metabolite_name	ms5475-1	ms5475-2	ms5475-3	ms5475-4	ms5475-5	ms5475-6	ms5475-7	ms5475-8	ms5475-9	ms5475-10	ms5475-11	ms5475-12	ms5475-13	ms5475-14	ms5475-15	ms5475-16	ms5475-17	ms5475-18	ms5475-19	ms5475-20	ms5475-21	ms5475-22	ms5475-23	ms5475-24	ms5475-25	ms5475-26	ms5475-27	ms5475-28	ms5475-29	ms5475-30	ms5475-31	ms5475-32	ms5475-33	ms5475-34	ms5475-35	ms5475-36	ms5475-37	ms5475-38	ms5475-39	ms5475-40	ms5475-41	ms5475-42	ms5475-43	ms5475-44	ms5475-45	ms5475-46
Histidine	135.2	120.7	181.3	137.4	99.5	127.8	152.3	127.9	120.1	150.0	100.0	118.0	137.7	114.3	118.8	90.6	127.8	165.4	75.3	85.4	100.6	95.7	72.6	61.8	101.6	85.6	99.7	97.6	70.5	69.1	100.4	108.6	106.6	130.2	141.3	84.7	114.5	117.5	78.2	135.2	85.6	70.0	75.5	75.6	101.2	103.2
1-Methylhistidine'	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	0.0	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
3-Methylhistidine'	0.7	1.0	3.3	0.5	2.0	1.2	3.6	2.7	8.1	9.9	0.5	10.5	0.0	1.7	2.5	2.1	1.3	0.0	0.5	0.0	2.4	1.4	0.6	3.7	5.1	3.4	1.2	4.1	4.3	1.9	4.1	0.9	1.8	1.8	3.3	0.7	7.9	0.8	4.9	0.6	0.7	6.4	2.3	0.0	2.3	1.1
Asparagine	35.4	65.4	52.6	87.4	68.7	89.7	88.7	100.4	149.6	137.3	94.4	115.7	126.8	95.7	129.5	70.2	142.5	186.0	74.5	73.9	101.3	79.4	70.6	61.4	56.1	57.9	57.2	57.7	69.6	46.0	109.3	136.3	146.6	162.7	131.7	115.2	129.7	151.8	76.8	148.4	66.7	57.4	60.3	69.7	82.0	78.1
Phosphoethanolamine	8.5	9.0	8.8	7.3	9.0	8.6	12.3	25.2	36.1	30.8	24.6	28.8	37.2	11.7	27.7	21.0	17.4	34.1	5.9	8.1	5.6	6.1	9.9	7.7	7.1	7.4	11.6	13.0	9.2	8.3	24.8	53.5	29.9	35.0	39.0	17.8	22.3	12.1	16.1	18.5	19.5	7.6	8.1	8.0	8.4	8.1
Arginine	344.6	238.5	352.8	132.4	285.1	128.9	101.7	289.0	194.9	201.0	271.1	178.6	185.6	172.9	203.1	238.8	131.4	124.2	139.9	129.1	148.7	149.3	163.9	254.4	198.1	239.3	269.1	286.4	180.5	259.3	284.4	266.8	168.3	325.3	294.6	241.8	139.3	146.6	153.4	116.8	168.3	72.1	68.6	150.6	140.9	108.8
Carnosine	1144.2	1741.7	1246.3	1237.6	1488.1	1470.5	1363.3	337.9	352.7	287.8	304.5	252.1	212.8	829.2	770.7	649.7	816.7	651.9	1239.3	1607.1	919.9	1150.9	1450.0	1219.6	1177.9	897.9	893.6	901.4	1030.0	1490.8	308.7	210.6	328.0	320.5	226.0	367.2	662.4	946.6	682.5	751.9	791.7	1038.7	1098.6	1187.6	1077.4	1132.4
Anserine	1376.4	2014.4	1366.0	1471.6	1207.5	1207.5	1088.2	236.9	306.7	208.1	256.1	170.5	113.5	691.0	657.0	412.1	717.0	551.8	1944.5	2342.9	1788.4	1735.7	2071.1	1146.2	1043.2	1047.9	1047.1	975.6	961.5	1105.0	175.7	136.8	179.3	226.7	189.0	224.1	562.7	805.6	412.6	595.4	744.7	1839.6	1895.0	1615.7	1865.7	1891.5
Ethanolamine	18.9	21.6	18.8	30.8	26.9	36.5	39.2	25.0	26.8	31.1	25.6	26.2	26.5	42.0	26.1	26.8	32.1	32.3	20.7	35.0	38.1	27.0	42.9	23.3	18.0	18.3	21.9	24.1	30.9	25.2	23.0	27.6	28.0	25.0	22.3	16.8	41.0	40.1	28.4	33.4	16.3	25.6	22.9	30.3	34.1	31.5
