metabolite_name	sample1	sample2	sample3	sample4	sample5	sample6	sample7	sample8	sample9	sample10	sample11	sample12	sample13	sample14	sample15	sample16	sample17	sample18	sample19	sample20	sample21	sample22	sample23	sample24	sample25	sample26	sample27	sample28	sample29	sample30	sample31	sample32	sample33	sample34	sample35	sample36	sample37	sample38	sample39	sample40	sample41	sample42	sample43	sample44	sample45	sample46	sample47	sample48	sample49
Ammonia	85.55	52.22	68.3	173.92	65.42	173.7	86.37	70.64	59.14	150.31	128.85	107.38	48.19	170.48	48.35	9.17	26.65	106.95	32.38	86.17	41.22	1.24	13.34	19.34	17.1	26.51	12.99	19.23	46.97	30.93	49.35	24.66	36.88	38.58	40.95	45.07	54.34	31.53	27.85	41.56	27.19	34	41.91	38.91	26.46	44.3	42.07	43.45	43.81
Histidine	84.32	83.88	169.53	115.1	134.11	148.82	127.13	115.88	141	122.35	141.66	101.74	132.02	144.3	88.5	112.6	115.91	113.62	35.91	125.49	76.12	85.09	84.59	89.61	90.35	97.61	87.57	96.46	100.76	95.15	93.18	84.55	88.58	86.71	81.57	105.28	93.54	110.64	73.11	97.6	101.6	81.48	87.12	85.77	70.23	64.95	125.43	95.08	65.71
Hydroxyproline	11.26	15.75	11.25	20.62	15.2	27.71	11.61	32.33	13.67	23.63	20.05	39.42	9.51	20.27	14.52	15.31	17.72	32.44	762.63	35.94	12.26	8.99	13.09	13.89	8.16	28.66	11.43	16.64	19.52	14.61	7.65	25.37	15.2	36.91	13.38	15.66	13.6	18.51	9.3	11.35	15.08	13.71	10.37	12.34	16.5	32.33	17.59	18.46	13.4
X1.Methylhistidine.	2.49	11.66	31.93	12.15	14.04	0	22.6	0	43.67	0	28.39	0	7.66	22.3	20.61	53.25	3.86	0.96	0	25.77	2.67	24.53	2.51	14.63	4.5	20.45	10.26	7.63	33.79	29.11	11.72	23.04	3.5	5.57	6.67	8.95	7.8	48.79	25.6	33.64	43.83	3.9	5.85	22.93	4.18	1.76	21.7	16.73	11.79
X3.Methylhistidine.	0	0.35	0	3.23	0.75	7.14	7.94	0.86	4.46	0	0.66	0	0	4.33	0.77	0	0	4.26	0	1.23	0	9.12	3.17	4.47	1.42	5.19	4.28	2.81	4.21	4.22	2.77	7.28	6.13	6.44	3.47	12.1	6.39	12.24	6.51	6.25	9.83	2.49	3.83	4.73	3.54	4.2	8.11	3.15	6.21
Asparagine	45.28	58.44	75.21	84.4	99.41	135.14	111.28	75.48	100.61	73.05	91.28	70.78	109.87	181.05	73.36	65.95	91.82	78.77	48.43	117.4	73.7	83.16	91.14	92.38	67.49	78.4	85.04	63.66	73.7	85.93	55.17	89.15	74.31	73.66	76.34	92.23	70.96	84.21	82.43	66.68	74.58	68.03	80.83	75.75	63.76	56.23	102.77	91.08	79.59
Phosphoethanolamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.54	0.16	0.7	0.35	0.87	1.35	0.95	0	1.03	0.97	0.23	0.98	0.79	0	4.07	0.99	0.58	1.54	0.12	1.01	0	1.02	0.65	0.55	0.45	0.99	1.59	0.56
Carnosine	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Arginine	92.13	55.2	64.94	96.95	51.94	92.28	82.63	67.49	88.44	100.55	67.99	80.44	60.72	98.13	61.72	48.17	74.35	70.85	48.85	92.83	70.31	69.6	50.69	67.15	62.02	64.44	72.53	43.75	71.31	87.96	48.2	86.53	76.26	80.13	86.84	145.26	70.46	74.46	93.84	90.72	63.94	71.14	63.65	52.81	89.37	58.31	138.15	104.9	95.43
