metabolite_name	E_1	E_2	E_3	E_4	E_5	E_6
Acetate	23156.3	22507.3	26619.8	25692.3	24549.5	25378.3
Alanine	119.2	113.3	107.4	101.8	112.1	125
Citrate	620	504.3	534.9	481.6	513.3	671.3
Dimethylamine	112.9	141.9	88.1	69.8	110.1	121.8
Formate	8.4	8.9	10.6	13.4	9.6	12.1
Glucose	1761.8	1646.6	1507.1	1480.7	1632.7	1777.2
Glutamate	93.2	84.4	80.5	73.8	87.9	94
Glutamine	91.6	88.4	100.3	79.2	83.2	105
Glycine	94.1	78.8	81.3	72.3	83.1	88.7
Histidine	21.6	17.7	22.8	17.5	21.8	25.2
Isoleucine	23.4	22	21	20	20.2	24.8
Lactate	891.9	854	725.2	713.2	836.9	797.1
Leucine	40.8	38.6	35.3	31.6	37.4	39.4
Malonate	720.5	653.2	569.3	599.2	743	846.6
Methanol	5744.3	4384.3	2410.6	2281.1	4809	5155.3
Methylamine	923.9	1241.8	806.4	595.9	881.5	1115.8
Phenylalanine	13.9	16.9	11	13.4	15.6	19.3
Pyruvate	11.3	8.5	10.2	9.4	11.2	15.1
Succinate	5.4	5.6	5.3	4.7	5.8	4.7
Threonine	49.7	51.5	47	40.6	45.7	68.8
Thymine	1255.5	1368	1451.3	1280.5	1298.4	1380.9
Trimethylamine N-oxide	332.9	255	239.3	283.7	399.3	304.6
Tyrosine	28.5	27.9	26	27.4	25.6	23.3
Valine	75.4	66.4	64.3	57.5	62.9	70.9
methyl sulfone	924.6	951.7	634.4	762.5	938.9	1233.8

metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
Acetate
Alanine
Citrate
Dimethylamine
Formate
Glucose
Glutamate
Glutamine
Glycine
Histidine
Isoleucine
Lactate
Leucine
Malonate
Methanol
Methylamine
Phenylalanine
Pyruvate
Succinate
Threonine
Thymine
Trimethylamine N-oxide
Tyrosine
Valine
methyl sulfone