Aspartic Acid	152.4	187.9	185.5	163.1	151.3	126.0	185.7	243.2	372.9	368.8	228.3	536.5	423.3	167.4	199.1	178.5	136.5	229.7	174.9	194.9	226.5	207.6	219.5	135.5	172.7	150.1	125.4	179.8	145.5	103.2	234.6	337.3	321.4	313.8	328.7	204.9	171.1	137.2	104.1	140.7	179.7	200.2	229.2	200.0	272.0	252.9
Sarcosine	4.4	6.8	5.5	2.2	6.3	2.9	4.8	3.0	4.4	3.9	3.0	5.9	2.0	2.9	8.5	4.9	4.5	4.6	1.2	0.8	0.1	1.3	1.5	5.3	6.8	2.2	4.1	5.4	3.2	6.4	6.0	3.2	3.8	3.9	5.3	4.6	2.7	3.0	4.3	4.2	11.6	0.4	0.6	0.7	0.4	0.2
Citrulline	119.8	172.5	198.8	175.5	145.4	167.9	222.3	122.2	167.8	198.0	151.7	164.4	113.3	146.2	187.2	132.9	226.0	225.9	197.0	145.0	183.6	147.5	120.0	175.5	180.3	173.6	162.4	176.7	153.6	207.1	237.8	153.8	182.5	204.3	169.9	173.6	158.6	187.7	152.5	150.1	235.1	113.0	132.9	136.9	149.8	130.0
Glutamic Acid	523.1	504.1	356.1	461.2	445.1	297.4	555.9	1394.7	1577.2	1605.5	1216.9	1906.2	1459.8	451.6	850.0	511.9	590.8	910.6	260.0	170.6	179.2	290.0	109.9	415.2	518.9	289.9	450.1	487.7	291.7	209.2	1304.9	1396.6	1383.0	1578.1	1783.9	1104.4	746.6	612.3	387.5	569.9	933.6	204.7	233.2	390.8	377.9	490.0
beta-alanine	8.7	14.2	11.0	4.9	12.2	5.8	9.6	6.3	8.8	8.4	6.7	14.0	4.1	6.1	15.9	8.7	8.5	9.2	2.7	2.2	0.7	2.8	3.3	10.1	14.5	4.8	7.8	10.9	7.0	12.9	12.0	6.4	8.2	8.7	10.5	9.2	5.7	6.3	8.5	7.8	22.8	1.1	1.3	1.6	1.1	0.9
Threonine	167.2	293.2	218.3	139.0	217.5	143.1	154.9	300.2	363.1	341.1	273.5	272.0	257.5	185.2	322.7	231.8	181.5	258.3	352.0	296.1	362.6	284.3	199.2	189.2	221.1	199.5	180.3	212.0	219.1	179.2	301.1	315.8	329.6	471.3	410.9	325.9	196.6	235.2	196.1	197.1	283.8	213.2	181.0	281.6	261.8	245.8
gamma-Amino-N-butyric-acid	0.4	0.8	1.2	1.8	0.9	2.5	4.5	11.5	6.5	5.7	4.6	7.4	7.0	2.7	1.7	1.9	5.7	5.2	1.1	0.7	0.6	0.0	1.5	1.2	0.9	1.2	1.6	0.7	0.7	0.6	8.2	8.7	6.7	7.5	8.1	5.2	4.7	5.0	1.3	5.5	2.2	1.0	1.3	0.3	0.1	0.9
alpha-Aminoadipic-acid	5.0	2.5	2.8	1.3	4.5	1.5	2.8	13.3	9.0	10.4	7.4	10.4	9.5	2.5	6.6	5.9	4.5	5.6	2.3	1.9	2.6	2.5	2.8	3.7	2.4	2.3	2.8	3.1	2.3	2.1	8.4	9.8	9.8	15.5	9.3	10.7	4.1	3.1	2.8	3.3	7.6	2.4	3.8	2.8	3.0	2.5
beta-Aminoisobutyric-acid	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.2	0.0	0.0	0.1	0.1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.4	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.1	0.0	0.0	0.2	0.1	0.1	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
Proline	0.4	0.8	1.2	1.8	0.9	2.5	4.5	11.5	6.5	5.7	4.6	7.4	7.0	2.7	1.7	1.9	5.7	5.2	1.1	0.7	0.6	0.0	1.5	1.2	0.9	1.2	1.6	0.7	0.7	0.6	8.2	8.7	6.7	7.5	8.1	5.2	4.7	5.0	1.3	5.5	2.2	1.0	1.3	0.3	0.1	0.9
Hydroxylysine 1	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	0.0	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
