ppm1	ppm2	Metabolite	score
0.9975	31.8443	L-valine	0.57
0.9975	20.612	L-valine	0.57
1.0462	63.1097	L-valine	0.57
1.0454	31.8443	L-valine	0.57
1.0454	19.454	L-valine	0.57
3.619	177.1029	L-valine	0.57
3.619	19.5355	L-valine	0.57
3.619	31.7987	L-valine	0.57
3.658	74.853	Glycerol	0.33
1.4865	53.2396	L-alanine	0.75
1.4864	178.8022	L-alanine	0.75
3.7912	19.0064	L-alanine	0.75
3.41	63.2018	D-Glucose	0.36
3.4086	78.5367	D-Glucose	0.36
3.4973	76.8375	D-Glucose	0.36
3.5453	75.5793	D-Glucose	0.36
3.7256	72.2932	D-Glucose	0.36
3.7214	73.9362	D-Glucose	0.36
3.7446	78.4272	D-Glucose	0.36
3.8341	71.9646	D-Glucose	0.36
5.2443	75.3522	D-Glucose	0.36
2.437	72.979	carnitine	0.64
2.437	66.884	carnitine	0.64
3.234	73.033	carnitine	0.64
3.434	56.947	carnitine	0.64
3.434	66.868	carnitine	0.64
4.571	45.799	carnitine	0.64
4.572	72.95	carnitine	0.64
3.41	63.2018	D-Glucose	0.36
3.4086	78.5367	D-Glucose	0.36
3.4973	76.8375	D-Glucose	0.36
3.5453	75.5793	D-Glucose	0.36
3.7256	72.2932	D-Glucose	0.36
3.7214	73.9362	D-Glucose	0.36
3.7446	78.4272	D-Glucose	0.36
3.8341	71.9646	D-Glucose	0.36
5.2443	75.3522	D-Glucose	0.36
0.9443	39.0608	Isoleucine	0.41
0.9431	27.3862	Isoleucine	0.41
1.0131	62.3008	Isoleucine	0.41
1.0124	38.7334	Isoleucine	0.41
1.0128	27.2771	Isoleucine	0.41
3.6796	17.4149	Isoleucine	0.41
3.6796	27.2431	Isoleucine	0.41
3.6796	38.7956	Isoleucine	0.41
3.6795	177.2002	Isoleucine	0.41
0.9069	42.6604	Butyric acid	0.38
2.1721	16.3309	Butyric acid	0.38
2.1721	22.6634	Butyric acid	0.38
1.7317	41.9356	Cadaverine	0.67
1.7224	25.1451	Cadaverine	0.67
3.0227	25.6132	Cadaverine	0.67
3.0227	29.096	Cadaverine	0.67
6.5238	177.4902	Fumaric acid	1
1.3375	68.918	L-Threonine	0.71
1.3375	63.3411	L-Threonine	0.71
3.5999	22.2276	L-Threonine	0.71
3.601	175.8079	L-Threonine	0.71
3.6011	68.7524	L-Threonine	0.71
2.0121	64.0847	L-Proline	0.52
2.0118	31.7788	L-Proline	0.52
2.0774	48.8731	L-Proline	0.52
2.0786	26.5822	L-Proline	0.52
2.0764	177.7637	L-Proline	0.52
3.3482	31.6679	L-Proline	0.52
3.3489	26.2332	L-Proline	0.52
3.4227	26.4422	L-Proline	0.52
3.4234	31.877	L-Proline	0.52
4.1421	177.7407	L-Proline	0.52
4.142	31.6162	L-Proline	0.52
3.208	120.0895	L-Histidine	0.41
3.2958	119.9833	L-Histidine	0.41
3.2934	133.7111	L-Histidine	0.41
4.0133	30.2323	L-Histidine	0.41
4.0208	133.0698	L-Histidine	0.41
4.0162	176.6782	L-Histidine	0.41
7.1541	138.3494	L-Histidine	0.41
3.967	173.358	Hippuric acid	0.7
3.967	179.778	Hippuric acid	0.7
7.556	136.202	Hippuric acid	0.7
7.643	130.002	Hippuric acid	0.7
7.836	129.968	Hippuric acid	0.7
7.834	173.399	Hippuric acid	0.7
7.836	135.05	Hippuric acid	0.7
2.8801	54.0553	L-asparagine	0.78
2.8795	177.2568	L-asparagine	0.78
2.9588	53.9465	L-asparagine	0.78
2.9596	176.1964	L-asparagine	0.78
2.9604	177.2568	L-asparagine	0.78
4.0136	37.3441	L-asparagine	0.78
4.0138	176.324	L-asparagine	0.78
3.3185	177.2984	L-Tryptophan	0.56
3.4878	110.3328	L-Tryptophan	0.56
3.4867	177.422	L-Tryptophan	0.56
4.0724	29.0374	L-Tryptophan	0.56
4.0632	177.422	L-Tryptophan	0.56
4.0621	110.3328	L-Tryptophan	0.56
7.2025	114.7667	L-Tryptophan	0.56
7.2048	129.3079	L-Tryptophan	0.56
7.2912	121.154	L-Tryptophan	0.56
7.2897	139.0247	L-Tryptophan	0.56
7.3342	29.163	L-Tryptophan	0.56
7.3341	110.2141	L-Tryptophan	0.56
7.3302	129.3759	L-Tryptophan	0.56
7.3333	139.1606	L-Tryptophan	0.56
7.5498	122.0373	L-Tryptophan	0.56
7.5498	129.3759	L-Tryptophan	0.56
7.7403	124.7553	L-Tryptophan	0.56
7.7403	110.2141	L-Tryptophan	0.56
7.7395	129.3079	L-Tryptophan	0.56
7.7395	139.1606	L-Tryptophan	0.56
2.693	54.928	L-Aspartic acid	0.67
2.817	177.087	L-Aspartic acid	0.67
2.817	180.405	L-Aspartic acid	0.67
3.905	177.135	L-Aspartic acid	0.67
3.906	39.415	L-Aspartic acid	0.67
3.905	180.436	L-Aspartic acid	0.67
3.2093	70.2754	Choline chloride	0.5
4.0684	70.1334	Choline chloride	0.5
3.2714	69.0499	glycine betaine	0.67
3.9074	172.0445	glycine betaine	0.67
1.3325	185.3304	L-Lactic acid (sodium salt)	0.5
1.3321	71.365	L-Lactic acid (sodium salt)	0.5
2.147	56.9062	L-glutamine	1
2.1472	176.985	L-glutamine	1
2.1472	180.549	L-glutamine	1
2.147	33.5561	L-glutamine	1
2.4585	180.549	L-glutamine	1
2.4595	29.2263	L-glutamine	1
2.4612	56.7516	L-glutamine	1
3.7841	29.0914	L-glutamine	1
3.7836	33.6316	L-glutamine	1
3.7825	177.069	L-glutamine	1