metabolite_name	1	2	3	4	5	6	7	8	9	Ghost (blank)
Pyruvic acid	19.27	19.15	19.59	18.76	19.9	16.12	17.73	19.6	19.84	
Lactic acid	24.4	24.13	24.25	24.19	25.32	24.29	23.6	24.49	24.82	12.83
2-Hydroxyisobutyric acid	13.26	13.58				12.91				
Glycolic acid		16.69	15.34	16.95	17.57	17.16	15.46		16.65	
3-Methyl pyruvic acid			13		11.28					
Alanine	20.26	21.12	20.13	20.85	20.9	20.9	21.04	20.41	20.73	
2-Ketovaline	15.6	14.05	15.48	15.65	15.46	14.26	14.84	14.33	14.76	
2-Hydroxybutyric acid	17.6	18.17	18.92	18.3	19.33	19.08	18.57	18.49	19.33	
P-Cresol				13.56	11.85	13.46	12.12	13.36	12.07	
Leucine	17.29	17.49	17.49	17.6	17.93	17.52	18.07	17.53	16.85	
3-Hydroxybutyric acid	18.74	19.55	19.25	18.93	20.34	21.96	18.92	19.94	17.72	
2-Hydroxyvaleric acid	14.66	16.87	14.72	16.52	16.32	15.29	15.13	14.08	15.14	
N-Methylalanine/2-Aminobutanoic acid	14.62	16.1	15.09	15.35	16.45	16.02	15.76	17.48	15.21	
2-Ketoleucine/ketoisoleucine	17.22	15.55	16.87	17.03	16.97	16.78	16.22	17.02	16.96	
Valine	18.53	20.28	18.78	20.15	20.39	19.47	19.59	19.83	18.98	
Urea	25.05	26.03	25.25	26.2	26.22	25.5	25.6	25.73	25.4	
Caprylic acid	15.42	16.97	13	15.75	15.4	15.18	16.63	16.9	14.43	
Ethanolamine	14.17	13.67	14.8	15.09	15.06	15.5	16.63	17.59	14.8	
Phosphoric acid	23.93	24.92	24.59	25.03	25.41	25.29	24.29	24.65	25.07	20.07
Glycerol	21.39	20.95	23.12		23.4	23.36	24.29	23.97	21.25	18.21
Isoleucine/Leucine	16.83	18.11	17.45	17.86	19.46	18.28	16.91	16.75	16.41	
Proline	18.54	19.97	17.49	18.55	20.2	19.24	17.65	17.16	16.62	
Glycine	18.96	18.69	19.63	19.34	20.44	20.85	19.88	20.88	20.06	
Succinic acid				16.79	16.78	19.06		16.46		
Maleic acid	15	15.77			16	15.8	13.3		15.97	
Glyceric acid	15.72	17.13	16.36	17.89	17.09	18.28	17.08	17.32	17.57	
Uracil						12.91		11.32		
Fumaric acid				11.93	13.24	11.79			12.62	
Serine	17.69	19.91	18.1	19.02	20.44	20.48	15.95	17.47	18.43	
Pelargonic acid	11.28	13.06			12.32	13.77	12.2		13.22	
Threonine	18.95	21.51	18.89	20.06	21.44	20.69	17.36	18.03	19.26	
beta-Alanine		10.99			11.93		12.57	12.74	11.17	
Capric acid	14.59	11.4	12.52	12.96	13.39	14.32	15.65	15.05		
Aminomalonic acid	17.73	19.9		19.68	20.65	20.57	17.64		20.12	
Malic acid	13.36	15.54		16.58	16.87	17.74	14.3	15.66	15.57	
Threitol/Erythritol	16.11	17.92	16.24	16.98	17.39	16.81	15.71	16.49	16.69	
Aspartic acid	13.3	15.96	13.56	15.24	16.14	15.35	13.01	13.78	14.41	
3-Methyloxyindole		15.85			17.4					
Methionine	15.81	17.41	15.46	16.73	17.85	17.05	13.66	15.84	16.04	
Hydroxyprolines	16.04	16.57	16.28	16.49	19.59	16.29	13.77	15.74	16.84	
Erythronic acid	14.11	16.01	14.95	16.35	16.56	16.68	15	15.66	16.23	
Threonic acid	17.36	18.43	17.88	18.98		19.03	17.48	17.78	18.46	
Oxoglutaric acid	15.79			17.65	18.43	17			13.88	
Glutamic acid	19.33	18.53	17.58	20.63	21.72	22.02	17.96	18.45	19.52	
3-Hydroxymethylglutaricacid				19.04		19.69				
Phenylalanine	18.83	20.28	19.28	20.19	20.8	20.26	19.12	19.46	19.23	
Lauric acid	15.65	13.94	16.6	14.72	16.19	17.14	16.29	17.45		
Aldopentoses	12.92	14.46	13.41	12.77	12.15	14.67	14.89	14.96	13.87	
Pyrophosphate	14.72	16.08	16.78	16.81	16.93	17.58	16.83	16.89	17.92	
Asparagine	16.65	18.21	17.45	17.68	18.8	18.57	16.53	17.33	17.59	
Pentitols	14.74	17.11	15.01	16.19	16.33	15.69	15.06	15.58	15.46	