Hydroxylysine 2	0.5	0.2	0.2	0.1	0.3	0.1	0.0	0.1	0.0	0.1	0.2	0.2	0.2	0.0	0.1	0.0	0.0	0.2	0.0	0.0	0.0	0.0	0.0	0.1	0.0	0.1	0.1	0.0	0.0	0.3	0.0	0.0	0.0	0.2	0.1	0.2	0.0	0.0	0.0	0.0	0.1	0.0	0.0	0.0	0.0	0.0
alpha-Amino-N-butyric-acid	3.1	2.1	2.3	1.6	3.3	3.0	3.5	2.6	1.9	3.2	1.7	7.0	3.2	3.6	4.2	4.0	4.4	4.7	45.9	41.2	48.2	2.5	4.5	2.2	3.7	0.7	1.9	1.6	4.2	2.6	3.0	4.4	4.3	2.7	2.4	2.0	2.4	2.9	3.8	2.1	2.6	9.9	7.6	3.7	8.0	5.6
Ornithine	43.6	47.9	28.3	45.0	46.7	45.4	37.7	80.3	74.8	65.3	71.5	62.2	52.2	40.5	35.4	43.8	42.9	40.1	28.2	23.9	20.6	37.1	30.1	35.6	28.7	30.5	22.0	31.3	26.2	34.7	62.3	53.5	62.8	91.0	69.0	91.1	45.5	58.1	33.8	43.8	38.5	15.3	12.8	22.8	22.7	22.8
Cystathionine 1	2.5	3.8	2.3	2.1	3.7	2.3	0.5	2.5	0.9	1.3	0.4	0.9	0.7	1.0	2.0	3.6	0.9	0.2	2.0	0.4	2.7	2.1	1.6	2.5	9.3	3.0	1.9	0.7	2.2	3.6	1.8	1.4	0.7	1.7	1.8	1.2	1.5	0.5	0.9	0.6	3.0	2.2	0.4	1.0	0.6	0.0
Cystathionine 2	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	0.0	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
Lysine	848.8	604.1	653.5	481.2	879.2	488.2	283.8	985.2	806.9	634.7	751.0	655.7	495.7	557.5	480.2	762.8	315.0	306.5	890.0	517.7	619.0	978.5	697.1	796.6	783.4	641.2	634.8	737.8	714.2	733.4	652.5	511.9	535.0	994.0	696.3	922.0	462.9	428.3	500.5	346.8	476.5	401.0	375.4	786.6	669.6	509.2
Cystine	3.4	2.4	4.9	2.4	6.8	4.3	4.5	7.3	9.2	10.0	7.3	7.3	7.7	6.0	13.5	8.1	7.2	9.6	2.9	3.3	4.6	5.0	5.9	3.3	3.0	3.2	3.5	3.5	5.2	2.8	6.3	9.3	8.7	9.2	5.9	7.4	7.9	7.4	5.1	6.7	6.6	2.4	3.0	3.6	3.1	3.0
Tyrosine	79.0	139.0	82.3	120.5	91.8	117.0	95.6	98.3	129.0	107.2	87.6	82.2	61.3	92.1	124.7	89.5	102.2	106.5	75.0	86.1	79.8	62.6	81.0	63.1	69.7	81.5	72.5	61.7	89.8	71.8	76.1	89.0	79.5	115.7	86.2	88.8	122.3	136.6	83.7	119.5	96.8	51.3	48.5	53.4	63.7	64.5
Methionine	57.8	97.1	48.1	65.6	73.8	52.8	43.1	60.8	90.5	72.5	63.1	58.0	54.0	46.3	107.6	70.6	47.0	61.7	52.5	59.0	67.4	57.8	54.2	61.3	53.7	66.2	56.2	52.7	65.5	60.2	60.9	72.1	66.8	101.1	71.9	80.4	68.6	95.2	64.0	70.7	70.4	47.6	45.0	50.9	50.3	53.2
Valine	94.4	144.6	120.1	112.9	137.2	110.7	114.5	124.8	137.7	158.7	114.7	156.5	133.1	104.1	166.3	116.1	125.0	168.2	175.0	151.2	169.1	152.0	148.7	112.5	119.1	126.9	115.5	120.6	139.0	100.8	126.3	157.8	184.6	191.5	139.2	124.0	137.8	163.3	95.2	119.6	125.4	122.7	106.8	108.9	143.7	161.2
Isoleucine	37.6	51.4	47.6	39.4	53.2	39.9	44.3	57.6	72.9	73.9	61.0	75.5	63.1	40.7	83.0	39.4	56.9	84.4	68.4	68.1	69.6	62.4	62.6	48.8	57.5	59.5	51.5	57.0	61.8	36.3	72.6	96.9	102.5	98.4	72.5	58.2	57.1	71.2	39.5	53.0	65.6	60.9	58.0	52.2	57.6	57.1
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	0.0	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