Taurine	88.82	42.57	65.89	39.82	47.61	59.13	43.98	75.31	71.84	62.34	58.78	46.74	44.19	81.8	57.81	62.5	39.78	63.11	42.01	51.56	32.15	45.52	27.25	34.57	31.51	54.16	47.04	39.03	43.36	43.85	23.88	48.94	46.14	56.26	37.87	42.61	56.86	56.14	56.37	55.36	63.77	27.74	45.72	37.38	35.08	34.2	68.86	57.61	52.9
Anserine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.29	0	0	0	0	0	0	0	0	0	0	0	0	0
Serine	96.77	138.71	99.97	160.38	88.15	185.11	180.04	170.74	221.04	164.94	169.15	147.61	143.92	330.35	123.38	107.1	138.13	123.39	98.93	243.17	151.91	102.2	86.96	224.12	73.8	174.56	113.21	102.24	139.58	135.87	109.78	146.96	94.08	120.28	124.21	147.78	88.09	148.49	106.72	114.96	135.44	178.63	116.05	139.92	128.81	95.64	172.36	171.3	119.76
Glutamine	1527.06	1528.02	1870.34	2513.4	1879.21	2437.1	2502.77	2150.84	2541.33	1875.5	2583.27	2460.26	2005.55	3476.36	2061.58	1785.91	2543.56	2538.66	1099.56	2855.02	1337.04	1644.36	1657.66	1919.2	1602.03	1898.52	1866.87	1733.77	1852.1	2056.17	1713.53	2023.33	1973.79	2010.68	1980.36	2018.5	1909.44	2080.08	1926.95	2035.02	2021.97	1758.37	1595.77	2025.18	1760.09	1773.74	2328.44	2084.15	1954.31
Ethanolamine	14.86	8.65	16.27	13.09	11.63	24.15	16.57	14.05	18.48	19.89	17	16.6	10.46	28.67	12.07	8.24	11.28	17.39	11.39	17.22	8.22	11.61	8.32	7.68	8.83	11.92	14.36	9.41	10.67	13.15	8.67	11.9	15.79	14.22	13.44	14.54	13.51	13.5	15.04	13.09	12.94	9.12	10.91	10.58	12.85	11.84	17.62	17.2	12.27
Glycine	243.81	333.51	267.42	993.14	206.07	580.94	341.2	404.21	497.1	434.9	381.31	527.54	365.57	907.43	460.06	194.67	362.09	437.97	217.89	638.02	319.89	757.95	165.62	NA	132.81	539.8	410.23	174.64	384.96	420.72	199.77	444.72	333.13	457.47	483.53	401.74	264.52	312.85	266.57	NA	448.84	391.07	292.39	636.32	284.61	262.84	547.05	501.2	342.28
Aspartic.Acid	7.76	6.93	6.91	6.72	6.14	7.11	8.49	7.12	5.87	7.46	5.92	7.92	6.45	8.02	5.94	6.74	6.32	5.94	7.87	6.52	6.36	1.15	0.36	1.68	0.28	0.76	0	0.52	1.72	0	0.6	2.32	0.05	2.15	0.67	2.78	1.79	1.01	0.56	1.18	0.97	2.07	0.37	0.37	3.51	0.85	1.71	0	0.69
Sarcosine	1.01	2.19	1.17	2.16	1.01	1.89	1.22	1.53	1.86	2.05	1.83	1.14	1.5	3.07	1.56	1.62	1.53	2.32	4.22	3.86	2.85	2.94	0.77	1.51	0.59	2.01	1.06	0.77	1.37	1.39	0.86	1.35	1.33	1.72	1.46	2.41	2.07	1.56	1.81	1.2	2.06	1.33	0.97	1.72	1.37	1.79	1.61	1.18	1.3
Citrulline	45.71	39.76	27.9	61.25	22.89	52.56	41.02	32.67	38.88	30.73	32.71	81.77	35.84	35.26	30.95	57.06	54.61	22.48	127.79	70.63	73.74	66.74	22.72	26.03	24.8	30.69	32.44	21.91	34.22	35.79	20.54	47.37	33.33	41.57	30.12	36.72	30.44	58.05	37.85	39.33	37.56	26.73	28.29	17.01	36.19	29.01	52.14	30.16	36.3