6-Deoxyhexose	13.78	12.78	13.13	12.54	14.44	12.79	13.69	14.08		
sn-Glycero-3-phosphate	11.94	16.47		16.89	16.56	17.71	13.41	14.84	15.35	
Gentisic acid			12.03			13.17				
Pentonic acids		13.17		13.75		11.59	13.74	14.04	11.7	
Glutamine	19.7	21.55	20.56	21.88	21.94	21.39	19.52	20.49	21.49	
Phosphoethanolamine						12.9	15.11	14.77		
3-Phosphoglyceric acid			16.23		16.99			14.79		
Shikimic acid	15.75	16.27	16.23	15.48	17.21	16.57	14.38		17.76	
Hippuric acid						13.01			14.43	
3-Methylhistidine				11.81	13.32					
Hypoxanthine	14.14	15.5	13.48		10.42	14.37	15.11	14.48	15.37	
Citric acid/isocitric acid	19.59	21.26	20.5	21.05	22.38	22	19.63	20.99	21.15	
Ornithine	18.4	18.81	18.47	18.62	19.9	19.3	19.63	19.18	18.77	
Arginine/Citrulline					12.4	12.93			12.1	
1,5-Anhydrosorbitol	22.01	21.46	21.09	22.36	22.51	22.43	21.13	22.22	21.44	
Myristic acid	17.29	15.51	19.02	15.87	16.78	16.95	17.2	19.72	14.45	12.14
Quinic acid		13.13		14.17	13.67	15.36	15.59			
Caffeine		16.51		13.54		14.84	17.48			
Fructose or similar ketohexose	16.85	19.68	16.23	19	18.92	17.32	17.82	17.82	17.86	
Dehydroascorbic acid		19.93		18.85	19.77	19.88	17.05	17.69	20.24	
Hexose	26.45	26.76	26.49	26.71	26.74	26.63	26.56	26.57	26.99	10.45
Histidine	15.88	18.29	16.14	17.94	18.22	18.14	15.16	16.16	17.31	
Lysine	18.59	20.68	19.89	20.16	21.03	20.8	19.72	20.02	20.47	
Methyl palmitate	16.79	21.56	16.61	19.95	18.57	20.99	21.23	21.56	18.92	
Tyrosine	19.2	20.38	19.79	19.82	20.4	20.46	19.9	20.1	19.82	
Gluconic acid	18.73	19.89	19.06	19.9	20.05	20.14	19.36	19.28	21.34	
Indoleacetic acid	12.82		12.78	13.23	12.66	14.29	13.6	12.82	12.31	
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid		12.9	13.21			12.37	12.5		13.73	
5-Hydroxylysine			12.16		13.14	12.39	10.08		12.83	
Palmitoleic acid	17.11	17.27	19.49	17.58	19.14	19.21	17.61	20.37	16.66	
Palmitic acid	23.14	22.49	23.8	22.68	23.06	23.4	23.09	23.64	22.15	21.9
3-Indolepropionic acid	11.18		14.93	11.67	12.88	14.8	13.66	13.72	14.97	
Myo-inositol	18.75	20.17	19.08	20.14	19.84	20.05	18.88	19.49	19.83	
Uric acid	21.2	19.97	20.81	21.26	21.41	21.81	19.52	19.42	21.17	
Methyl linoleate		18.78		17.57	15.42	19.41	19.58	20.59	16.27	
Methyl oleate		18.22		16.56	14.23	18.02	18.37	19.14	15.47	
Methyl stearate	16.57	21.52	17.98	20.46	18.72	21.84	22.02	22.58	19.53	
Heptadecanoic acid/Octadecanol	13.95	12.15	14.85	13.18	13.94	14.34	14.34	15.83		10.45
3-Indolelactic acid	12.84			14.03						
1-Methyltryptophan	11.85	14.44	14.26	15.72	15.77		10.55	12.52		
Linoleic acid	21.79	19.53	23.05	21.15	21.53	22.52	21.8	22.78	20.46	17.04
Tryptophan	18.83	17.92	18.77	19.8	20.79	19.47	18.93	19.27	20.03	
Oleic acid	22.89	20.87	23.97	21.57	22.77	23.14	23.03	23.74	20.6	14.81
Cystine	14.84	16.79	14.14	15.13	17.43	15.95			16.36	
Hexose 6-phosphate		10.84		10.7		12.97		10.76		
Arachidonic acid	16.26	17.53	17.91	18.78	17.61	19.14	18.2	18.21	18.34	16.18
Arachidic acid/ 1-Heneicosanol	12.4		13.99	13.97	13.65	13.24	13.63	13.79	11.87	
5-Methoxytryptamine/Serotonin						16.89	16.66	17.07		
MG 0:0/16:0/0:0	17.14	17.8	18.26	18.04	18.02	17.93	17.93	17.8	18.04	15
Docosahexaenoic acid			14.36	14.48	12.27	15.77	15.31	14.28	14.26	
