Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST001683

(Analysis AN002748): Average values per metabolite and experimental factor (Units:Raw ion count (peak area))

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29	F30	F31	F32	F33	F34	F35	F36	F37	F38	F39	F40	F41	F42	F43	F44
1,5-ANHYDRO-GLUCITOL	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	57605.20	50194.60	51331.75	214656.08	234482.40	117941.75	-	-	-	-	-	-	-	-	-	19652.25	2758.33	24204.67
1,6-ANHYDRO-B-GLUCOSE	29622.20	27027.00	21085.60	23915.00	34602.00	14519.00	-	-	-	-	-	-	63347.67	65701.75	103385.67	83219.25	77383.67	80874.75	-	-	76985.92	195077.20	176262.88	101974.00	312722.60	178451.12	-	-	-	287244.58	255057.80	174925.88	80662.00	58926.25	64977.50	97288.40	63707.75	65947.75	-	-	-	-	-	-
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	59622.08	58227.70	33794.50	-	-	-	-	-	-	-	-	-	-	-	-
2,4-DIHYDROXYBUTANOIC ACID	-	-	-	-	-	-	-	-	-	23591.57	18539.50	15848.00	66868.67	17092.25	52702.67	16141.25	117016.67	113585.50	65795.67	54452.00	-	-	-	-	-	-	-	-	-	84069.40	87165.20	89258.00	33299.80	23136.50	26920.00	25404.20	29589.50	24789.25	-	-	-	15883.00	9091.00	14036.67
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35528.08	38705.50	33244.50	45527.57	58590.60	46270.50	61158.29	66778.60	53590.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2,6-DIHYDROXYBENZOIC ACID	348.50	752.83	109.00	465.50	478.50	-	74917.00	65189.14	89591.40	423919.57	439192.33	388014.67	14471.33	1058.25	8646.33	660.75	178419.00	205823.25	984062.33	936973.75	-	-	-	-	-	-	274488.20	380612.80	335116.00	1044117.60	828429.60	572590.75	3026.00	3205.25	1415.25	3927.60	8471.25	1027.75	98659.40	77801.00	91251.50	332434.00	284570.00	245101.67
2-AMINO-2-METHYLPROPANOIC ACID, 2-AMINOBUTYRIC ACID, 3-AMINO...	-	-	-	-	-	-	-	-	-	-	-	-	25499.67	2779.50	29857.67	3088.00	-	-	-	-	-	-	-	-	-	-	-	-	-	78174.43	138454.40	64419.00	-	-	-	-	-	-	-	-	-	-	-	-
(2-AMINOETHYL)PHOSPHONATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	263829.00	260331.60	370320.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-DEOXY-GLUCOSE	-	-	-	-	-	-	-	-	-	-	-	-	9433.67	9026.50	15855.33	12109.00	-	-	-	-	14509.00	27938.20	14148.50	28078.29	72478.80	39635.00	213632.86	152025.00	240899.00	-	-	-	-	-	-	-	-	-	-	-	-	1345.25	4424.00	1074.67
2^-DEOXYGUANOSINE 5^-MONOPHOSPHATE, ADENOSINE 5^-MONOPHOSPHA...	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	4307.00	105.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2^-DEOXYURIDINE 5^-MONOPHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	50565.57	68833.60	48057.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-HYDROXY-3-METHYLPENTANOIC ACID, 2-HYDROXY-4-METHYLPENTANOI...	3221.00	17682.83	-	2855.00	26389.00	-	-	-	-	11235.71	16358.67	5479.67	-	-	-	-	14901.33	16381.25	7487.00	30272.25	5559.58	314362.70	2453.67	4165.89	90409.40	906.86	29965.40	39040.20	36298.75	54005.20	38015.80	33903.25	14649.20	90317.25	1605.50	5617.40	77789.25	671.00	9999.40	4924.00	9890.75	13231.25	3307.33	11233.67
2-HYDROXYBUTYRIC ACID, 3-HYDROXYBUTYRIC ACID, 3-HYDROXYISOBU...	-	-	-	-	-	-	15288.25	16760.43	19370.60	-	-	-	8559.33	1241.25	12479.67	618.75	86185.00	71476.75	-	-	10495.17	43802.60	7352.50	12077.86	32821.00	11140.75	118270.00	132659.60	98789.25	44350.43	52836.60	30745.00	16562.40	11138.50	4278.50	6135.00	6684.25	2246.75	19693.80	15093.00	16995.50	-	-	-
2-HYDROXYHEXANEDIOIC ACID, 3-HYDROXY-3-METHYLGLUTARIC ACID	-	-	-	-	-	-	-	-	-	26079.29	21770.67	13276.33	27969.00	2938.75	22018.33	2402.00	-	-	74784.67	37000.50	-	-	-	-	-	-	111771.42	105473.30	150317.62	151533.08	174542.40	203806.88	-	-	-	-	-	-	-	-	-	-	-	-
2-HYDROXYPHENYLACETIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	20843.33	16446.25	-	-	-	-	-	-	-	-	-	127204.00	113837.60	70687.50	-	-	-	-	-	-	-	-	-	-	-	-
2-ISOPROPYLMALIC ACID	-	-	-	-	-	-	-	-	-	21580.71	15779.50	11574.00	-	-	-	-	-	-	77476.67	36613.00	11051.20	19673.20	14091.00	11450.17	32221.50	17552.12	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14719.75	7802.00	14383.00
2-METHYLBUTYRYLGLYCINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	266584.33	179976.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-METHYLMALEIC ACID, ITACONIC ACID	7558.60	3635.83	6389.60	10189.50	1443.00	3146.33	-	-	-	191317.86	180497.33	100334.33	46769.00	37118.25	60476.67	34159.50	99651.67	82882.25	1010014.00	401038.50	182531.71	187592.20	147733.00	117401.67	136114.70	96827.25	134277.00	174350.20	139527.00	1017255.40	1530381.40	980328.75	-	-	-	-	-	-	-	-	-	180541.50	148344.00	133342.00
2-OXOADIPATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	17049.33	4300.75	25634.50	29386.30	18191.00	24869.42	29969.40	19967.12	48592.58	37483.80	20683.12	80423.08	55900.90	59439.25	17174.20	10802.25	9753.50	14857.40	9711.00	9029.25	-	-	-	6776.75	1660.00	1266.00
2-PHOSPHOGLYCERIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	27201.86	32457.80	34795.75	45959.86	71940.40	39376.75	-	-	-	-	-	-	-	-	-	-	-	-
3-(2-HYDROXYPHENYL)PROPANOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	24239.60	17649.80	16300.25	-	-	-	-	-	-	-	-	-	-	-	-
3-(3-HYDROXYPHENYL)PROPIONIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	28744.00	114.00	24910.00	266.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3,4-DIHYDROXYBENZOATE, 3,5-DIHYDROXYBENZOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	17599.00	15702.50	-	-	-	-	-	-	-	-	-	65543.33	67786.00	35004.88	-	-	-	-	-	-	-	-	-	-	-	-
3,4-DIHYDROXYMANDELIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	45366.29	21449.60	28122.00	33524.71	26753.00	30181.75	74722.14	49124.80	67801.00	43306.14	42901.00	33944.00	-	-	-	-	-	-	-	-	-	-	-	-
3,4-DIHYDROXYPHENYLACETIC ACID, 3-HYDROXYMANDELIC ACID, 4-HY...	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12925.67	13685.50	-	-	-	-	-	-	-	-	-	501843.29	609440.00	270251.50	-	-	-	-	-	-	-	-	-	-	-	-
3-(4-HYDROXYPHENYL)PYRUVIC ACID	-	-	-	-	-	-	7200.12	8169.00	8778.80	91786.86	43169.33	58775.00	8102.33	1137.00	19640.00	846.25	11418.00	7390.00	457086.00	267148.50	-	-	-	-	-	-	101519.33	103999.70	90102.88	763242.92	408012.00	369481.75	-	-	-	-	-	-	-	-	-	41763.50	34789.67	67296.67
3-AMINO-4-HYDROXYBENZOIC ACID, 3-AMINO-5-HYDROXYBENZOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	22911.00	7087.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-DEHYDROSHIKIMIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	18323.67	24809.25	-	-	51831.29	26959.60	57974.50	-	-	-	109054.92	87079.80	78639.88	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-FUROIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35250.00	43772.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYANTHRANILIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	17762.29	17950.20	19690.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYBENZYL ALCOHOL	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	36496.29	97019.60	86343.75	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYGLUTARIC ACID, ALPHA-HYDROXYGLUTARIC ACID, CITRAMAL...	20804.00	14084.50	21717.20	27864.50	26495.50	14911.00	11537.25	12522.86	12450.60	32305.86	31615.33	18182.00	338836.67	27630.75	467484.00	22878.00	42317.00	23300.75	286490.67	57210.00	181082.71	488761.60	114370.75	114588.67	319637.90	74872.50	286459.75	262457.50	270066.88	366773.33	473356.30	267216.25	41509.20	80648.75	56831.50	29206.40	45647.50	27998.50	22113.40	25135.50	23490.75	29480.75	23155.67	23760.33
3-HYDROXYINDOLE	-	-	-	-	-	-	-	-	-	-	-	-	27361.33	-	30902.00	59.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-HYDROXYISOVALERIC ACID	2883.80	11641.67	-	1242.00	12968.00	-	22781.00	30837.71	16931.40	-	-	-	-	-	-	-	25737.33	54188.50	-	-	-	-	-	-	-	-	188366.58	115788.90	116011.50	-	-	-	-	-	-	-	-	-	32945.00	11570.25	29040.25	3981.25	150.33	2864.00
3-METHYLADIPIC ACID, PIMELIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	46651.86	51880.40	50996.50	51629.00	47891.90	33691.12	-	-	-	-	-	-	-	-	-	-	-	-
3-METHYLGLUTACONIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	17342.67	10510.50	23424.00	11623.00	34957.33	34106.75	-	-	30333.86	28176.20	20860.50	22762.00	15388.20	13103.50	128965.57	79773.00	136812.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-NITRO-TYROSINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	57449.14	48281.60	66512.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-PHENYLLACTIC ACID	-	-	-	-	-	-	-	-	-	20674.00	10947.83	3233.00	13165.67	3577.75	15851.67	4532.00	-	-	24269.33	28607.50	3890.83	242447.80	2786.38	5079.18	114821.90	3961.00	36723.00	29298.00	25939.25	229587.71	274030.80	28536.00	8490.20	34923.75	4567.00	4813.60	58975.33	3123.25	-	-	-	14306.25	6247.67	11225.67
3-PHOSPHOGLYCERIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9372.33	14885.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
3-SULFINO-ALANINE	-	-	-	-	-	-	-	-	-	-	-	-	9185.67	13752.25	12825.67	17779.25	-	-	-	-	-	-	-	34383.14	133492.00	65008.00	-	-	-	64213.86	84491.40	48955.00	19773.40	17622.75	14234.50	25975.80	21542.75	18820.75	-	-	-	-	-	-
3-UREIDOPROPIONATE, ASPARAGINE, GLYCYL-GLYCINE	2916.80	4115.50	21726.20	6935.00	4924.50	16061.67	-	-	-	-	-	-	27408.00	80844.75	7253.33	69292.75	16632.33	13177.75	-	-	384530.00	80842.20	319150.38	333372.75	112250.00	280906.25	-	-	-	-	-	-	41459.40	78767.25	99308.75	31515.60	62768.25	77949.75	-	-	-	-	-	-
4-ACETAMIDOBUTANOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	50834.00	66941.70	37206.38	-	-	-	-	-	-	-	-	-	-	-	-
4-ACETAMIDOPHENOL	-	-	-	-	-	-	-	-	-	52040.29	52628.50	45497.67	-	-	-	-	-	-	151346.00	148629.00	-	-	-	-	-	-	-	-	-	330339.86	255436.20	146409.75	-	-	-	-	-	-	-	-	-	30895.50	28016.33	28537.67
4-AMINOBENZOIC ACID, TRIGONELLINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14139.00	5570.75	-	-	-	-	-	-	-	-	-	72106.42	70912.10	41123.50	-	-	-	-	-	-	-	-	-	-	-	-
4-AMINOBUTANOIC ACID	31564.20	35123.83	17570.40	36593.50	55031.50	14718.67	-	-	-	-	-	-	143396.33	59282.50	167908.00	55813.25	-	-	44734.67	21450.00	330839.58	94027.00	293802.75	264426.58	52979.60	242438.62	8690.20	7571.20	8155.25	-	-	-	128249.00	197353.50	79620.75	102856.20	157769.25	66112.75	-	-	-	-	-	-
4-BROMO-PHENYLALANINE	60040.20	66983.50	90234.20	70916.00	78053.50	71726.00	74351.38	87452.86	86429.20	37202.00	35538.50	45182.00	248635.00	251752.50	284440.00	247806.75	153573.67	174758.00	137098.33	158354.75	804820.42	778143.00	929837.50	1011427.92	897775.10	948135.88	1266807.83	1075510.00	1236635.50	919803.50	779731.90	931744.50	454691.00	473266.50	480636.50	437295.40	450942.50	449573.50	83978.60	78777.25	74245.25	58178.75	66729.33	66187.33
4-CHLORO-PHENYLALANINE	62734.40	79886.50	101833.60	69592.00	79873.50	71962.33	115649.12	157322.14	164019.80	107001.86	111650.83	101709.00	177127.00	211136.25	184351.67	225212.75	335867.67	346165.75	346457.33	388059.75	676813.92	631006.70	680042.50	731487.67	625220.30	675574.25	1462422.75	1220362.60	1317239.38	1174137.00	1102441.70	1080895.75	4628882.80	4828778.50	4706269.25	5101252.00	4995304.75	4924697.75	136798.20	124471.75	123589.00	99572.75	90821.67	106823.67
4-ETHYLOCTANOIC ACID	5395.60	8271.33	6389.80	6680.50	5861.00	5319.67	-	-	-	-	-	-	24005.00	14439.00	23534.00	6123.00	61229.67	45067.75	-	-	406889.33	109242.50	207834.38	-	-	-	178096.80	177862.80	205050.50	32459.71	28134.20	32672.00	41850.20	27117.25	41892.75	26189.60	25378.75	25702.25	31195.80	30667.50	33116.25	-	-	-
4-GUANIDINOBUTANOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	105180.71	199731.40	81256.75	-	-	-	-	-	-	-	-	-	-	-	-
4-HYDROXY-3-METHOXYMANDELIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	87872.83	53106.90	41958.38	-	-	-	-	-	-	-	-	-	-	-	-
4-HYDROXYBENZALDEHYDE	-	-	-	-	-	-	-	-	-	-	-	-	18274.00	15571.00	32385.00	13655.75	22680.67	8377.75	-	-	39253.86	46268.40	34778.00	41877.57	37364.40	25835.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	40054.50	10773.00	31734.00
4-HYDROXYBENZOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	36215.33	11657.75	-	-	-	-	-	-	-	-	-	61056.00	84770.00	61027.00	-	-	-	-	-	-	-	-	-	987.00	13067.33	1413.00
4-HYDROXYCYCLOHEXANECARBOXYLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	15225.43	17791.00	10915.00	-	-	-	-	-	-	-	-	-	-	-	-
4-HYDROXYPHENYL ACETIC ACID	-	-	-	-	-	-	-	-	-	8844.86	5228.33	3302.33	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	72626.25	67532.20	58149.12	-	-	-	-	-	-	-	-	-	7132.25	2450.33	2878.00
4-HYDROXYPHENYL ACETIC ACID, MANDELIC ACID	10501.80	8852.50	478.80	7533.00	7564.50	-	-	-	-	-	-	-	39435.67	86.33	45575.33	224.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
4-HYDROXYPHENYL-D4-ALANINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	46446.14	43467.60	49244.25	73145.43	69567.40	72528.00	75783.43	63640.40	72493.75	-	-	-	-	-	-	-	-	-	-	-	-
4-HYDROXYPROLINE, 5-AMINOLEVULINIC ACID	-	-	-	-	-	-	-	-	-	1992.57	30397.83	927.00	9793.33	17910.25	19808.67	17135.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	79821.60	2125.25	20355.75	51360.40	2755.75	23484.50	-	-	-	-	-	-
4-IMIDAZOLEACETIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12832.29	50923.20	33935.25	-	-	-	-	-	-	61447.33	65033.10	45584.88	-	-	-	-	-	-	-	-	-	6603.25	790.67	8728.00
4-METHYLVALERIC ACID	2471.00	5100.00	1927.60	2294.50	2182.00	1195.33	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35130.42	32775.60	34999.62	40657.17	30784.30	30986.25	241987.29	232429.80	240011.00	-	-	-	1833.60	18735.75	1012.50	1525.40	14929.50	1742.75	-	-	-	-	-	-
4-PYRIDOXIC ACID	888.40	960.83	452.80	749.50	656.50	340.00	-	-	-	57844.86	72986.83	84970.33	213508.67	57107.75	171430.67	48908.50	10471.33	22313.00	158836.33	287609.25	212402.00	216983.90	145319.00	182682.67	188285.60	112960.25	82410.17	54605.00	104816.62	-	-	-	224177.60	138226.50	120399.25	185123.60	50446.33	110086.25	17132.80	10580.25	11080.75	136359.75	101705.33	120669.33
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSYL 5^-MONOP...	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14991.71	13908.60	17913.00	-	-	-	-	-	-	-	-	-	-	-	-
5-AMINOPENTANOIC ACID, BETAINE	519.60	19135.17	180.50	624.50	24927.50	59.50	-	-	-	-	-	-	43364.00	3360.25	92356.67	2853.50	699222.67	525338.00	-	-	-	-	-	-	-	-	1810510.14	1740431.20	2164581.00	-	-	-	1852.40	1599548.50	1692.75	1031.40	1387119.75	1194.50	-	-	-	1017.75	9774.67	310.67
5-HYDROXYINDOLE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	20274.29	24249.00	9941.00	-	-	-	-	-	-	-	-	-	-	-	-
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	38132.33	29088.75	-	-	7252.60	26668.60	39254.75	9922.83	22386.80	27592.88	-	-	-	85638.43	77518.60	48766.00	12329.40	8674.00	13874.25	17113.40	14837.50	12722.75	-	-	-	-	-	-
5-SULFOSALICYLIC ACID	-	-	-	-	-	-	-	-	-	5663.57	29982.50	4616.33	-	-	-	-	-	-	-	-	15384.08	15344.40	8144.25	3261.20	12031.00	4122.75	-	-	-	-	-	-	9575.40	29398.50	6858.25	13657.40	34610.25	8664.25	-	-	-	8067.00	123644.00	6280.33
6-HYDROXYNICOTINIC ACID	9210.00	10641.33	5802.40	9651.50	10039.00	6769.00	-	-	-	16941.14	16537.00	23363.33	73872.33	15854.25	144606.67	20782.25	-	-	51818.67	29156.00	-	-	-	89835.43	212071.60	91078.25	-	-	-	122258.60	112358.40	105103.25	46329.20	52017.00	18691.50	37617.80	54391.50	30544.00	-	-	-	16576.50	12915.00	15255.67
6-PHOSPHOGLUCONIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	11281.67	6518.25	6747.33	8214.50	-	-	-	-	15480.71	26004.40	23763.25	-	-	-	17344.14	14200.80	15614.75	-	-	-	-	-	-	-	-	-	10463.40	8963.75	9428.00	-	-	-
8-HYDROXYQUINOLINE, INDOLE-3-CARBOXALDEHYDE	-	-	-	-	-	-	-	-	-	17689.29	13566.83	12277.00	36226.00	3645.00	47308.33	1163.50	-	-	-	-	32636.57	45436.80	32589.00	34191.86	56521.40	30402.00	85526.14	44686.40	63608.25	86790.43	48155.80	62136.00	17932.00	36035.00	12194.25	12968.80	33276.00	10022.00	-	-	-	11538.50	7457.67	9326.33
ACONITIC ACID	-	-	-	-	-	-	-	-	-	160752.29	144850.17	79351.67	3685.33	28513.00	6041.00	28964.00	66837.33	57510.25	811019.33	358832.00	163305.67	139470.40	135978.00	214857.57	203787.00	199056.75	152147.00	233107.80	215614.00	2369867.17	1837096.30	1908755.50	53983.00	71305.25	53897.25	51756.40	67181.75	49259.50	29990.00	26678.00	25503.75	157424.25	128230.33	115154.00
ADENINE	-	-	-	-	-	-	-	-	-	-	-	-	26451.33	1894.25	47906.67	1027.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11804.40	5881.50	1750.75	17193.60	6241.50	1074.50	-	-	-	-	-	-
ADENOSINE 2^,3^-CYCLIC MONOPHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	27579.00	34163.20	20903.50	-	-	-	-	-	-	-	-	-	-	-	-
ADENOSINE 3^,5^-CYCLIC MONOPHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9717.33	10749.00	-	-	-	-	-	-	-	-	-	15412.60	13128.80	13468.00	-	-	-	-	-	-	-	-	-	-	-	-
ADENOSINE 3^,5^-DIPHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12184.86	11147.20	19872.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ALANINE, SARCOSINE	41714.20	41072.67	34060.40	41267.50	31398.00	32210.00	-	-	-	-	-	-	266789.67	128261.00	297626.67	76196.75	-	-	-	-	1439292.00	1056371.80	1110256.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ALLANTOIN	-	-	-	-	-	-	-	-	-	65003.00	67072.33	77794.67	377.00	13951.50	1187.00	14146.75	15495.33	14909.25	252850.00	291293.75	14933.60	41345.80	14707.00	62182.17	86778.20	35736.62	76596.14	63395.40	76303.75	911878.25	988480.00	568622.62	71610.40	38164.00	24635.75	59721.20	32584.50	26281.75	-	-	-	75678.50	59926.00	64668.67