Glutamic.Acid	25.5	26.97	15.94	24.57	18.44	32.92	37.03	20.92	23.65	27.95	34.54	22.27	24.97	22.91	10.8	15.14	33.34	29.17	4.69	8.45	9.12	18.11	12.94	19.96	17.2	18.54	7.44	10.62	33.34	9.45	20.08	24.18	22.87	26.46	23.85	41.33	34.15	37.09	32.26	34.95	31.19	25.84	22.09	17.41	25.92	23.92	38.66	11.74	40.31
beta.Alanine.	5.39	6.25	8.27	11.64	3.45	6.65	7.16	5.13	7.58	6.66	7.67	7.34	2.91	7.22	5.82	6.19	3.65	9.61	3.04	1.2	0	2.66	2.88	3.23	2.94	6.32	5.29	2.77	10.99	5.96	7.79	5.38	5.9	6.98	5.77	7.78	7.58	7.37	6.85	5.32	7.17	5.58	4.19	7.71	5.53	11.44	8.61	5.55	6.1
Threonine	93.99	139.96	160.76	161.54	141.07	122.61	183.95	155.68	171.55	109.88	158.17	98.38	261.62	255.59	95.99	155.62	167.17	146.25	124.11	195.99	171.99	116.66	220.93	203.3	191.4	156.34	154.28	164.51	184.8	152.17	98.26	174.12	115.1	166.19	104.57	173.85	129.56	150.11	123.56	103.46	144.21	144.32	161.56	175.1	163.29	148.36	285.2	144.87	165.71
Alanine	221.5	169.11	493.09	471.74	288.69	231.98	275.89	351.63	244.79	355.39	173.43	404.22	350.36	689.65	237.64	165.8	247.84	699.46	483.32	216.31	260.71	334.61	224.17	342.65	320.7	320.86	374.07	235.19	376.13	272.44	163.77	383.03	369.27	614.55	288.46	366.21	529.36	225.99	341.06	438.92	390.76	233.9	269.35	549.95	258.36	266.81	425.75	247.18	463.7
beta.Aminoisobutyric.acid	0	0	0	0	0	0	0	0	0	0.01	0	0	0	0.23	0	0	0	0	0.25	0	0	0.9	0.35	0.31	0.26	0.37	0.29	0.25	0.52	0.26	0.31	0.31	0.35	0.35	0.27	1.87	0.72	0.5	0.46	0.45	0.34	0.28	0.33	0.32	0.23	0.32	0.34	0.23	0.22
alpha.Aminoadipic.acid	0.38	1.45	1.36	1.37	0.7	1.72	1.43	0.77	0.96	0.94	0.77	0.3	0.81	1.73	1.17	1.15	0.9	1.04	0.44	0.8	1	1.43	0.77	1.15	0.6	1.37	0.47	0.65	1.45	0.65	0.65	1.16	0.83	1.07	0.59	3.3	1.74	1.27	1.41	1.02	1.33	0.66	1.03	0.75	0.97	1.37	1.26	0.66	0.99
Proline	63.65	61.5	53.03	87.35	66.7	87.36	72.64	115.68	105.54	120.76	99.56	97.07	82.32	194.11	79.19	73.87	87.51	160.99	193.53	102.33	118.02	255.92	128.88	295.09	149.76	180.97	174.41	128.41	202.52	155.79	70.09	263.14	304.21	262.08	193.09	221.29	352.04	183.99	158	189.93	204.85	406.23	123.3	202.44	169.74	249.54	245.95	256.17	177.44
gamma.Amino.N.butyric.acid	0.01	0.44	0	0.25	0.62	0.49	0.19	0.52	0.34	0.43	0.92	0	0.01	0.36	0.05	0.83	0.95	0.74	0.07	0.26	0	1.5	1.8	1.71	0.57	2.86	1.25	1.47	1.06	1.45	1.14	1.87	1.08	0.76	1.39	2.67	2.01	2.78	2.66	1.44	1.25	2.39	1.6	1.13	2.34	2.12	1.45	1.41	1.27
Hydroxylysine.1	1.03	1.02	1.02	0	0	0	0	1.03	1.01	1.04	0	1.38	0.98	1.92	1.52	1.1	1.11	1.05	1	0.99	0	0.97	0	0	0	0	0	0	0	0	0	0	0	0	0	6.5	0	0	0	0	0	0	0	0	0	0	0	0	0