Homocystine	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	0.0	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	79.4	111.7	86.3	76.2	105.8	77.6	83.7	116.2	165.3	142.8	124.3	148.6	126.3	75.7	175.4	84.3	109.3	151.7	124.0	132.0	144.3	115.8	142.6	103.1	104.7	111.1	97.9	116.8	120.4	71.5	151.0	206.5	202.9	215.0	150.4	132.2	113.4	144.4	84.3	112.7	129.9	116.0	108.2	102.0	139.5	148.4
Phenylalanine	56.5	85.7	56.7	73.8	67.5	67.2	73.6	68.9	96.5	86.5	73.0	80.3	66.9	61.8	95.2	60.0	78.9	91.1	60.8	75.8	63.0	65.9	75.4	65.4	59.4	66.2	63.8	75.1	74.7	60.4	83.1	105.8	101.0	121.4	84.9	77.5	99.5	130.0	63.6	94.1	82.7	67.6	61.8	72.5	83.2	83.6
Tryptophan	17.3	21.3	16.6	18.7	17.2	16.1	16.9	27.1	31.7	27.4	27.2	22.6	22.8	15.9	22.3	16.6	23.3	28.0	20.6	28.5	24.7	16.0	20.8	17.3	19.6	21.2	18.1	17.0	21.7	19.4	20.4	25.4	24.2	34.6	31.4	21.4	25.7	25.9	15.9	21.9	22.6	17.7	17.2	19.7	19.8	19.5
Hydroxyproline	311.2	338.6	386.7	283.7	428.6	205.5	415.3	252.8	311.8	331.4	238.4	298.1	274.6	291.7	585.0	483.5	239.1	254.6	317.5	140.4	174.5	232.5	140.4	462.7	391.0	262.3	255.6	266.2	240.0	480.4	273.5	282.7	317.9	313.8	317.8	258.7	315.9	283.4	303.9	192.6	482.3	120.1	96.0	133.8	121.8	93.1
Taurine	12452.2	13072.8	14388.2	13443.5	12765.0	13020.5	14200.4	11874.6	12173.7	11917.3	10912.9	11950.6	10728.0	12711.6	11543.5	13777.0	11444.4	10315.3	11785.3	12510.7	14179.6	14589.4	12843.1	12467.4	12590.9	13230.1	12324.7	12587.0	13153.2	12548.0	9955.7	9305.1	10286.1	11397.5	10242.8	9457.5	11083.3	12058.4	11387.9	9600.9	10931.5	12001.3	11822.8	11574.6	11838.3	12046.9
Serine	160.4	287.0	296.1	292.2	291.6	315.2	344.8	414.1	559.8	549.4	419.7	435.1	474.6	291.3	448.2	314.8	446.9	541.3	302.7	276.1	328.4	316.1	263.5	278.9	243.8	238.6	232.6	256.9	257.6	237.2	528.9	630.9	656.6	623.3	737.4	482.6	331.8	444.5	284.1	453.9	337.1	243.9	201.9	248.3	257.3	265.5
Glutamine	1063.2	1100.0	1293.9	1253.8	1180.1	1235.6	1526.6	1936.5	2069.7	2562.2	2228.4	2014.1	2228.0	1818.1	1999.0	1571.7	2338.5	2789.8	1457.1	1351.7	1732.8	1160.4	1113.1	1127.7	838.0	979.5	1238.1	1267.2	1073.8	1282.1	2442.6	2401.2	3018.5	2478.7	2177.1	1997.4	1573.0	2041.7	1414.8	2118.8	1634.7	981.4	1027.3	887.4	1495.7	1450.5
Glycine	886.8	1955.3	1655.3	1515.6	1584.0	1853.7	2193.0	2141.7	2779.7	2780.7	1863.2	2661.0	2292.7	2040.2	3210.6	2097.6	2610.8	3098.5	1178.2	1015.2	954.2	1407.0	1029.7	1315.9	1211.1	874.9	1121.0	1419.9	1097.1	1456.5	2084.1	2364.3	3006.1	2002.3	2473.8	1958.5	2162.8	2107.4	1305.0	2398.1	2344.1	663.1	662.7	863.4	674.2	591.9
Alanine	1043.0	1293.9	1445.2	1315.9	1352.1	1471.3	1282.0	1596.1	1839.8	1624.3	1355.9	1566.0	1733.0	1177.0	1811.6	1475.6	1487.5	1869.1	1900.8	1456.4	1912.4	1608.1	1234.6	1405.6	1260.1	1422.3	1334.9	1399.6	1210.1	1302.3	1482.9	1467.4	1586.0	1712.1	1451.6	1607.5	1440.6	1677.7	1161.9	1393.5	1329.2	1192.7	1092.0	1072.4	1176.0	1096.4

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