metabolite_name	NecJ 4h 1	NecJ 4h 2	NecJ 4h 3	NecJ 4h 1-	NecJ 4h 2-	NecJ 4h 3-	NecJ 4h 1+	NecJ 4h 2+	NecJ 4h 3+	NecJ 8h 1	NecJ 8h 2	NecJ 8h 3	NecJ 8h 1-	NecJ 8h 2-	NecJ 8h 3-	NecJ 8h 1+	NecJ 8h 2+	NecJ 8h 3+
UTP	2.40E+03	4.98E+03	3.92E+03	4.09E+03	3.07E+03	6.08E+03	2.67E+03	1.30E+03	3.99E+03	3.66E+03	3.08E+03	5.93E+03	1.67E+03	3.64E+03	3.64E+03	3.16E+03	5.39E+03	3.54E+03
Uracil	2.00E+05	2.04E+05	2.01E+05	2.06E+05	2.30E+05	2.25E+05	1.94E+05	1.91E+05	1.64E+05	1.77E+05	1.66E+05	2.29E+05	1.98E+05	1.83E+05	2.58E+05	1.97E+05	1.95E+05	2.03E+05
Urate	1.37E+05	1.54E+05	1.80E+05	2.64E+05	1.42E+05	4.09E+05	2.09E+05	2.62E+05	4.24E+05	1.03E+05	6.92E+04	9.51E+04	3.26E+04	9.69E+04	4.80E+04	1.38E+05	2.65E+05	1.69E+05
3',5'-Cyclic IMP	1.47E+05	2.93E+04	2.76E+04	1.62E+05	3.81E+04	1.74E+05	7.02E+04	1.80E+04	3.27E+05	1.26E+05	1.94E+04	3.13E+05	7.72E+02	5.13E+04	0.00E+00	1.52E+05	2.10E+05	3.06E+04
Phosphate	9.91E+07	1.07E+08	1.05E+08	8.93E+07	8.34E+07	1.28E+08	1.05E+08	1.02E+08	1.13E+08	8.67E+07	8.49E+07	1.10E+08	1.06E+08	1.03E+08	1.10E+08	1.01E+08	8.55E+07	9.69E+07
Diphosphate	9.71E+06	1.61E+07	1.10E+07	1.04E+07	1.05E+07	2.25E+07	1.17E+07	1.11E+07	1.60E+07	1.12E+07	8.09E+06	1.68E+07	1.65E+07	1.28E+07	1.36E+07	1.48E+07	1.14E+07	1.38E+07
D-Glucose	2.45E+06	1.67E+06	2.00E+06	2.23E+06	1.85E+06	1.86E+06	2.14E+06	1.77E+06	2.77E+06	2.20E+06	1.99E+06	2.07E+06	2.39E+06	1.75E+06	1.64E+06	2.64E+06	2.72E+06	1.64E+06
D-Glucose 6-phosphate	3.89E+05	3.22E+05	4.59E+05	4.68E+05	3.62E+05	4.05E+05	7.12E+05	5.56E+05	5.70E+05	5.41E+05	4.71E+05	3.89E+05	3.22E+05	4.37E+05	2.33E+05	5.96E+05	6.39E+05	4.69E+05
D-Fructose 1-6-bisphosphate	9.77E+04	1.14E+05	1.73E+05	2.28E+05	1.33E+05	4.04E+05	1.46E+05	1.38E+05	2.77E+05	9.15E+04	5.79E+04	1.13E+05	2.40E+04	9.02E+04	1.95E+04	8.01E+04	1.48E+05	1.23E+05
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	2.80E+05	1.68E+05	2.51E+05	2.42E+05	1.91E+05	2.86E+05	2.29E+05	3.28E+05	3.05E+05	2.32E+05	1.43E+05	1.84E+05	1.59E+05	1.40E+05	4.37E+04	1.13E+05	2.06E+05	2.80E+05
Pyruvate	2.95E+05	2.74E+05	3.82E+05	3.10E+05	2.60E+05	2.64E+05	3.45E+05	2.88E+05	3.66E+05	3.74E+05	3.08E+05	2.70E+05	3.57E+05	2.76E+05	3.52E+05	3.67E+05	3.65E+05	2.86E+05
Lactate	1.69E+06	2.21E+06	3.15E+06	1.89E+06	1.79E+06	2.50E+06	2.82E+06	2.23E+06	1.80E+06	4.71E+06	2.02E+06	1.97E+06	1.41E+06	1.71E+06	3.48E+06	1.74E+06	1.43E+06	2.67E+06
Maltose	2.82E+04	5.03E+04	9.80E+04	4.44E+04	1.60E+04	6.52E+04	7.03E+04	4.61E+04	2.71E+04	1.45E+05	7.37E+03	1.79E+04	3.39E+04	1.07E+04	2.13E+05	3.44E+04	2.18E+04	4.71E+04
