metabolite_name	D_1	D_2	D_3	D_4	D_5	D_6
Acetate	40.9	40.9	41	41.3	40.6	42
Acetone	23.6	22.2	22.6	22	23.7	23.8
Alanine	152.2	149.9	151	150.7	148.1	150.4
Citrate	812.3	712.4	724.4	762.1	681.6	699.1
Creatine	16	15.2	15.4	13.8	13.1	16
Creatinine	18.3	21	24.7	27.6	30.3	28.9
Dimethylamine	186.6	180.6	189.6	182.3	160.5	208.8
Ethanol	269.9	386.2	362.2	353.4	349.4	397
Glucose	2355.8	2378.6	2357	2458.6	2358.5	2371.3
Glutamate	109.8	98	102.5	104.9	110.6	84.2
Glutamine	143.8	114.4	112.7	114.7	112.7	134.3
Glycine	115.2	101.8	103.3	101.1	104.1	102.2
Histidine	16.1	13.7	14.6	17.6	13.6	16
Isoleucine	30.3	28.5	28.3	27.8	28.8	28.8
Lactate	1032.6	984.6	998.4	994.2	982.7	986.1
Leucine	38.9	40.8	42.9	46	38.7	49.8
Lysine	34.8	28.8	23.6	25.8	21.8	31.4
Malonate	1046.7	998.2	940.4	890.8	889.9	958.4
Methanol	71.1	74.3	80.9	83.1	84.1	85.2
Methylamine	993.9	893.5	983.6	918.7	752	1042
Propylene glycol	5.9	6.3	6.3	6.4	5.9	5.4
Pyruvate	20.8	24.1	23.9	24	24.1	24
Succinate	3.8	4.5	3.3	3.4	4.3	4.5
Threonine	56.1	78.6	76.1	73.9	63.6	63.4
Trimethylamine N-oxide	14.5	14.6	15.4	12.2	13.5	13.6
Tyrosine	22.9	22	20.5	21.4	20.9	22
Valine	92.3	90.5	90.7	91.2	89.8	91.3

metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
Acetate
Acetone
Alanine
Citrate
Creatine
Creatinine
Dimethylamine
Ethanol
Glucose
Glutamate
Glutamine
Glycine
Histidine
Isoleucine
Lactate
Leucine
Lysine
Malonate
Methanol
Methylamine
Propylene glycol
Pyruvate
Succinate
Threonine
Trimethylamine N-oxide
Tyrosine
Valine