metabolite_name	PCC 7002 0 SEC REP 1	PCC 7002 0 SEC REP 2	PCC 7002 60 SEC REP 1	PCC 7002 60 SEC REP 2	PCC 7002 120 SEC REP 1	PCC 7002 120 SEC REP 2	PCC 7002 180 SEC REP 1	PCC 7002 180 SEC REP 2	PCC 7002 240 SEC REP 1	PCC 7002 240 SEC REP 2
3-phosphoglyceric acid	1825000	1809914.748	397000	397864.7562	189600	189758.9978	146500	146531.1831	143800	144545.2416
Acetyl coenzyme A	216300	187144.5723	103000	95456.91977	37110	31014.91095	20430	20311.98449	12440	17766.67371
ADP-Glucose	236363.7529	231200	36776.77178	39160	3497.701153	15740	11782.81148	12170	8055.256363	12020
ADP	1052000	615952.645	2283000	1291472.518	1585000	1436972.627	2090000	1344884.102	1908000	1447495.999
Aspartic acid	166843.8049	169799.7716	46379.87345	46394.01629	29962.95559	30920.09425	21953.58061	25995.42161	27922.77487	25512.83817
ATP	5865000	2619389.732	6068000	2597088.33	4210000	4017615.333	4567000	2500348.74	3580000	2521826.67
Citric acid	16280000	27137352.32	22060000	28545016.49	21300000	29048720.45	20530000	28784886.33	32090000	32332715.78
Glucose 6 phosphate	372300	280300	101200	98670	53930	74170	64950	28140	912.3	27410
Glutamic acid	6454000	6120000	5328000	5517000	5847000	5393000	4624000	4460000	5029000	4782000
Leucine	187332.3245	190645.4362	194909.8116	184260.5519	138918.3898	143141.446	112073.1538	120720.6836	127840.8323	119246.7778
Malate	715771.8932	738800	432258.8547	439300	260719.5945	234500	146536.8448	153700	142233.436	158300
nicotinamide adenine dinucleotide	211900	197184.9309	224800	212751.8614	219600	200295.1679	174000	170269.6746	232700	232441.5314
Sedoheptulose 7 phosphate	561900	444300	95910	80200	67200	64530	48110	49620	59100	51200
Succinic acid	789700	800000	493700	498700	349200	358300	349400	354000	349500	373700
Sucrose	3470000	3497112.158	3144000	3251845.298	3246000	3278608.459	2884000	2906881.366	3229000	3258915.414
Tyrosine	666178.3389	645388.2082	448455.8569	439872.226	310685.8726	310750.3772	217046.6913	218686.6716	229142.4485	217703.2177
UDP-Glucose	199027.6441	171900	62667.22165	61770	25495.70979	20050	12722.99954	12060	7464.802252	3018
Uridine monophosphate	3068000	2565363.449	4767000	4423167.365	4537000	4324243.151	4025000	3851815.727	5162000	5089080.562

metabolite_name	Elemental formula	KEGG ID	retention index (min)
3-phosphoglyceric acid	C3H7O7P	C00197      	12.29
Acetyl coenzyme A	C23H38N7O17P3S	C00024	15.36
ADP-Glucose	C16H25N5O15P2	C00498 	12.54
ADP	C10H15N5O10P2	C00008   	13.76
Aspartic acid	C4H7NO4	C00049  	5.14
ATP	C10H16N5O13P3	C00002	14.93
Citric acid	C6H8O7	C00158 	13.6
Glucose 6 phosphate	C6H13O9P	C00668	7.34
Glutamic acid	C5H9NO4	C00025 	5.09
Leucine	C6H13NO2	C00123    	2.35
Malate	C4H6O5	C00149  	11.5
nicotinamide adenine dinucleotide	C21H28N7O14P2	C00003	9.86
Sedoheptulose 7 phosphate	C7H15O10P	C05382 	7.99
Succinic acid	C4H6O4	C00042	11.3
Sucrose	C12H22O11	C00089	1.57
Tyrosine	C9H11NO3	C00082	3.3
UDP-Glucose	C15H24N2O17P2	C00029 	11.46
Uridine monophosphate	C9H13N2O9P	C00105	10.3