 20038.83914 18490.75061 17212.42347 14520.63211 Lac-3 15538.79 13082.62006 23003.05 3666.58 6557.39 12130.23624 1389.06 3252.019162 Lac13C-A 3476.901273 19364.88174 117000.26 11994.30115 4589.062897 99978.69827 17673.16071 Lac13C-B 4063.751829 21934.84855 124753.09 13277.52384 3859.167198 98854.99649 444.0870333 17475.85354 Thr-4 20445.52933 22131.75 22237.98 25666.94206 27699.81521 20342.54 2219.526891 1483.28 Val-Me 19992.65589 20590.35333 16364.09 20806.33091 23690.30993 16792.25673 2327.347805 1432.670026 metabolite_name retention index quantified m/z PubChem ID KEGG ID Common Name Hydrogen Number Isotope PPM Range aGlc 13C-A alpha-glucose 1 13C 5.0601840406437 - 5.089217417 aGlc 13C-B alpha-glucose 1 13C 5.34227566658487 - 5.370053034 DSS 2,2-Dimethyl-2-silapentane-5-sulfonate 2 12C -0.005872257 Lac-3 lactate 3 12C 1.4097129589625 - 1.422250453 Lac13C-A lactate 3 13C 1.29146759828232 - 1.323241202 Lac13C-B lactate 3 13C 1.50692207285929 - 1.538418541 Thr-4 threonine 4 12C 1.3442860987363 - 1.362396707 Val-Me valine 5 12C 1.06006730095028 - 1.080016776