Citrate	5.41E+05	8.18E+05	1.05E+06	3.95E+05	4.67E+05	3.92E+05	8.93E+05	7.81E+05	6.74E+05	1.40E+06	4.28E+05	9.83E+05	5.81E+05	9.24E+05	9.44E+05	1.55E+06	7.15E+05	1.23E+06
Succinate	9.49E+04	1.02E+05	1.85E+05	1.03E+05	5.83E+04	6.55E+04	1.30E+05	1.37E+05	1.68E+05	9.96E+04	1.28E+05	1.31E+05	1.06E+05	9.30E+04	1.25E+05	2.07E+05	1.78E+05	2.21E+05
Fumarate	9.97E+03	1.18E+04	6.43E+03	2.14E+04	8.40E+03	1.21E+04	1.59E+04	1.35E+04	9.41E+03	9.98E+03	5.91E+03	6.36E+03	6.83E+02	1.16E+04	4.69E+02	5.88E+03	7.05E+03	1.41E+04
Malate	2.84E+05	7.41E+05	6.49E+05	1.91E+05	3.66E+05	2.93E+05	5.09E+05	8.54E+05	3.95E+05	5.10E+05	3.65E+05	3.40E+05	2.73E+05	3.58E+05	7.00E+05	4.91E+05	3.35E+05	7.10E+05
Oxaloacetate	1.75E+05	1.66E+05	1.77E+05	1.70E+05	1.81E+05	2.37E+05	1.74E+05	1.54E+05	1.90E+05	1.65E+05	1.50E+05	2.03E+05	1.41E+05	1.28E+05	1.76E+05	1.91E+05	1.93E+05	1.99E+05
Itaconate	2.00E+06	2.16E+06	7.04E+05	1.58E+06	1.85E+06	2.65E+06	4.60E+06	4.94E+06	5.50E+06	2.39E+06	2.08E+06	2.99E+06	2.18E+06	2.58E+06	2.01E+06	2.52E+06	6.30E+06	6.55E+06
2-Hydroxyglutarate/Citramalate	2.33E+05	3.49E+05	2.66E+05	1.63E+05	2.15E+05	1.77E+05	2.18E+05	2.50E+05	1.91E+05	2.26E+05	2.87E+05	2.56E+05	1.52E+05	2.43E+05	2.17E+05	2.20E+05	1.98E+05	2.78E+05
Sedoheptulose 1-phosphate	7.13E+04	6.20E+04	1.01E+05	9.71E+04	8.26E+04	8.52E+04	1.13E+05	1.28E+05	1.16E+05	8.95E+04	8.11E+04	6.71E+04	6.15E+04	8.03E+04	5.67E+04	9.87E+04	1.09E+05	9.43E+04
alpha-D-Ribose 1-phosphate	8.82E+04	4.42E+04	9.34E+04	8.90E+04	7.10E+04	7.97E+04	1.78E+05	1.54E+05	1.21E+05	5.87E+04	5.45E+04	4.19E+04	5.09E+04	7.14E+04	3.82E+04	8.86E+04	8.77E+04	8.34E+04
Glutathione	1.43E+05	1.44E+05	1.35E+05	2.47E+05	1.68E+05	2.29E+05	1.68E+05	1.57E+05	2.14E+05	2.77E+05	2.36E+05	2.47E+05	1.41E+05	1.88E+05	1.32E+05	2.04E+05	3.41E+05	2.50E+05
Ascorbate	1.22E+05	1.21E+05	1.68E+05	1.33E+05	1.17E+05	1.16E+05	1.33E+05	1.23E+05	1.80E+05	1.54E+05	1.40E+05	1.16E+05	1.59E+05	1.36E+05	1.37E+05	1.83E+05	1.63E+05	1.19E+05
Ornithine	9.14E+04	4.72E+04	6.50E+04	8.32E+04	6.85E+04	6.47E+04	1.58E+05	1.17E+05	1.00E+05	5.68E+04	2.55E+04	3.81E+04	4.39E+04	3.41E+04	5.91E+04	7.14E+04	7.91E+04	7.14E+04
N-Glycoloyl-neuraminate	3.02E+04	4.14E+04	4.19E+04	3.16E+04	3.83E+04	2.33E+04	3.76E+04	4.89E+04	3.24E+04	6.30E+04	6.79E+04	7.23E+04	4.04E+04	4.70E+04	3.44E+04	4.15E+04	5.41E+04	5.21E+04
1-4-beta-D-Xylan	7.91E+04	4.47E+04	6.74E+04	7.54E+04	5.88E+04	6.79E+04	6.57E+04	6.59E+04	9.26E+04	8.54E+04	7.19E+04	8.18E+04	9.22E+04	5.15E+04	6.82E+04	9.73E+04	1.01E+05	5.97E+04