Cellobiose or similar disaccharide	16.26	18.86	14.97	17.75	17.57	19.8	19.19	16.9	18.05	
MG 0:0/18:0/0:0	20.52	21.08	21.55	21.22	21.04	21.08	21.15	20.95	21.17	18.44
MG 18:1(9Z)/0:0/0:0	12.24	13.06	13.54	13.02	14.07	14.07	13.6	15.34	13.87	12.38
Maltose or similar disaccharide	12.46	16.64	11.93	15.22	14.67	17.79	17.06	13.67	15.6	
gamma-Tocopherol	15.03	16.35	16.77	15.35	15.43	16.06	15.51	15.74	16.79	
AMP		12.58			10.36					
alpha-Tocopherol	17.85	19.6	19.24	19.65	18.84	19.65	19.62	19.76	19.35	
Cholesterol	24.06	25.82	25.32	25.25	24.86	25.67	25.75	25.68	25.22	
Campesterol			11.63		13.16	13.07		16.7	12.74	
Sitosterol					12.89	13.88		15.81		

metabolite_name	Retention time
Pyruvic acid	6.599
Lactic acid	6.753
2-Hydroxyisobutyric acid	6.813
Glycolic acid	7.005
3-Methyl pyruvic acid	7.384
Alanine	7.403
2-Ketovaline	7.49
2-Hydroxybutyric acid	7.749
P-Cresol	8.203
Leucine	8.233
3-Hydroxybutyric acid	8.258
2-Hydroxyvaleric acid	8.307
N-Methylalanine/2-Aminobutanoic acid	8.438
2-Ketoleucine/ketoisoleucine	9.032
Valine	9.073
Urea	9.526
Caprylic acid	9.808
Ethanolamine	9.816
Phosphoric acid	9.877
Glycerol	9.885
Isoleucine/Leucine	10.18
Proline	10.264
Glycine	10.374
Succinic acid	10.478
Maleic acid	10.551
Glyceric acid	10.663
Uracil	10.798
Fumaric acid	10.977
Serine	11.079
Pelargonic acid	11.145
Threonine	11.419
beta-Alanine	12.012
Capric acid	12.419
Aminomalonic acid	12.532
Malic acid	12.744
Threitol/Erythritol	12.971
Aspartic acid	13.154
3-Methyloxyindole	13.16
Methionine	13.168
Hydroxyprolines	13.236
Erythronic acid	13.408
Threonic acid	13.607
Oxoglutaric acid	13.83
Glutamic acid	14.362
3-Hydroxymethylglutaricacid	14.362
Phenylalanine	14.479
Lauric acid	14.79
Aldopentoses	14.806
Pyrophosphate	14.801
Asparagine	14.932
Pentitols	15.471
6-Deoxyhexose	15.547
sn-Glycero-3-phosphate	15.932
Gentisic acid	15.945
Pentonic acids	15.953
Glutamine	16.104
Phosphoethanolamine	16.191
3-Phosphoglyceric acid	16.416
Shikimic acid	16.417
Hippuric acid	16.457
3-Methylhistidine	16.467
Hypoxanthine	16.482
Citric acid/isocitric acid	16.569
Ornithine	16.575
Arginine/Citrulline	16.655
1,5-Anhydrosorbitol	16.931
Myristic acid	16.948
Quinic acid	16.975
Caffeine	17.026
Fructose or similar ketohexose	17.178
Dehydroascorbic acid	17.189
Hexose	17.359
Histidine	17.642
Lysine	17.671
Methyl palmitate	17.769
Tyrosine	17.845
Gluconic acid	17.985
Indoleacetic acid	18.106
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	18.239
5-Hydroxylysine	18.531
Palmitoleic acid	18.727
Palmitic acid	18.923
3-Indolepropionic acid	19.277
Myo-inositol	19.297
Uric acid	19.363
Methyl linoleate	19.414
Methyl oleate	19.473
Methyl stearate	19.706
Heptadecanoic acid/Octadecanol	19.847
3-Indolelactic acid	20.084
1-Methyltryptophan	20.095
Linoleic acid	20.457
Tryptophan	20.465
Oleic acid	20.508
Cystine	21.133
Hexose 6-phosphate	21.303
Arachidonic acid	21.817
Arachidic acid/ 1-Heneicosanol	22.408
5-Methoxytryptamine/Serotonin	22.539
MG 0:0/16:0/0:0	23.267
Docosahexaenoic acid	23.343
Cellobiose or similar disaccharide	24.624
MG 0:0/18:0/0:0	24.711
MG 18:1(9Z)/0:0/0:0	24.798
Maltose or similar disaccharide	24.825
gamma-Tocopherol	26.521
AMP	26.889
alpha-Tocopherol	27.466
Cholesterol	27.612
Campesterol	28.313
Sitosterol	28.945