ALLO-ISOLEUCINE, ISOLEUCINE	56944.60	63710.33	53111.00	76193.50	62197.50	35786.33	39390.00	64706.00	107059.80	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2742709.60	2804429.00	3154141.00	-	-	-	-	-	-	-	-	-	77670.40	52552.50	56785.75	-	-	-
ALLOSE, ALPHA-GLUCOSE, FRUCTOSE, GALACTOSE, GLUCOSE, GULOSE,...	-	-	-	-	-	-	117920.12	141186.86	143517.60	29649.29	21894.50	30570.67	-	-	-	-	517190.00	514025.00	112592.33	119408.50	-	-	-	273394.20	630852.40	247467.25	384508.60	353365.40	277742.50	324961.00	273489.00	192619.00	442478.20	326108.25	170619.50	514165.80	307529.50	280109.00	153521.80	133946.75	133007.50	-	-	-
ALLOTHREONINE, HOMOSERINE	9643.40	12321.33	38683.20	14771.50	14678.50	26655.33	-	-	-	-	-	-	98298.33	172233.50	83950.00	137835.25	-	-	-	-	-	-	-	161288.29	77013.00	415470.25	64996.00	53021.80	99954.50	29098.57	32842.60	17105.75	55236.00	48607.75	169665.50	16306.60	23318.25	133660.25	-	-	-	-	-	-
ALPHA-AMINOADIPIC ACID, AMINOADIPIC ACID, N-METHYL-GLUTAMATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	21961.86	24712.80	19756.00	16346.43	12874.20	15084.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ALPHA-ARBUTIN	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	25006.86	22672.80	14100.25	-	-	-	-	-	-	-	-	-	-	-	-
ALPHA-GALACTOSE 1-PHOSPHATE, MANNOSE 6-PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	18411.40	15936.00	15777.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ALPHA-KETOGLUTARIC ACID	-	-	-	-	-	-	22144.75	15514.29	22264.00	41816.43	14044.00	5893.33	29658.00	3340.50	85558.00	2573.50	-	-	577239.33	25912.25	-	-	-	116828.08	72451.20	11693.38	795554.00	607462.80	694054.12	1047837.75	998514.30	1167163.62	11118.00	9718.75	6672.25	7834.00	36504.50	4549.00	25334.60	28447.25	31115.00	35016.25	16902.00	12761.00
ALPHA-N-ACETYL-GLUTAMINE	-	-	-	-	-	-	-	-	-	56435.43	21322.17	51575.67	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	531632.42	547968.50	451015.25	19064.80	19193.00	8255.25	13799.20	19168.75	9402.50	-	-	-	47760.50	10349.33	59053.00
ALPHA-RHAMNOSE, FUCOSE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	43024.67	53520.25	-	-	-	-	-	-	-	-	-	-	-	314767.29	338213.60	159301.00	-	-	-	-	-	-	-	-	-	-	-	-
AMINOMALONIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	24387.20	995.00	354.25	16723.80	1942.75	206.00	-	-	-	-	-	-
ANDROSTERONE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	52278.71	68266.60	43467.75	68281.00	60059.60	40986.25	93152.00	43472.40	81358.50	-	-	-	20469.40	19317.75	11444.75	11653.40	15959.75	9338.75	-	-	-	-	-	-
ARABINOSE	115745.40	136246.67	80628.20	149022.50	177744.00	71160.67	-	-	-	285556.14	209861.83	314266.67	31795.67	115758.25	29525.67	171517.50	-	-	385761.33	352539.25	1049508.43	1184240.40	855916.75	1134424.43	2361128.40	1118476.75	-	-	-	3332612.71	4151123.40	1786826.75	344069.60	314283.75	147740.50	448562.80	357780.75	237057.75	-	-	-	165936.00	110229.67	121622.67
ARABINOSE, LYXOSE, RIBOSE, XYLOSE	-	-	-	-	-	-	-	-	-	-	-	-	30872.33	116214.75	28655.67	172101.25	-	-	-	-	539523.00	683173.80	554669.50	568050.00	1118462.40	510277.50	-	-	-	1428791.80	1225792.80	1166685.25	-	-	-	-	-	-	-	-	-	-	-	-
ARABITOL, XYLITOL	-	-	-	-	-	-	-	-	-	-	-	-	2710.00	33867.75	2716.67	39222.00	-	-	34314.33	40724.25	16305.75	112365.70	65842.12	13748.42	160554.20	107113.25	-	-	-	161846.29	245484.80	136330.75	119449.80	88644.25	59186.75	117082.60	89141.25	63722.75	-	-	-	14042.75	9038.33	12290.67
ARGININE	-	-	-	-	-	-	-	-	-	-	-	-	146168.33	140269.25	60047.67	79820.50	-	-	-	-	145166.20	206450.40	116183.50	205311.75	382634.60	157811.12	14285.40	16157.60	9022.00	-	-	-	62992.20	24120.50	43391.50	35777.20	9922.00	21448.75	-	-	-	-	-	-
ASCORBIC ACID, GLUCURONOLACTONE	-	-	-	-	-	-	-	-	-	23735.29	28590.33	42774.67	-	-	-	-	-	-	167367.67	278058.75	110141.60	116701.00	90275.25	105546.20	123736.40	90313.75	213592.60	209629.20	222005.25	2005916.25	2298232.90	1551554.50	95565.20	79162.50	69287.25	57368.60	81473.50	59818.50	-	-	-	43966.75	49328.33	39785.00
ASPARTIC ACID	48790.40	56734.17	30609.20	64192.50	69468.00	25738.67	-	-	-	-	-	-	351784.33	100575.00	176689.67	74410.00	-	-	-	-	525677.25	449905.80	583946.50	383866.92	218923.00	375492.12	19500.80	15334.40	15512.50	58835.50	59182.10	41091.50	202074.00	242826.00	173007.00	77332.60	159414.75	103998.50	-	-	-	-	-	-
ASP-PHE	-	-	-	-	-	-	-	-	-	-	-	-	13452.33	16352.00	14542.33	9747.50	-	-	-	-	711313.86	15359.20	762266.75	772384.71	82008.20	786645.50	16724.29	7438.80	21059.50	163381.29	97648.00	163728.50	35001.00	22033.25	17952.75	14082.40	12122.50	8282.00	-	-	-	-	-	-
BENZALDEHYDE	-	-	-	-	-	-	-	-	-	-	-	-	10810.67	9387.50	8713.33	13547.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
BENZYL ALCOHOL	-	-	-	-	-	-	-	-	-	-	-	-	13458.33	1559.00	7873.67	1007.00	87559.00	612.75	551465.67	3618.25	-	-	-	-	-	-	-	-	-	23721.43	10555.40	4212.50	-	-	-	-	-	-	-	-	-	1030.00	-	-
BETA-ALANINE	-	-	-	-	-	-	-	-	-	56516.43	21093.00	36275.33	-	-	-	-	66417.00	64706.00	134358.00	79284.25	-	-	-	-	-	-	-	-	-	498072.08	481835.80	265024.50	-	-	-	-	-	-	-	-	-	49153.00	13756.67	51409.33
BETA-LACTOSE	8704.00	7227.50	30060.60	12247.00	10964.00	34889.67	-	-	-	-	-	-	-	-	-	-	-	-	-	-	173535.00	18470.60	328994.25	199794.40	26643.40	314567.50	-	-	-	106778.86	98909.80	70070.75	7405.60	324825.50	132193.50	7316.80	419068.50	338765.75	-	-	-	-	-	-
BETA-N-ACETYLGLUCOSAMINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9818.57	8651.80	9028.50	14365.71	23049.40	20896.75	20497.60	22425.75	655.00	57662.60	36401.75	4201.50	-	-	-	-	-	-
BUTYLATED HYDROXYTOLUENE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	50339.43	55033.40	46097.00	-	-	-	39495.29	36701.80	38322.25	21467.29	18651.40	32200.00	-	-	-	-	-	-	-	-	-	-	-	-
CAPRYLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	29997.33	18538.50	-	-	49733.29	28044.40	31629.25	31033.29	26148.20	27884.00	157385.58	144039.50	166868.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CAPRYLOYL GLYCINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5225.33	4072.75	-	-	-	-	-	-	16040.14	11704.20	9864.25	38581.71	39364.80	18076.75	-	-	-	-	-	-	-	-	-	1626.00	1849.00	1863.33
CARNOSINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	54584.71	116224.20	56548.50	-	-	-	-	-	-	-	-	-	-	-	-
CATECHIN	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	574.50	11907.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CATECHOL	-	-	-	-	-	-	-	-	-	39129.43	40137.17	35761.67	-	-	-	-	34587.33	37316.75	175566.33	158246.50	-	-	-	-	-	-	84245.83	48361.70	74214.25	312139.43	320095.80	146142.50	-	-	-	-	-	-	8806.40	7379.25	8139.25	28169.25	23845.33	20313.67
CELLOBIOSE, LACTULOSE, MALTOSE, MELIBIOSE, PALATINOSE, SUCRO...	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	135897.80	62147.60	152019.50	150264.00	54502.40	182443.00	-	-	-	38926.40	50916.20	26941.75	-	-	-	-	-	-	-	-	-	-	-	-
CHENODEOXYCHOLIC ACID, DEOXYCHOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	14876298.33	2674.75	16732803.67	3782.50	33593.67	1944.75	-	-	116134.71	116222.20	104827.25	102879.57	116267.60	108275.75	104722.71	120988.00	108395.25	100770.86	86315.00	101567.25	-	-	-	-	-	-	-	-	-	-	-	-
CHOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	698465.33	1719.75	743092.00	3015.00	207956.67	5140.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CITRIC ACID, ISOCITRIC ACID	101435.40	38448.83	71736.00	32706.00	37752.50	40074.33	178426.88	195950.29	200357.20	572504.43	399294.33	95295.33	82029.67	283560.25	76205.00	209929.25	1240284.00	933064.25	4543490.33	1116569.00	888123.67	1166467.40	768754.88	871245.58	1125525.60	596271.38	2322190.83	2452501.70	2123894.38	5267606.58	4490420.60	5247643.88	692812.80	455782.25	396791.25	342161.00	265280.00	183119.00	303664.60	208898.00	233390.25	366205.75	187887.00	397001.67
CITRULLINE	-	-	-	-	-	-	-	-	-	-	-	-	45516.00	2434.75	58057.00	2181.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CORTICOSTERONE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	37993.00	35021.00	-	-	-	-	-	-	-	-	41581.00	97466.00	111778.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CREATINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	18429.67	18358.00	23464.33	24191.25	-	-	-	-	-	-	21395.60	18635.00	18448.25	156348.00	154250.90	87797.00	-	-	-	-	-	-	-	-	-	9963.00	1853.00	9631.33
CREATINE PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	7716.00	7070.00	3927.50	-	-	-	-	-	-	-	-	-	-	-	-
CREATININE	-	-	-	-	-	-	-	-	-	-	-	-	11871.67	72749.50	12568.67	78138.25	-	-	-	-	-	-	-	-	-	-	75184.00	50531.80	57276.00	2834205.86	3485245.20	1654202.25	149324.60	155853.50	107673.75	163408.40	154857.75	97085.00	-	-	-	36219.25	6834.33	30260.33
CYS-GLY	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	16606.67	14281.00	-	-	-	-	-	-	-	-	-	54620.60	48709.00	39790.00	-	-	-	-	-	-	-	-	-	-	-	-
CYSTATHIONINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	30747.92	45162.00	27090.62	41135.57	137284.40	42355.00	-	-	-	23770.17	19824.20	20440.12	10657.40	10828.75	11603.00	12980.80	10893.75	12607.25	-	-	-	-	-	-
CYSTEIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9177.14	11067.60	9567.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
CYSTEINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	20356.14	17564.60	20300.25	20123.43	18384.40	16076.25	-	-	-	13228.14	14497.80	11676.50	-	-	-	-	-	-	-	-	-	-	-	-
D15-OCTANOIC ACID	567150.80	617413.67	751919.40	676734.00	606443.00	568494.00	540446.50	713529.43	749943.60	430150.71	437663.83	415078.33	1383171.33	1559276.50	1495878.00	1518848.25	1692879.67	1674324.00	1658355.33	1691996.25	4639875.17	4525369.60	6249265.38	6733462.00	5872935.50	6253831.00	7466400.25	6505353.40	6563810.12	7019434.67	6219248.00	6292266.25	1155717.40	1159793.50	1143665.25	1048416.40	1120564.50	1052747.25	633088.00	576943.00	551481.50	482060.50	470141.33	478981.67
D19-DECANOIC ACID	630532.40	686316.83	843902.60	718410.50	626730.00	597137.00	351080.25	455944.57	465253.60	399963.86	419846.33	489927.67	1486067.33	1527281.00	1553441.33	1382913.25	1890359.00	1650487.75	1990423.33	2013064.00	3142247.25	3016097.20	3143162.50	2865837.25	2613985.20	3066316.12	6928612.58	6308805.80	6240201.75	7765314.75	7058787.80	7132447.00	3233070.60	3200729.00	3261337.25	3170586.20	3258272.50	3102740.25	677075.00	620426.50	626210.25	547291.25	543536.00	554538.67
D27-TETRADECANOIC ACID	1870576.40	1560579.50	1454582.20	1048316.00	328175.50	1141111.33	616049.25	797250.29	821957.40	140674.86	136814.83	62288.67	5574424.33	7355576.75	6146886.00	6591774.25	8157014.67	7635102.50	7773467.33	5575495.75	18208142.17	16735442.20	16722007.00	7779842.60	8262900.00	9635628.00	18162493.83	16980448.90	16096408.88	15433161.42	12702053.80	14667246.88	12049332.40	11344022.00	12263252.50	11518140.60	11790456.75	12022523.00	2135569.60	1915947.00	1883932.25	477181.25	514868.00	505134.67
DECANOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	300746.50	265425.30	319284.88	46939.57	41208.80	49142.75	-	-	-	-	-	-	-	-	-	-	-	-
DEHYDROASCORBIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	48324.33	5810.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DEOXYURIDINE	-	-	-	-	-	-	-	-	-	14811.14	12083.67	12022.67	14622.33	4637.50	28488.67	5837.75	-	-	32464.00	41986.00	-	-	-	-	-	-	9917.14	8000.20	7749.75	65188.83	74289.70	35965.75	-	-	-	-	-	-	-	-	-	13967.25	13557.33	11600.67
DETHIOBIOTIN	-	-	-	-	-	-	-	-	-	-	-	-	23865.33	14561.75	13815.00	13138.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
DIACETYL	-	-	-	-	-	-	33493.38	39660.86	36422.00	-	-	-	24069.33	23676.25	29728.33	23640.50	95831.67	88348.25	906410.00	359325.25	113352.33	108856.50	87049.75	140340.00	136537.40	113907.00	124375.60	159628.20	118733.50	810657.60	1313526.20	804595.50	-	-	-	-	-	-	51602.00	41083.25	42319.00	-	-	-
DIHYDROOROTIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	10977.00	18109.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
ERYTHRITOL, THREITOL	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	13830.67	11215.25	-	-	-	12135.29	16733.60	6640.00	-	-	-	44570.25	50657.00	31319.25	-	-	-	-	-	-	-	-	-	-	-	-
ETHANOLAMINE PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	20145.86	26854.20	15495.50	-	-	-	-	-	-	-	-	-	-	-	-
ETHYLMALONIC ACID, GLUTARIC ACID, METHYLSUCCINIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	31673.67	16765.50	-	-	-	-	-	-	32805.80	43416.80	43014.00	153005.29	143761.40	87233.50	-	-	-	-	-	-	-	-	-	-	-	-
FERULIC ACID	12533.20	12291.50	3675.20	7105.50	12390.50	1992.00	-	-	-	-	-	-	8078.33	8291.75	13009.33	7622.25	-	-	-	-	39617.50	40912.30	25235.25	48267.57	38859.40	19601.00	-	-	-	-	-	-	32402.00	23282.00	18835.75	20265.40	14896.75	19286.50	-	-	-	-	-	-
FRUCTOSE 6-PHOSPHATE, GLUCOSE-6-PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	10977.67	1001.00	13527.67	1329.00	-	-	-	-	-	-	-	-	-	-	63963.29	32853.60	90872.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
FUMARIC ACID, MALEIC ACID	14781.80	21414.83	6255.20	11709.00	19765.50	4386.33	27847.00	21362.86	30712.20	-	-	-	85980.67	22604.50	65133.00	17598.75	149424.67	126962.75	45292.00	31244.50	117480.86	539550.40	113047.75	65587.83	227680.60	55498.88	852156.58	656865.60	742395.50	238205.71	306650.40	204934.50	-	-	-	-	-	-	60597.00	59751.50	57857.75	-	-	-
GALACTARIC ACID, SACCHARIC ACID	32578.80	29715.17	20438.60	25525.00	17278.00	13284.67	-	-	-	8815.86	7117.00	8579.67	2799.00	155488.00	1132.00	57475.25	-	-	35700.67	27265.50	249160.67	32493.40	229673.00	185417.67	19276.20	155777.00	66131.17	50798.40	60246.00	109265.00	95963.10	76392.25	207526.40	169271.75	262938.50	42151.20	57792.25	67877.50	-	-	-	8029.50	6218.00	7799.33
GALACTITOL, MANNITOL	38206.00	39218.50	77814.80	44508.00	51584.50	63241.00	-	-	-	17045.57	8034.83	12488.67	15590.00	381876.00	15314.67	486893.75	-	-	123494.67	95891.25	2243.60	21383.20	332628.75	6281.83	63940.10	968268.88	-	-	-	89411.75	97761.50	72302.00	647186.80	262315.00	476682.75	731026.80	396435.50	602498.75	-	-	-	16886.25	17412.33	22245.33
GALLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	19710.57	6264.40	7765.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GLUCONIC ACID	124284.20	99282.67	189752.00	137494.00	139035.00	162902.67	3953.38	4717.57	2957.40	98956.43	122815.17	90116.00	23696.67	811320.75	24937.67	1009724.25	13308.00	9087.50	569416.67	298204.75	3111322.00	1107092.20	2744152.12	3088508.33	1343637.90	2930585.12	72378.80	69034.60	69427.50	1256185.75	1720978.20	919715.62	1963303.20	1743145.75	1570051.25	1371979.00	1381209.50	1426038.75	8604.00	7429.25	5384.75	166352.75	105506.33	100918.67
GLUCOSAMINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	27809.14	31149.00	25775.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GLUCOSAMINE 6-PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1056.67	3304.75	-	-	-	-	-	-	-	-	-	16453.83	15672.10	10164.12	-	-	-	-	-	-	-	-	-	-	-	-
GLUCOSAMINE 6-SULFATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	7728.86	9108.40	2076.75	-	-	-	-	-	-	-	-	-	-	-	-
GLUCOSE-1,2,3,4,5,6,6-D7	-	-	-	-	-	-	-	-	-	-	-	-	6142.67	5717.50	5458.00	4062.25	-	-	-	-	5550.80	12949.80	7499.00	11239.08	21797.40	14538.75	-	-	-	44363.86	33596.60	38341.75	26835.20	26183.75	17833.75	20262.20	21815.25	17072.25	-	-	-	-	-	-
GLUCURONIC ACID	12333.00	9535.67	29626.00	11657.50	9640.50	24030.00	-	-	-	22886.57	25496.17	16682.33	50773.67	124786.50	63806.67	145323.75	-	-	57331.00	73579.00	421573.83	94991.70	393675.88	432483.17	79523.50	429847.00	-	-	-	257653.75	266272.20	176619.25	76234.40	192476.00	253297.75	65683.40	198317.25	282235.50	-	-	-	23663.00	19246.67	23942.33
GLUTAMIC ACID	135653.40	153094.33	70398.80	160345.50	242379.50	58609.33	8550.25	8003.14	7962.40	24596.71	57674.17	16943.33	762116.67	239278.00	900062.67	204379.25	-	-	-	-	2013214.83	494166.20	1718907.50	1545841.67	223270.90	1439392.88	51386.00	42739.60	47059.25	212520.86	253702.80	139819.50	675999.00	800623.25	415438.00	586733.20	690660.25	351595.50	9430.00	9675.50	9437.75	-	-	-
GLUTAMINE	16826.00	18223.50	29937.00	22435.50	24165.50	23498.67	-	-	-	-	-	-	70736.33	118820.50	60501.67	98547.75	-	-	-	-	1315774.29	277260.60	1133253.75	429183.71	227028.20	441224.00	65788.40	62829.40	45816.50	77832.86	110041.80	53070.75	102021.20	103349.75	143303.25	77045.40	91861.00	109689.00	-	-	-	-	-	-
GLYCERIC ACID	12633.60	10035.00	9197.60	7830.00	8594.00	5868.33	-	-	-	-	-	-	43846.33	19473.75	43582.00	15445.75	-	-	-	-	34941.08	53400.00	59737.62	47829.42	43445.80	40410.38	14281.00	13467.40	12720.75	-	-	-	68932.20	23132.50	40498.75	33848.00	19442.25	21679.00	-	-	-	-	-	-
GLYCEROL 2-PHOSPHATE	-	-	-	-	-	-	5518.50	4595.29	6538.60	10429.29	12235.83	10895.67	13744.00	16616.00	40118.67	17264.75	-	-	15455.00	52676.50	-	-	-	-	-	-	162215.00	95353.00	154280.38	184306.00	156831.90	96298.00	-	-	-	-	-	-	8814.40	9380.75	11147.00	12695.50	16742.67	15207.00
GLYCOCHENODEOXYCHOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	17901.00	641.67	23485.67	403.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
GUANIDINEACETIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	139280.43	172554.80	84830.25	-	-	-	-	-	-	-	-	-	-	-	-
GUANOSINE	7540.60	8820.67	19035.80	4673.00	7666.50	20637.00	-	-	-	-	-	-	11671.33	41665.00	5460.67	54573.50	17958.67	5760.50	-	-	351351.17	49331.90	401125.38	398254.92	14626.80	353733.25	1240.71	7233.40	914.75	-	-	-	44125.60	19112.50	225486.50	18751.40	9551.00	239998.50	-	-	-	-	-	-
