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