Hydroxylysine.2	0.16	0.18	0.11	0.23	0.18	0.23	0.14	0.26	0.15	0.13	0.22	0.41	0.14	1.27	0.82	0.3	0.27	0.17	0.78	0.93	0.31	6.09	0.71	0.58	0.39	1.02	0.23	0.35	0.58	0.37	0.27	0.44	0.25	0.55	0.28	12.32	1.52	0.9	0.71	0.59	0.45	0.48	0.28	0.35	0.21	1.06	0.44	0.39	0.26
alpha.Amino.N.butyric.acid	17.14	27.59	24.77	28.03	14.07	50.78	26.59	22.06	27.16	21.86	21.89	13.18	16.22	32.61	13.36	37.14	22.62	22.31	38.79	25.07	14.78	16.67	18.78	22.25	15.34	21.35	21.54	21.2	18.51	28.4	17.81	31.48	24.76	23.61	18.99	35.47	21.98	54.57	19.04	31.29	37.26	29.4	14.69	23.05	23.35	27.98	42.41	18.63	19.59
Ornithine	43.57	40.08	33.31	46.44	37.87	60.21	56.49	65.68	59.67	45.31	45.14	43.69	48.44	73.78	37.58	14.32	68.74	64.46	64.39	61.79	37.24	55.77	32.15	66.18	36.49	64.43	66.74	30.37	70.8	62.2	34.43	60.61	59.39	71.37	54.93	78.91	72.79	60.96	61.43	61.75	87.21	85.7	46.03	57.71	57.63	63.63	93.69	68.93	44.55
Cystathionine.1	0.71	0.66	0.92	0	0.88	0	1.71	0.65	1.13	0.67	1.07	0	0.99	2.49	1.29	0.68	1.15	1.16	0.46	0.58	0.92	4.17	0.51	0.61	0.18	0.28	0.05	0	0.38	0	0.06	0.2	0.13	0.17	0.08	10.7	1.45	1.04	0.48	0.1	0.78	0.14	0.13	0.2	0.07	0.26	0.06	0	0.06
Cystathionine.2	0.28	0	0	0	0.21	0	0	0	0	0	0	0	0	1.77	0.9	0.34	0.28	0.42	0.14	0	0	4.49	0.36	0	0	0	0	0	0	0	0	0	0	0	0	12.91	1.08	0.2	0.03	0.01	0	0	0	0	0	0	0	0	0
Lysine	114.5	150.43	191.1	203.62	159.34	262.14	189.82	172.47	196.57	170.71	137.55	143.75	141.26	214.5	135.74	71.49	149.59	143.22	204.04	168.98	95.6	121.71	163.3	225.75	173.46	197.55	173.58	153.06	205.53	164.34	115.36	175.55	189.06	229.19	194.25	303.47	226	169.57	203.22	259.43	238.9	249.92	166.46	218.94	223.76	191.55	326.72	198.3	198.3
Cystine	33.62	53.24	43.28	50.86	54.6	51.86	43.12	56.93	51.02	38.27	35.33	31.45	42.6	42.91	47.28	56.71	49.53	54.35	42.83	32.47	73.17	65.85	83.96	85.54	67.8	98	78.94	97.98	72.09	69.64	64.68	83.27	86.3	80.76	71.99	113.8	92.2	139.59	113.8	96.43	138.9	95.23	95.41	85.77	88.12	70.52	108.79	71.08	103.43
Tyrosine	58.83	52.42	66.53	56.19	44.37	68.82	72.53	55.1	74.07	73.11	51.83	56.9	59.84	92.73	55.39	33.71	63.11	72.13	79.57	67.83	57.33	77.94	40.05	93.97	52.8	75.34	52.25	45.94	47.64	61.19	27.54	65.49	66.46	62.43	53.41	66.79	74.59	68.38	71.97	58.99	70.25	92.25	50.52	55.37	63.94	61.37	98.62	56.9	66.28
Methionine	24.96	28.08	35.77	28.4	21.74	23.13	32.52	23.4	28.15	28.25	27.94	23.28	24.25	43.09	23.52	28.86	26.89	25.65	31.23	29.09	30.89	26.67	16.09	33.01	18.36	25.67	20.11	14.09	16.49	27.16	9.19	30.69	23.43	27.97	19.29	27.47	22.41	22.31	20.56	16.48	19.03	26.15	20.19	18.69	19.53	19.24	35.83	23.08	22.59