N-formyl kynurenine	5.36E+04	5.19E+04	5.64E+04	4.05E+04	5.04E+04	4.19E+04	8.19E+04	7.87E+04	5.80E+04	7.09E+04	7.29E+04	4.72E+04	5.95E+04	6.55E+04	7.71E+04	1.02E+05	9.66E+04	9.26E+04
2-Oxoadipate	1.09E+05	9.05E+04	1.16E+05	1.20E+05	1.07E+05	8.49E+04	1.28E+05	1.10E+05	1.37E+05	1.05E+05	1.21E+05	1.01E+05	1.39E+05	1.03E+05	1.11E+05	1.65E+05	1.39E+05	9.42E+04
Glycerol 3-phosphate	3.97E+04	3.15E+04	4.07E+04	4.46E+04	3.77E+04	5.58E+04	5.45E+04	5.98E+04	6.79E+04	4.37E+04	3.62E+04	3.68E+04	2.61E+04	4.25E+04	3.26E+04	3.68E+04	3.77E+04	4.41E+04
Ethanolamine phosphate	8.59E+05	7.38E+05	5.73E+05	7.53E+05	7.66E+05	5.80E+05	7.58E+05	7.27E+05	5.92E+05	1.23E+06	1.10E+06	1.21E+06	1.04E+06	1.04E+06	1.21E+06	6.18E+05	1.06E+06	8.03E+05
2-Methyleneglutarate	2.73E+05	1.76E+05	2.43E+05	2.03E+05	2.06E+05	1.64E+05	1.77E+05	2.02E+05	2.59E+05	2.29E+05	2.05E+05	2.08E+05	2.60E+05	1.90E+05	2.11E+05	2.94E+05	2.83E+05	1.83E+05
D-glucono-1,5-lactone	2.68E+05	2.40E+05	3.30E+05	3.12E+05	2.85E+05	2.39E+05	2.79E+05	2.40E+05	3.45E+05	2.96E+05	2.82E+05	2.15E+05	3.44E+05	2.43E+05	2.57E+05	3.93E+05	3.54E+05	2.40E+05
9-Oxononanoic acid	2.98E+04	6.44E+04	8.52E+04	6.06E+04	4.77E+04	6.24E+04	3.13E+04	5.50E+04	2.92E+04	4.37E+04	4.51E+04	2.89E+04	3.32E+04	4.47E+04	3.77E+04	5.27E+04	3.55E+04	2.82E+04

metabolite_name	KEGG ID	m/z	r.t.
UTP	C00075	482.9600	2.16
Uracil	C00106	111.0185	1.17
Urate	C00366	167.0196	1.21
3',5'-Cyclic IMP	C00943	329.0299	1.26
Phosphate	C00009	96.9680	1.15
Diphosphate	C00013	176.9346	1.12
D-Glucose	C00031	179.0552	1.19
D-Glucose 6-phosphate	C00092	259.0215	1.14
D-Fructose 1-6-bisphosphate	C00354	338.9883	1.27
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.9886	1.14
Pyruvate	C00022	87.0071	1.20
Lactate	C01432	89.0228	1.30
Maltose	C00208	341.1084	1.22
Citrate	C00158	191.0187	1.09
Succinate	C00042	117.0178	1.15
Fumarate	C00122	115.0023	1.47
Malate	C00149	133.0128	1.12
Oxaloacetate	C00036	131.0003	1.17
Itaconate	C00490	129.0177	1.76
2-Hydroxyglutarate/Citramalate	C02630	147.0286	1.10
Sedoheptulose 1-phosphate	C06222	289.0324	1.12
alpha-D-Ribose 1-phosphate	C00620	229.0110	1.14
Glutathione	C00051	306.0761	1.26
Ascorbate	C00072	175.0242	1.19
Ornithine	C01602	131.0811	1.22
N-Glycoloyl-neuraminate	C03410	324.0929	1.13
1-4-beta-D-Xylan	C02352	131.0337	1.20
N-formyl kynurenine	C02700	235.0750	1.21
2-Oxoadipate	C00322	159.0289	1.20
Glycerol 3-phosphate	C00093	171.0054	1.14
Ethanolamine phosphate	C00346	140.0103	1.13
2-Methyleneglutarate	C02930	143.0336	1.20
D-glucono-1,5-lactone	C00198	177.0397	1.19
9-Oxononanoic acid	C16322	171.1015	1.32