GULONIC ACID GAMMA-LACTONE	55225.40	51570.83	336.80	81512.50	85965.50	243.50	-	-	-	26580.14	11917.50	7737.33	24052.67	1047.50	134118.33	803.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	310752.80	1852.00	2622.50	623013.20	2246.50	1899.25	-	-	-	47554.50	2812.67	6870.67
HEPTANOIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	31953.67	14379.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
HEXANOYLGLYCINE	-	-	-	-	-	-	19066.38	18610.29	21610.40	510231.29	414813.17	414720.67	-	-	-	-	18243.67	26916.75	806777.00	2156005.00	-	-	-	-	-	-	199728.67	135692.30	152470.00	6220702.83	5439178.20	3372270.38	-	-	-	-	-	-	16483.80	10712.25	24519.00	706500.75	609287.33	1019186.00
HIPPURIC ACID	-	-	-	-	-	-	6416.62	107942.86	5102.60	256263.57	3738291.67	196448.00	-	-	-	-	131987.00	15422.75	8080424.33	504028.25	-	-	-	-	-	-	68265.00	28830.40	99851.25	1903382.71	1398905.60	1056783.50	2158.80	26337.75	1668.75	1479.60	17844.25	1547.25	6459.00	152585.50	6848.75	204588.25	3251631.00	176795.00
HISTIDINE	7812.60	9122.83	7357.00	12466.50	17337.00	5413.67	-	-	-	-	-	-	23231.00	28842.00	32785.67	18689.75	25782.33	25408.25	12143.33	4914.50	234959.92	197427.10	186950.00	200385.92	207983.10	121309.50	24228.20	29051.40	21167.25	53769.08	52626.40	37733.12	47324.40	31714.25	56646.50	26369.00	22193.75	28518.75	-	-	-	-	-	-
HOMOCYSTEINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12797.71	62833.20	15040.00	-	-	-	-	-	-	17694.42	15270.40	12160.88	-	-	-	-	-	-	-	-	-	-	-	-
HOMOVANILLIC ACID SULFATE	6671.80	3276.00	2207.40	6349.00	5641.50	1402.33	-	-	-	52789.43	18536.17	61708.33	-	-	-	-	-	-	-	-	45427.92	69353.40	27293.12	46248.00	92002.60	30335.62	12540.00	10650.40	10947.25	423481.75	506531.00	323429.50	26606.20	6113.25	18328.00	20793.40	4608.25	20650.50	-	-	-	35728.00	484.67	23763.00
HYDROXYPHENYLLACTIC ACID	19649.80	5773.83	117.50	19761.50	7047.00	109.00	23461.12	22653.57	29217.00	333014.71	115298.33	42543.67	-	-	-	-	67120.00	82267.50	-	-	-	-	-	-	-	-	-	-	-	401423.20	84925.20	111196.25	19075.00	11952.75	1119.00	22186.00	107508.25	1489.50	-	-	-	-	-	-
INDOLE	-	-	-	-	-	-	-	-	-	-	-	-	12867.00	120.00	6996.33	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
INDOLE-2,4,5,6,7-D5-3-ACETIC ACID	28586.20	31330.50	32757.60	30062.00	26906.50	31092.67	48076.88	61894.71	66689.00	21299.86	11062.67	21497.00	112824.67	131158.75	99082.67	130405.00	158544.67	158671.25	146422.33	142508.00	513523.50	479179.90	488957.25	546651.17	469881.40	506138.88	634067.83	584527.90	575681.88	559258.00	519568.20	552097.12	400540.60	402843.50	420927.75	374417.00	174752.25	406199.25	60108.80	54292.50	54016.50	16248.00	27397.67	24568.00
INDOLELACTIC ACID	17640.80	6765.67	571.20	14218.00	6751.50	129.00	35277.75	22333.43	36521.00	58584.86	25916.33	17056.00	-	-	-	-	-	-	36517.00	94870.75	981.12	228822.20	649.43	1338.33	184761.20	620.00	390934.00	251980.20	303542.12	491203.25	456741.40	166317.25	51578.60	8802.25	367.00	31458.80	37584.50	819.00	56105.40	28664.25	56449.75	53931.00	16074.00	48647.33
INDOLEPROPIONIC ACID	-	-	-	-	-	-	-	89742.57	-	-	-	-	9380.33	153.00	8770.67	190.75	16753.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	480.00	374131.25	556.00	297.40	240965.75	275.33	-	483081.00	-	-	-	-
INDOLEPYRUVIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	35678.67	10021.00	-	-	-	-	-	-	131565.33	104390.30	114899.50	154045.00	135749.60	73043.00	-	-	-	-	-	-	-	-	-	1699.50	2358.67	2987.67
INDOXYL SULFATE	-	-	-	-	-	-	79588.75	68400.43	-	1001679.29	1101837.33	1624.00	-	-	-	-	1049571.67	1618.25	7534113.33	13306.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	25912.00	-	-	293250.00	949.67	746.00
INOSINE	8272.00	10714.67	9034.60	10406.00	21257.50	10236.33	12563.33	7704.71	6207.75	-	-	-	143870.00	154730.50	174698.67	162614.25	304187.33	34232.00	-	-	314729.75	116555.40	253871.38	225395.92	60334.00	166081.88	7605.00	39302.40	4686.50	-	-	-	176307.60	106196.00	191369.25	100018.80	61187.50	186148.25	8537.25	20745.00	4965.50	-	-	-
ISETHIONIC ACID	12373.80	5519.67	4972.00	10772.50	4483.50	4079.67	-	-	-	53806.71	57431.17	73034.67	1141.33	15407.75	1560.00	12224.00	-	-	55842.33	217302.00	93156.25	86589.00	52788.38	81540.50	79539.00	36807.88	-	-	-	798787.33	903247.30	600362.38	69864.20	44511.00	38415.75	48830.80	45659.75	37231.25	-	-	-	129380.25	97347.67	104416.67
ISOVALERYLGLYCINE	-	-	-	-	-	-	39278.62	16643.14	24236.00	1848091.86	622849.33	1084049.00	-	-	-	-	72212.00	82944.50	3417437.00	6657477.25	-	-	-	-	-	-	227345.83	151952.00	178816.88	10112465.92	7873232.70	6728377.38	-	-	-	-	-	-	-	-	-	1863310.50	968827.33	2864725.00
KYNURENIC ACID	-	-	-	-	-	-	-	-	-	32716.57	32829.17	46652.00	-	-	-	-	14249.00	34129.75	149816.67	437790.75	-	-	-	-	-	-	54305.58	43516.20	58388.50	721715.86	469920.60	490482.25	-	-	-	-	-	-	7720.20	2934.00	6140.75	49169.50	46919.33	69943.33
LACTIC ACID	37970.60	97856.50	30074.40	45380.00	50685.50	43484.67	1058415.88	822598.86	795713.80	-	-	-	272116.33	81618.00	841124.33	76676.50	1837263.33	2533094.25	-	-	411183.25	296707.30	316797.00	363851.29	351358.60	310015.00	6246749.20	6447586.80	3606843.00	83911.00	83318.20	69811.75	110576.80	234627.50	86009.75	41217.40	122544.50	63630.00	795226.80	729779.00	847031.75	-	-	-
LAUROYLCARNITINE	15437.80	22901.17	120.00	25273.00	42757.00	-	-	-	-	-	-	-	21449.67	390.75	55555.67	308.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	500451.00	1002.00	5565.25	144636.60	1947.75	2134.75	-	-	-	-	-	-
LEUCINE-5,5,5-D3	26914.00	27330.67	32913.00	27231.00	29871.00	31738.33	48542.00	60718.86	61677.20	45635.86	48702.17	42612.67	150957.67	156950.00	152284.33	156358.25	221064.33	223292.75	188726.67	200421.75	370796.42	392436.70	418734.88	406529.33	375630.10	364302.38	478812.00	466247.10	479389.38	410520.00	430157.00	421237.75	344081.80	249740.00	326644.00	363222.60	247735.50	329186.00	51124.00	45537.25	45861.00	45336.50	26471.67	45471.00
LEUCINE, NORLEUCINE	197626.20	188845.67	147860.40	227391.00	252094.00	137610.33	443846.50	411431.00	549097.20	-	-	-	2042233.67	1911958.00	1382245.67	1037825.75	2196595.00	2151847.50	-	-	11256871.57	9075105.20	8712713.25	-	-	-	4754955.57	3680212.80	5517233.75	-	-	-	1994667.20	1403749.00	1973085.25	338340.20	294021.50	810194.50	460779.20	401328.50	427522.75	-	-	-
LEVULINIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	108042.14	91905.40	76005.25	19878.00	3497.25	1783.25	34263.80	3729.50	2809.00	-	-	-	-	-	-
LINOLEIC ACID	27095845.60	27446821.33	16004556.80	3721737.50	2684082.00	8994911.67	5261956.25	4734378.00	8741940.60	12556.29	9776.67	16760.00	23447524.00	32484908.50	24744591.00	31779707.00	22955540.67	51584662.00	21168.67	17613.00	111046424.00	116280424.00	92758630.00	92026942.00	90796758.00	87763466.75	67809746.40	50816841.60	56483995.00	-	-	-	84936913.60	82661856.00	58034990.00	33583350.00	61089184.00	30686657.50	26038045.60	27947756.50	33970688.00	3237.00	2858.00	3237.33
LYSINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	352321.00	185908.00	383159.50	282856.00	303462.60	227081.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	3530.25	534.00	2029.67
MALEAMIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	98596.33	34492.10	92144.12	84961.25	27493.40	70603.50	-	-	-	-	-	-	21847.80	27072.00	25616.25	14777.40	23906.25	24152.00	-	-	-	-	-	-
MALIC ACID	49411.80	83628.33	12539.40	31831.00	71178.50	8155.33	150971.75	113431.29	163640.20	32470.00	13241.00	3092.33	353072.00	39038.75	261043.67	26669.75	-	-	117060.67	13441.75	227691.14	2583736.20	218488.75	106938.75	934905.90	73825.75	5826245.92	4093652.70	4812896.50	325843.00	141596.90	158692.38	266108.40	69580.50	62606.75	210529.60	58828.00	32493.50	353330.60	362206.75	344528.00	17223.25	6515.00	5853.00
MALONIC ACID	10610.00	15498.67	4340.60	8872.50	13284.50	3488.67	-	-	-	-	-	-	5661.00	15419.75	5062.33	10778.00	-	-	-	-	95208.42	89195.30	52196.12	79416.58	56278.50	36971.50	-	-	-	-	-	-	64458.40	79824.00	41023.25	27244.20	61921.25	24589.75	-	-	-	-	-	-
MALTOTRIOSE, RAFFINOSE	415.80	349.00	86301.20	399.00	548.00	163417.67	-	-	-	-	-	-	14593.33	1412008.50	23258.00	1748209.50	-	-	4402.33	12824.75	5450204.25	209203.60	5266424.62	5581571.00	306387.70	7072376.75	-	-	-	108443.92	83755.00	100272.25	-	-	-	-	-	-	-	-	-	-	-	-
METHIONINE	17301.20	22415.50	6361.40	18678.00	20375.00	7496.00	36319.62	41136.29	37687.60	-	-	-	156262.33	70510.75	91735.00	52677.00	79784.67	144197.00	-	-	-	-	-	-	-	-	389076.71	173765.20	339498.75	-	-	-	123078.60	83417.00	110191.75	51678.80	46680.50	47137.50	41845.80	37029.25	37368.00	-	-	-
METHIONINE-METHYL-D3	-	-	-	-	-	-	15979.25	22785.00	22667.20	-	-	-	53670.00	52225.50	53370.00	57492.25	89569.00	75307.00	-	-	90269.57	94385.80	91206.50	-	-	-	124024.57	100765.60	132272.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