Valine	168.54	355.14	352.59	233.06	192.65	324.81	271.77	181.2	302.17	267.36	278.41	188.85	172.8	302.15	202.42	477.33	224.67	258.97	280.48	209.25	288.13	239.29	169.56	315.19	223.67	372.72	181.93	205.13	238.32	248.68	153.84	345.68	259.9	295.16	237.75	282.83	346.52	287.18	286.22	306.27	306.33	285.87	208.52	289.06	253.61	246.93	304.55	246.61	281.03
Isoleucine	33.31	89.21	99.77	82.62	53.77	105.1	114.76	67.43	112.58	90.03	63.79	71.27	45.4	108.73	59.71	196.09	69.27	93.58	116.51	74.5	75.29	80.72	63.62	110.71	66.28	117.37	64.64	56.46	76.36	113.13	50.63	131.98	80.56	114.77	88.91	101.46	107.13	76.15	84.81	92.19	85.4	124.14	68.91	107.64	88.8	88.19	109.9	103.59	102.87
allo.Isoleucine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Leucine	67.95	173.46	196.08	129.74	108.26	229.45	185.53	122.19	188.27	186.92	137.77	112.55	92.43	195.17	104.75	305.31	137.73	160.69	180.56	141.98	142.83	130.95	94.21	159	101.27	167.68	89.69	87.6	109.86	139.68	77.94	189.69	138.68	185.46	132.38	157.67	180.86	136.5	154.31	145.64	128.61	179.21	101.49	144.18	150.07	126.99	176.16	143.08	147.51
Homocystine	2.61	4.16	4.54	4.04	4.4	3.76	3.5	4.22	4.07	4.55	4.22	4.15	3.67	3.3	1.96	3.63	4.52	4.56	4.05	3.86	3.43	7.81	0.46	0.12	0	0.06	0	0	0	0	0	0	0	0	0	19.93	1.76	0.6	0.21	0.08	0	0.04	0	0.02	0	0.02	0	0	0
Phenylalanine	46.57	46.83	63.31	63.01	55.51	67.41	70.72	44.52	60.48	62.95	59.81	57.72	58.22	67.26	56.4	57.96	56.99	62.02	72.67	57.37	50.56	69.09	48.23	70.44	50.71	66.24	55.36	43.38	51.13	55.66	44.43	65.74	58.75	80.4	55.11	63.17	65.29	66.91	70.58	61.02	60.02	64.93	48.09	46.83	54.39	49.31	80.03	47.5	74.1
Tryptophan	41.07	45.88	70.9	61.13	54.31	78.16	86.71	67.29	66.82	90.74	72.54	57.38	54.28	73.42	53.65	61.95	60.6	84.57	64.74	66.52	56.75	54.26	52.53	80.01	70.71	89.74	50.09	65.09	68.53	66.73	50.86	85.49	79.28	115.86	73.95	68.95	100.02	83.13	75.53	89.33	63.63	72.7	52.75	52.71	63.75	86.86	94.5	69.63	79.99
GLN	1527.06	1528.02	1870.34	2513.4	1879.21	2437.1	2502.77	2150.84	2541.33	1875.5	2583.27	2460.26	2005.55	3476.36	2061.58	1785.91	2543.56	2538.66	1099.56	2855.02	1337.04	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA

metabolite_name
Ammonia
Histidine
Hydroxyproline
X1.Methylhistidine.
X3.Methylhistidine.
Asparagine
Phosphoethanolamine
Carnosine
Arginine
Taurine
Anserine
Serine
Glutamine
Ethanolamine
Glycine
Aspartic.Acid
Sarcosine
Citrulline
Glutamic.Acid
beta.Alanine.
Threonine
Alanine
beta.Aminoisobutyric.acid
alpha.Aminoadipic.acid
Proline
gamma.Amino.N.butyric.acid
Hydroxylysine.1
Hydroxylysine.2
alpha.Amino.N.butyric.acid
Ornithine
Cystathionine.1
Cystathionine.2
Lysine
Cystine
Tyrosine
Methionine
Valine
Isoleucine
allo.Isoleucine
Leucine
Homocystine
Phenylalanine
Tryptophan
GLN