METHIONINE SULFOXIMINE	-	-	-	-	-	-	-	-	-	-	-	-	287044.00	177346.75	225207.67	251002.25	-	-	-	-	607909.86	691457.20	569867.00	583910.57	1290780.40	676907.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
METHYL BETA-GALACTOSIDE	127909.00	135534.17	89309.00	148818.50	157500.00	70661.33	-	-	-	19481.43	12468.50	32055.00	-	-	-	-	44761.33	24286.75	63032.00	57343.25	72120.67	1332380.20	616375.25	37238.25	2521299.10	1184856.25	182183.86	232889.80	230719.00	202162.20	434027.40	341249.50	921687.80	518168.75	536456.75	939851.40	515738.50	569273.00	-	-	-	23181.75	11024.00	17082.67
METHYL INDOLE-3-ACETATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9056.43	17903.60	8977.00	-	-	-	32614.14	21068.60	26820.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
METHYLMALONIC ACID, SUCCINIC ACID	124460.80	122664.83	3357.20	137429.50	242558.50	52838.00	147219.12	143214.43	174558.40	40568.57	37154.33	10630.33	-	-	-	-	-	-	193373.33	25726.00	60537.14	6818418.80	28735.50	151448.42	1212691.60	20611.25	-	-	-	107954.67	104353.80	139929.88	-	-	-	-	-	-	327309.00	312606.75	193894.75	47198.75	22247.67	13949.33
METHYL VANILLATE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9334.00	5193.00	4878.50	-	-	-	-	-	-	-	-	-	-	-	-
M-HYDROXYHIPPURIC ACID	-	-	-	-	-	-	-	-	-	8058.71	11789.33	11160.67	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-(2-FUROYL)GLYCINE	-	-	-	-	-	-	-	-	-	56880.43	55426.17	52774.67	-	-	-	-	-	-	91455.00	148111.25	-	-	-	-	-	-	-	-	-	275031.17	246135.20	160772.25	-	-	-	-	-	-	-	-	-	46044.00	24662.33	41303.00
N-(3-PHENYLPROPIONYL)GLYCINE	-	-	-	-	-	-	-	-	-	4472.71	153164.00	2872.33	-	-	-	-	10617.33	-	324592.33	2955.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1082.50	121107.67	1000.33
N-ACETYL-ALANINE	10333.20	9118.17	5085.00	9153.00	11593.00	3964.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	152569.14	210064.40	97473.75	-	-	-	-	-	-	86079.08	77249.50	71293.62	47984.40	29586.75	28843.00	53197.20	30158.00	20924.00	-	-	-	-	-	-
N-ACETYL-ASPARTIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	8143.33	3661.25	28717.67	11011.50	23035.42	26144.60	20674.88	31685.29	42156.40	27797.75	32871.80	35015.40	21982.00	54174.00	68201.80	50956.25	7803.40	99196.75	8421.25	7948.00	191385.25	6367.50	-	-	-	-	-	-
N-ACETYL-CYSTEINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	273835.86	254408.40	239677.25	-	-	-	-	-	-	-	-	-	-	-	-
N-ACETYL-GLUTAMIC ACID	9606.40	13497.67	548.40	10621.50	18615.00	316.00	-	-	-	23947.14	20237.67	10569.33	157521.00	3590.75	167820.00	6820.25	-	-	39186.00	25426.50	60039.00	36112.80	27592.25	43551.58	65794.00	21575.62	27422.80	26072.60	28371.75	127999.25	127211.30	131853.50	7306.20	82657.25	12086.25	31480.40	189187.25	12829.75	-	-	-	8616.25	10638.33	8874.33
N-ACETYLGLYCINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	37044.33	31410.75	-	-	-	-	-	-	-	-	-	61665.60	53979.80	49596.00	-	-	-	-	-	-	-	-	-	-	-	-
N-ACETYL-LEUCINE	-	-	-	-	-	-	14751.12	14022.43	17233.20	98318.14	64517.67	41022.67	6919.33	4835.25	18092.00	4307.00	67588.00	45797.00	79123.00	89521.25	-	-	-	-	-	-	191279.00	162813.20	161961.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-ACETYL-METHIONINE	55442.80	76441.33	22869.20	46373.50	79829.50	21398.33	-	-	-	88506.71	50946.50	24736.00	30922.33	139945.00	51088.00	141319.25	18141.33	20812.75	21787.00	57107.25	648713.42	603688.10	443582.62	648768.17	513301.60	249674.88	61242.20	51482.20	47314.50	102803.60	75194.00	82226.75	537858.40	547171.00	342511.75	547063.60	555571.00	349985.50	15760.00	11271.00	14008.75	16352.00	22212.00	24081.67
N-ACETYLMURAMIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	20535.00	1122.50	38219.33	876.25	-	-	-	-	-	-	-	4379.80	56355.40	4438.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-ACETYLNEURAMINATE	-	-	-	-	-	-	-	-	-	-	-	-	5319.33	13566.50	27103.00	15680.75	-	-	-	-	32617.60	27840.80	38117.25	80946.67	72121.80	86937.50	-	-	-	-	-	-	494248.80	32114.75	25240.50	809139.40	38312.25	41345.25	-	-	-	4586.00	2629.67	2763.00
N-ACETYL-PHENYLALANINE	-	-	-	-	-	-	19522.25	15972.71	23439.00	-	-	-	14707.67	8946.50	46298.00	8633.00	35367.33	36522.50	-	-	25245.00	41723.40	25157.75	28575.20	33526.20	21965.00	179457.60	230110.00	244981.25	-	-	-	36744.80	25456.75	20224.00	25820.40	24442.00	15214.00	-	-	-	-	-	-
N-ACETYL-SERINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	39379.67	50601.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-ACETYLTRYPTOPHAN	-	-	-	-	-	-	5574.38	5020.43	12182.80	-	-	-	-	-	-	-	22920.67	27810.50	-	-	-	-	-	36786.86	48293.20	26159.25	79192.80	84608.40	126640.50	-	-	-	32741.80	8397.25	7896.50	27221.60	8905.75	6476.25	10792.00	6982.50	9871.25	-	-	-
N-ALPHA-ACETYL-ASPARAGINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	231662.86	275631.00	147536.25	-	-	-	-	-	-	-	-	-	-	-	-
N-ALPHA-ACETYL-LYSINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14530400.29	13251560.40	16011019.75	93582.08	114204.10	78474.25	-	-	-	-	-	-	-	-	-	-	-	-
N-AMIDINO-ASPARTIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	90000.00	6156.00	122208.00	5654.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
N-BENZOYL-D5-GLYCINE	308999.40	222984.33	396153.00	369459.00	168131.50	344004.00	365442.88	446331.43	490569.80	216390.86	113148.50	217708.33	2962913.33	3180584.00	2995145.00	2585532.75	2333282.00	2363725.75	1687778.67	2279681.25	2509736.08	2590733.10	2202834.75	2408472.75	2122901.40	2276836.88	3139476.83	2664416.60	3178207.00	1853394.50	1230357.90	2231161.00	2299184.20	1014913.75	2332131.75	2085282.40	799184.50	2439315.75	483946.00	412283.00	426000.25	244452.75	58406.33	258240.67
N-BUTYRYLGLYCINE	-	-	-	-	-	-	13178.25	15290.14	18740.60	100834.00	90847.33	70680.67	-	-	-	-	33908.00	38967.00	802937.67	622246.25	-	-	-	-	-	-	89384.86	83758.20	105970.00	473100.50	432931.40	377737.12	-	-	-	-	-	-	15201.80	11549.00	13076.50	117112.50	80201.33	183027.00
N-(CINNAMOYL)GLYCINE	-	-	-	-	-	-	-	11176.57	110.00	14101.29	716320.00	11856.00	-	-	-	-	32396.33	245.75	854287.33	17246.25	-	-	-	-	-	-	11389.14	4078.40	9688.00	169465.00	109241.10	84849.38	1293.60	33042.75	514.00	631.00	30893.00	347.00	-	22060.75	-	7427.25	979252.33	9236.67
N-FORMYL-METHIONINE	-	-	-	-	-	-	19179.12	14112.57	12029.40	419137.43	242030.83	195170.33	45773.67	9713.25	42751.67	10519.25	20942.67	32373.75	55766.00	25643.25	32004.00	39326.60	18621.00	-	-	-	70311.40	45707.60	39496.50	1666167.20	703257.00	715828.75	60166.60	35366.75	18858.00	56032.40	37022.50	20584.25	17440.80	11127.00	20462.25	303056.00	181918.67	448421.67
NICOTINAMIDE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	32652.00	25601.00	30971.75	40304.57	47760.60	25053.50	-	-	-	-	-	-	-	-	-	-	-	-
NICOTINIC ACID, PICOLINIC ACID	8262.60	7320.33	2349.20	6471.00	9973.50	382.00	-	-	-	-	-	-	82153.33	1918.75	80345.67	1045.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
NORVALINE	69503.40	95563.33	67069.60	73324.00	96022.50	43007.33	-	-	-	-	-	-	-	-	-	-	-	-	-	-	2498415.29	1647059.60	961361.75	1237327.14	1092152.80	510828.50	599471.00	577942.20	669276.00	-	-	-	378215.20	577948.25	506729.00	88529.80	295851.00	162472.75	-	-	-	-	-	-
O-HYDROXYHIPPURIC ACID	-	-	-	-	-	-	-	-	-	214592.00	217947.67	202115.00	-	-	-	-	-	-	374094.00	433937.25	-	-	-	-	-	-	12819.00	3315.40	14094.00	1086224.92	718088.80	580272.62	-	-	-	-	-	-	-	-	-	145111.50	141588.00	146142.33
O-PHOSPHO-SERINE	-	-	-	-	-	-	-	-	-	-	-	-	19602.67	1346.75	57599.33	1094.50	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
OPHTHALMIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	13684.67	15769.75	20474.33	15841.25	-	-	-	-	-	-	-	68325.57	46635.20	67346.25	-	-	-	27203.43	30412.20	13816.25	-	-	-	-	-	-	-	-	-	-	-	-
ORNITHINE	-	-	-	-	-	-	-	-	-	-	-	-	64256.00	17003.00	77787.00	14357.25	-	-	-	-	75233.67	83546.80	58996.12	72500.50	121573.80	59535.88	126117.71	74474.40	121465.00	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
OROTIC ACID	-	-	-	-	-	-	-	-	-	10729.71	4791.50	9071.33	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12424.60	17574.80	15554.75	170170.43	268370.20	101067.00	-	-	-	-	-	-	-	-	-	10760.25	3408.00	14293.67
O-SUCCINYL-HOMOSERINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	36137.00	40567.80	39594.50	38789.60	46942.00	42181.50	-	-	-	11959.40	8094.80	8604.25	-	-	-	-	-	-	-	-	-	-	-	-
PALMITIC ACID	4528235.20	4286080.00	5066580.60	3030223.00	1391360.50	2022029.33	3908282.50	4275983.86	5363921.00	-	-	-	10574245.00	18882004.25	10433429.33	12159658.50	47583482.67	53639484.00	17118087.00	8072665.25	42968825.60	54139616.00	40400933.00	35689734.58	42776857.80	17476750.75	125391873.60	117780332.80	135604616.00	21501618.17	19925256.90	21742386.62	25899214.40	22099469.50	22033458.50	10366377.80	14896994.00	11700553.25	13873154.80	14211183.00	17315539.75	679015.25	658067.67	695326.00
PANTOTHENIC ACID	17431.80	26054.00	2626.20	13225.00	31062.50	1071.00	31850.75	48222.86	35242.80	156851.14	167838.33	163081.33	291236.00	3749.00	331771.33	4085.75	-	-	55051.00	304777.00	23257.71	35530.60	8920.25	-	-	-	62375.20	62257.00	48077.25	327890.20	264016.80	265149.00	28988.40	18217.00	4584.00	36370.80	18322.00	4704.00	38470.60	30250.25	26729.75	167400.25	42650.33	137385.33
P-CRESOL GLUCURONIDE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	36669.00	-	1416930.33	3734.75	-	-	-	-	-	-	-	-	-	25574.29	27376.00	13232.50	-	-	-	-	-	-	-	-	-	-	-	-
PENTANEDECANOIC ACID	1512587.80	1278827.33	35669.60	374083.00	278565.50	22916.67	40815.38	44284.29	52453.60	-	-	-	4274893.33	101641.75	3854953.67	122105.50	455165.33	443331.50	-	-	801227.71	1222303.80	676930.25	571052.14	702321.20	456208.50	1731470.14	1089733.80	1732278.75	-	-	-	10263963.00	632159.75	671239.25	1986272.80	733279.25	1011333.25	150593.60	120404.25	154003.50	8174.50	8534.00	8172.67
PETROSELINIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	12785526.33	18817386.50	13047722.33	11404399.00	-	-	239488.67	125253.00	21745988.40	35378580.80	19213505.00	23616968.58	16058458.70	9927675.75	35800607.60	43349079.20	50370944.00	1308142.17	838566.20	1557024.00	-	-	-	-	-	-	-	-	-	-	-	-
PHENYLACETIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	118678.00	81132.60	63632.75	-	-	-	-	-	-	-	-	-	-	-	-
PHENYLACETYL-GLUTAMINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	46726.43	40930.40	39408.75	-	-	-	30437.71	35087.80	21616.00	-	-	-	-	-	-	-	-	-	-	-	-
PHENYLACETYLGLYCINE	-	-	-	-	-	-	32805.88	31284.14	16880.80	1496130.00	1220611.67	742469.00	-	-	-	-	95741.33	26410.50	6452546.00	2499407.00	-	-	-	-	-	-	116336.00	145322.00	138287.75	4465367.00	3767966.20	3339909.50	-	-	-	-	-	-	-	-	-	-	-	-
PHENYLALANINE	90177.40	64622.83	69061.60	110349.00	68039.50	62685.33	142744.62	154868.57	204473.60	-	-	-	544835.00	483420.50	220253.00	276250.00	463402.67	483276.00	-	-	1160153.00	1072101.00	833009.25	1168925.17	1090159.40	611215.62	1240848.33	1067672.80	1204011.88	-	-	-	394493.00	-	502944.25	106701.00	-	168746.25	-	-	-	-	-	-
PHENYLALANINE-2,3,4,5,6-D5	28687.80	28375.67	40284.60	35842.50	27449.00	36038.00	49221.38	66629.00	71976.00	-	-	-	105695.33	126471.75	116786.00	122777.00	158860.00	152590.50	130292.67	142232.50	94126.40	82467.40	93871.00	195948.83	172270.90	188955.62	337769.50	323195.80	333899.00	251403.08	221469.60	248470.50	-	-	-	-	-	-	63522.20	49478.50	55391.25	-	-	-
PHOSPHO(ENOL)PYRUVIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5743.67	15294.25	-	-	-	-	-	-	-	-	-	36422.00	44819.20	14765.75	-	-	-	-	-	-	-	-	-	-	-	-
PHOSPHONOACETIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	64439.00	24586.00	70055.33	22357.50	-	-	-	-	32309.80	46689.60	39037.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
PHTHALIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	8615.40	7559.25	32153.50	11329.80	7906.75	16620.25	-	-	-	-	-	-
PHYTIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	16733.75	20251.60	19365.50	19109.71	19688.60	28076.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
PIPECOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	150998.86	184392.60	89670.50	-	-	-	-	-	-	-	-	-	-	-	-
PROLINE	85057.20	11244.17	74897.60	61565.50	13264.50	34051.67	-	-	-	-	-	-	123670.00	170500.50	108350.00	118136.00	91289.00	126744.50	-	-	835315.08	1300537.50	843710.75	1248174.00	463350.20	686234.00	255137.25	162237.30	228375.88	96937.29	98826.40	62392.75	390506.40	23386.25	336975.00	128529.60	10107.75	129155.25	-	-	-	-	-	-
PYROGALLOL	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	60182.67	35251.00	-	-	-	-	-	-	-	-	-	136920.50	108309.10	55874.50	-	-	-	-	-	-	-	-	-	-	-	-
PYROGLUTAMIC ACID	31550.00	36553.83	20834.00	25903.00	40107.00	13934.00	-	-	-	48478.29	31827.83	34434.33	53999.33	32079.75	63250.67	19086.50	26892.00	28014.75	105124.00	84498.25	100843.83	171150.60	89283.62	91423.58	100606.70	87964.38	72895.17	49709.90	71086.12	359976.08	358106.70	203405.88	35437.40	34524.50	43937.00	25081.80	22697.25	23608.50	-	-	-	48060.75	19265.33	42410.00
PYRUVIC ACID	-	-	-	-	-	-	31566.00	28382.71	27940.60	27565.29	18071.17	2084.67	-	-	-	-	59777.00	44864.50	-	-	198448.29	213550.60	153737.75	90921.00	114366.40	72584.00	581378.50	464153.70	507684.62	-	-	-	-	-	-	-	-	-	-	-	-	23525.75	19879.00	26403.00
QUINIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	8114.00	32196.75	12374.67	41527.75	-	-	22508.67	68427.50	-	-	-	37950.71	76558.60	151598.75	-	-	-	258316.14	339671.20	240046.25	89412.60	93190.75	60305.25	104437.80	96347.00	65175.50	-	-	-	25876.00	20959.33	20705.00
REICHSTEIN^S SUBSTANCE S	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	466691.43	246376.00	219495.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
RETINOIC ACID	8523.00	8271.83	1539.00	126464.50	9628.50	775.67	-	-	-	-	-	-	8910.67	747056.00	7986.33	1696439.50	11206.33	19303.75	-	-	944851.92	643944.40	64355.38	1028914.08	839812.30	102800.25	56894.25	50855.10	70229.12	-	-	-	196165.00	45310.00	462409.50	98494.00	30403.25	382014.25	-	-	-	-	-	-
RIBOSE 5-PHOSPHATE	-	-	-	-	-	-	-	-	-	-	-	-	2355.33	398.00	4601.67	351.75	9151.33	10307.00	-	-	-	-	-	-	-	-	65192.08	72649.50	57203.75	-	-	-	-	-	-	-	-	-	5454.00	8426.75	4491.50	-	-	-
SEBACIC ACID	-	-	-	-	-	-	177451.12	143233.14	273778.20	-	-	-	-	-	-	-	307535.67	319349.50	48039.33	12006.75	-	-	-	-	-	-	1949837.67	1635450.20	2021194.25	-	-	-	-	-	-	-	-	-	172102.20	181698.75	204609.25	3789.00	1870.33	3022.33
SERINE	11576.40	14032.83	18794.20	15333.00	16344.50	12551.00	-	-	-	-	-	-	55214.67	72898.75	29307.33	43850.50	-	-	-	-	243911.17	60030.80	223364.12	185727.67	59951.20	139157.75	-	-	-	24870.00	25976.60	19555.00	73542.40	58481.25	103397.50	29834.60	32402.25	48133.75	-	-	-	-	-	-
SHIKIMIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	15927.20	12106.25	8268.25	31805.00	13612.25	10404.25	-	-	-	-	-	-
SN-GLYCERO-3-PHOSPHOCHOLINE	-	-	-	-	-	-	-	-	-	-	-	-	3959.67	25819.50	10262.00	30887.75	-	-	-	-	-	-	-	-	-	-	-	-	-	35009.71	43040.00	29567.00	-	-	-	-	-	-	-	-	-	-	-	-
STACHYOSE	114.50	123.00	94888.80	-	131.00	98226.67	-	-	-	-	-	-	-	-	-	-	-	-	-	-	3448446.92	1691419.00	3060356.38	4086691.42	2275662.60	4306433.62	-	-	-	52359.83	45659.40	47587.25	-	-	-	-	-	-	-	-	-	-	-	-
SUBERIC ACID	-	-	-	-	-	-	17565.00	15250.14	24775.20	-	-	-	-	-	-	-	59065.00	66105.25	14623.33	12785.25	-	-	-	-	-	-	339227.83	287992.80	371033.75	97857.50	69587.20	79121.00	20267.00	11620.75	4496.75	14105.80	6171.00	6064.00	14533.20	16105.00	17784.50	5313.75	1522.67	6492.00
SUBERYL GLYCINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	13530.67	2703.00	-	-	-	-	-	-	-	-	-	27011.67	32737.60	17666.00	-	-	-	-	-	-	-	-	-	-	-	-
SUCRALOSE	-	-	-	-	-	-	-	-	-	-	-	-	-	6276.50	6903.00	15850.00	-	-	-	-	12084.00	14502.20	12944.00	15242.29	21213.40	17105.25	-	-	-	-	-	-	34916.60	9496.25	10511.25	42273.20	11030.75	13129.00	-	-	-	-	-	-
SYRINGIC ACID	4008.40	6087.17	1118.00	3275.00	6737.50	645.50	-	-	-	13120.57	12658.67	7787.33	-	-	-	-	-	-	40842.33	23371.75	-	-	-	-	-	-	-	-	-	56155.86	42893.00	26801.00	-	-	-	-	-	-	-	-	-	-	-	-
TARTARIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	607.67	265.00	631.00
TAURINE	17050.40	21194.00	7779.80	14179.00	30318.50	10598.33	-	-	-	245303.29	166526.00	196007.67	77571.00	40496.25	59939.33	30583.00	111008.33	127120.25	1189505.00	1020134.50	142844.67	202841.20	197380.75	76178.14	180778.00	85877.25	349041.92	310653.00	165316.12	2653345.92	2797712.70	2148704.00	93214.80	107970.50	44015.50	52764.80	39229.50	33059.50	-	-	-	297706.25	196604.67	409581.33
TAUROCHENODEOXYCHOLIC ACID	14549.80	13145.17	12499.40	22626.00	30988.50	12762.67	14534.83	2406.00	68409.40	-	-	-	14190.33	51770.50	1800.50	121497.75	100517.33	2223925.50	-	-	206495.08	231476.70	107850.38	407602.50	596280.50	139434.00	1186246.83	1116761.60	214137.50	-	-	-	122106.80	98261.25	67501.50	195434.80	225344.75	87455.50	-	-	-	-	-	-
TAUROCHOLIC ACID	159874.40	235171.50	97373.00	149519.50	421430.00	91919.00	384073.25	55970.57	1278142.00	-	-	-	7491.00	753185.25	16091.50	1218828.25	157788.67	16578683.75	-	-	688429.75	940149.20	566770.38	2370360.33	2538283.10	877635.75	1224366.20	97172.40	744199.75	12504.14	10640.20	13972.25	1117246.80	900483.00	533639.75	1858232.00	2412756.25	838694.75	2189235.00	1923194.50	248522.00	-	-	-
TAUROLITHOCHOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	6027.57	5350.80	2086.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
TAUROURSODEOXYCHOLIC ACID	16252.60	15693.00	15185.60	26340.50	28674.00	14234.67	50593.86	23195.00	255963.40	-	-	-	1161.33	56295.50	872.00	118908.50	5582.33	2500477.50	-	-	193126.50	230148.90	113233.50	458542.42	496814.20	141695.88	3951436.00	1750968.20	1347316.17	-	-	-	140935.80	89919.00	61139.50	178592.60	203869.50	83698.00	503691.00	245708.33	130974.00	-	-	-
TERPINEN-4-OL	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5195.71	2295.80	4518.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
THIOACETIC ACID	239071.20	226307.50	243118.60	238357.50	227411.50	179648.33	34545.38	52313.14	58003.40	117971.57	138484.83	109087.00	30910.33	9145.25	21374.00	8110.00	14868.67	15094.00	-	-	478085.57	466102.20	399135.75	390452.86	480143.00	344021.50	-	-	-	-	-	-	-	-	-	-	-	-	155164.60	181047.75	163050.50	102596.75	99372.00	93091.33
THYMIDINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	52048.71	15846.80	72554.75	61875.57	4701.00	90414.75	20314.57	19098.60	17545.50	39084.71	50447.80	27699.50	12514.20	4654.00	20171.75	6896.40	2174.75	18929.00	-	-	-	-	-	-
THYMINE	-	-	-	-	-	-	-	-	-	-	-	-	22436.33	2037.25	58099.33	1288.00	-	-	-	-	6058.71	27101.60	6562.00	6455.86	41292.00	4305.75	94161.00	69572.20	88805.75	181281.00	165888.60	112194.00	16390.40	3239.00	1364.00	17476.20	5076.75	1211.75	-	-	-	-	-	-
TIGLYL GLYCINE	-	-	-	-	-	-	-	-	-	75148.43	73261.83	51545.00	-	-	-	-	-	-	61477.67	87801.25	-	-	-	-	-	-	15976.60	13147.20	14096.00	275292.20	169919.00	186991.75	-	-	-	-	-	-	-	-	-	57246.25	55197.67	74029.00
TRICARBALLYLIC ACID	-	-	-	-	-	-	12074.00	9836.86	9858.40	-	-	-	65145.00	37959.00	66048.00	36556.75	11556.00	26367.50	-	-	254109.00	294328.00	192684.75	245065.71	245555.60	182957.50	646094.86	489803.00	633720.00	-	-	-	-	-	-	-	-	-	9482.60	9890.75	12916.00	-	-	-
TRIDECANOIC ACID	1635406.20	1542269.83	1711404.60	1124961.00	592959.50	1075196.00	735104.50	974954.00	1037539.00	155884.43	60741.33	57045.00	1379237.67	2304045.25	793824.67	1440657.75	6153189.67	6220352.00	4211091.00	820352.50	8469084.50	8175111.60	6844953.00	6236967.67	4096616.20	4991408.62	19890430.50	17375249.30	17470814.75	5969675.33	4226777.30	2717332.50	44298659.20	41436709.00	45652425.00	39910252.80	42839180.00	42962334.00	2693067.40	2455811.25	2431758.50	252719.75	258207.00	363935.67
TRYPTOPHAN	29427.80	35745.83	39980.00	43284.00	46109.00	39785.33	287971.00	280668.86	436380.40	-	-	-	162190.00	297159.75	95013.33	162995.00	656825.33	899483.75	-	-	1855194.67	1422504.80	1185229.25	1318443.33	1051533.60	627886.12	3161630.50	2762907.20	3422458.50	49745.71	43010.60	24338.25	459575.40	320332.25	483633.50	130704.60	99883.25	179745.25	401570.60	316786.75	368410.00	-	-	-
TRYPTOPHAN-2,4,5,6,7-D5	57648.80	64183.33	76736.80	60729.00	69796.00	70110.67	90960.75	117660.86	123354.80	73914.43	77175.00	74249.33	248332.67	273817.50	191343.00	266041.50	380568.67	392859.00	310024.00	362869.75	718084.17	658761.20	664964.38	724659.08	625102.20	678050.88	1031791.33	986553.30	953993.75	955344.00	914711.20	973350.38	491757.40	487994.25	479040.25	530985.80	413829.75	513874.75	109455.00	99665.50	95449.75	78192.00	79606.67	81490.33
TYROSINE	-	-	-	-	-	-	76880.75	75012.86	107405.80	-	-	-	370971.67	244699.25	277124.00	182223.50	253476.33	249181.25	-	-	683029.00	249431.20	661074.00	671158.29	137692.20	426808.00	892946.14	734060.20	869794.75	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
URACIL	-	-	-	-	-	-	-	-	-	19392.86	11062.50	21467.00	109171.00	3747.75	116846.00	2588.75	-	-	-	-	-	-	-	25416.43	43883.20	24554.75	144765.86	148457.20	144372.25	103264.20	98523.80	67206.00	-	-	-	-	-	-	-	-	-	15887.75	8178.67	23195.67
URIC ACID	-	-	-	-	-	-	19924.25	24835.14	26446.40	40787.57	22312.00	35408.67	-	-	-	-	25903.67	136252.75	84036.00	71926.75	81475.00	24844.80	53031.75	9971.86	75979.40	52902.75	356086.40	268548.60	179510.00	363589.75	400208.10	230853.62	11795.00	14430.75	29520.50	18537.80	17147.50	23252.50	30950.80	28520.50	26053.50	35898.00	19273.67	42246.33
URIDINE	-	-	-	-	-	-	-	-	-	-	-	-	10135.00	15233.25	13767.00	18008.00	10703.33	20258.25	-	-	35578.43	5305.20	41586.25	35952.71	8647.60	42618.25	65356.42	54391.90	61130.38	-	-	-	10660.60	2895.75	23866.00	8191.60	1507.25	22873.75	-	-	-	-	-	-
URSOCHOLIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	1856168.67	1922.25	2015447.67	2632.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
VALINE	-	-	-	-	-	-	-	-	-	-	-	-	359578.67	243639.75	198503.67	93019.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
VALPROIC ACID	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	23609.57	19618.60	20964.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
VANILLIN	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9031.00	11333.00	-	-	-	-	-	-	-	-	-	43444.80	18159.80	11008.25	-	-	-	-	-	-	-	-	-	-	-	-
XANTHINE	-	-	-	-	-	-	-	-	-	790.00	5977.17	385.33	80069.33	11413.75	102049.33	11866.50	19606.00	14874.00	52920.67	23984.25	-	-	-	58023.86	95934.00	87599.50	-	-	-	-	-	-	30711.60	9582.25	24754.50	35709.60	6824.50	22257.75	-	-	-	-	-	-
XANTHOSINE	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1371.33	7030.25	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
XANTHURENIC ACID	-	-	-	-	-	-	-	-	-	61494.57	69052.33	74877.33	6582.33	1025.50	8964.33	904.00	-	-	196359.67	321770.25	-	-	-	-	-	-	-	-	-	541165.40	357124.40	275281.75	-	-	-	-	-	-	-	-	-	88427.00	90954.67	75016.00

Factors:

F1	Experiment:community \| Sample_type:caecal \| Colonization:Bt_Ca_Er_Pd_Et
F2	Experiment:community \| Sample_type:caecal \| Colonization:Cs_Bt_Ca_Er_Pd_Et
F3	Experiment:community \| Sample_type:caecal \| Colonization:germ-free
F4	Experiment:community \| Sample_type:feces \| Colonization:Bt_Ca_Er_Pd_Et
F5	Experiment:community \| Sample_type:feces \| Colonization:Cs_Bt_Ca_Er_Pd_Et
F6	Experiment:community \| Sample_type:feces \| Colonization:germ-free
F7	Experiment:community \| Sample_type:serum \| Colonization:Bt_Ca_Er_Pd_Et
F8	Experiment:community \| Sample_type:serum \| Colonization:Cs_Bt_Ca_Er_Pd_Et
F9	Experiment:community \| Sample_type:serum \| Colonization:germ-free
F10	Experiment:community \| Sample_type:urine \| Colonization:Bt_Ca_Er_Pd_Et
F11	Experiment:community \| Sample_type:urine \| Colonization:Cs_Bt_Ca_Er_Pd_Et
F12	Experiment:community \| Sample_type:urine \| Colonization:germ-free
F13	Experiment:conventional \| Sample_type:caecal \| Colonization:conventional
F14	Experiment:conventional \| Sample_type:caecal \| Colonization:germ-free
F15	Experiment:conventional \| Sample_type:feces \| Colonization:conventional
F16	Experiment:conventional \| Sample_type:feces \| Colonization:germ-free
F17	Experiment:conventional \| Sample_type:serum \| Colonization:conventional
F18	Experiment:conventional \| Sample_type:serum \| Colonization:germ-free
F19	Experiment:conventional \| Sample_type:urine \| Colonization:conventional
F20	Experiment:conventional \| Sample_type:urine \| Colonization:germ-free
F21	Experiment:mono-colonization_2 \| Sample_type:caecal \| Colonization:As
F22	Experiment:mono-colonization_2 \| Sample_type:caecal \| Colonization:Cp
F23	Experiment:mono-colonization_2 \| Sample_type:caecal \| Colonization:germ-free
F24	Experiment:mono-colonization_2 \| Sample_type:feces \| Colonization:As
F25	Experiment:mono-colonization_2 \| Sample_type:feces \| Colonization:Cp
F26	Experiment:mono-colonization_2 \| Sample_type:feces \| Colonization:germ-free
F27	Experiment:mono-colonization_2 \| Sample_type:serum \| Colonization:As
F28	Experiment:mono-colonization_2 \| Sample_type:serum \| Colonization:Cp
F29	Experiment:mono-colonization_2 \| Sample_type:serum \| Colonization:germ-free
F30	Experiment:mono-colonization_2 \| Sample_type:urine \| Colonization:As
F31	Experiment:mono-colonization_2 \| Sample_type:urine \| Colonization:Cp
F32	Experiment:mono-colonization_2 \| Sample_type:urine \| Colonization:germ-free
F33	Experiment:mono-colonization \| Sample_type:caecal \| Colonization:Bt
F34	Experiment:mono-colonization \| Sample_type:caecal \| Colonization:Cs
F35	Experiment:mono-colonization \| Sample_type:caecal \| Colonization:germ-free
F36	Experiment:mono-colonization \| Sample_type:feces \| Colonization:Bt
F37	Experiment:mono-colonization \| Sample_type:feces \| Colonization:Cs
F38	Experiment:mono-colonization \| Sample_type:feces \| Colonization:germ-free
F39	Experiment:mono-colonization \| Sample_type:serum \| Colonization:Bt
F40	Experiment:mono-colonization \| Sample_type:serum \| Colonization:Cs
F41	Experiment:mono-colonization \| Sample_type:serum \| Colonization:germ-free
F42	Experiment:mono-colonization \| Sample_type:urine \| Colonization:Bt
F43	Experiment:mono-colonization \| Sample_type:urine \| Colonization:Cs
F44	Experiment:mono-colonization \| Sample_type:urine \| Colonization:germ-free