#METABOLOMICS WORKBENCH nicholas_lesner_20220823_191746 DATATRACK_ID:3429 STUDY_ID:ST002316 ANALYSIS_ID:AN003783 PROJECT_ID:PR001484
VERSION             	1
CREATED_ON             	October 14, 2022, 10:33 am
#PROJECT
PR:PROJECT_TITLE                 	Differential requirements for mitochondrial electron transport chain components
PR:PROJECT_TITLE                 	in the adult murine liver
PR:PROJECT_SUMMARY               	Mitochondrial electron transport chain (ETC) dysfunction due to mutations in the
PR:PROJECT_SUMMARY               	nuclear or mitochondrial genome is a common cause of metabolic disease in
PR:PROJECT_SUMMARY               	humans, and displays striking tissue specificity depending on the affected gene.
PR:PROJECT_SUMMARY               	The mechanisms underlying tissue specific phenotypes are not understood. Complex
PR:PROJECT_SUMMARY               	I (cI) is classically considered the entry point for electrons into the ETC, and
PR:PROJECT_SUMMARY               	in vitro experiments indicate that cI is required for basal respiration and
PR:PROJECT_SUMMARY               	maintenance of the NAD+/NADH ratio, an indicator of cellular redox status. This
PR:PROJECT_SUMMARY               	finding has largely not been tested in vivo. Here, we report that mitochondrial
PR:PROJECT_SUMMARY               	complex I (cI) is dispensable for homeostasis of the adult mouse liver; animals
PR:PROJECT_SUMMARY               	with hepatocyte-specific loss of cI function display no overt phenotypes or
PR:PROJECT_SUMMARY               	signs of liver damage, and maintain liver function, redox and oxygen status.
PR:PROJECT_SUMMARY               	Further analysis of cI-deficient livers did not reveal significant proteomic or
PR:PROJECT_SUMMARY               	metabolic changes, indicating little to no compensation is required in the
PR:PROJECT_SUMMARY               	setting of complex I loss. In contrast, complex IV (cIV) dysfunction in adult
PR:PROJECT_SUMMARY               	hepatocytes results in decreased liver function, impaired oxygen handling,
PR:PROJECT_SUMMARY               	steatosis, and liver damage, accompanied by significant metabolomic and
PR:PROJECT_SUMMARY               	proteomic perturbations. Metabolomic analysis suggests that the electron
PR:PROJECT_SUMMARY               	transfer flavoprotein complex constitutes a major route for electron entry into
PR:PROJECT_SUMMARY               	the hepatic ETC. Our results support a model whereby complex I loss is tolerated
PR:PROJECT_SUMMARY               	in the mouse liver because hepatocytes use alternative electron donors to fuel
PR:PROJECT_SUMMARY               	the mitochondrial ETC.
PR:INSTITUTE                     	The University of Texas Southwestern Medical Center at Dallas
PR:DEPARTMENT                    	Children's Research Institute
PR:LABORATORY                    	Prashant Mishra
PR:LAST_NAME                     	Lesner
PR:FIRST_NAME                    	Nicholas
PR:ADDRESS                       	6000 Harry Hines BLVD
PR:EMAIL                         	nicholas.lesner@pennmedicine.upenn.edu
PR:PHONE                         	2146483784
#STUDY
ST:STUDY_TITLE                   	Differential requirements for mitochondrial electron transport chain components
ST:STUDY_TITLE                   	in the adult murine liver - Untargeted Metabolomics (qTOF)
ST:STUDY_SUMMARY                 	Wild-type and knockout mice (Ndufa9 and Cox10) livers were harvested on liquid
ST:STUDY_SUMMARY                 	nitrogen. Samples were crushed on liquid nitrogen, lysed in 80% ACN, and
ST:STUDY_SUMMARY                 	immediately injected onto the QE.
ST:INSTITUTE                     	The University of Texas Southwestern Medical Center at Dallas
ST:DEPARTMENT                    	Children's Research Institute
ST:LABORATORY                    	Prashant Mishra
ST:LAST_NAME                     	Lesner
ST:FIRST_NAME                    	Nicholas
ST:ADDRESS                       	6000 Harry Hines BLVD
ST:EMAIL                         	nicholas.lesner@pennmedicine.upenn.edu
ST:NUM_GROUPS                    	8
ST:TOTAL_SUBJECTS                	60
ST:PHONE                         	2146483784
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Genotype:Cox10f/f	RAW_FILE_NAME=100R
SUBJECT_SAMPLE_FACTORS           	-	2	Genotype:Cox10f/f	RAW_FILE_NAME=101N
SUBJECT_SAMPLE_FACTORS           	-	3	Genotype:Cox10f/f	RAW_FILE_NAME=101R
SUBJECT_SAMPLE_FACTORS           	-	4	Genotype:Cox10f/f	RAW_FILE_NAME=101L
SUBJECT_SAMPLE_FACTORS           	-	5	Genotype:Cox10f/f	RAW_FILE_NAME=108N
SUBJECT_SAMPLE_FACTORS           	-	6	Genotype:cox10-/-	RAW_FILE_NAME=100N
SUBJECT_SAMPLE_FACTORS           	-	7	Genotype:cox10-/-	RAW_FILE_NAME=100L
SUBJECT_SAMPLE_FACTORS           	-	8	Genotype:cox10-/-	RAW_FILE_NAME=100B
SUBJECT_SAMPLE_FACTORS           	-	9	Genotype:cox10-/-	RAW_FILE_NAME=109R
SUBJECT_SAMPLE_FACTORS           	-	10	Genotype:cox10-/-	RAW_FILE_NAME=109L
SUBJECT_SAMPLE_FACTORS           	-	11	Genotype:cox10-/-	RAW_FILE_NAME=109B
SUBJECT_SAMPLE_FACTORS           	-	12	Genotype:ndufa9f/f	RAW_FILE_NAME=183N
SUBJECT_SAMPLE_FACTORS           	-	13	Genotype:ndufa9f/f	RAW_FILE_NAME=183L
SUBJECT_SAMPLE_FACTORS           	-	14	Genotype:ndufa9f/f	RAW_FILE_NAME=184N
SUBJECT_SAMPLE_FACTORS           	-	15	Genotype:ndufa9f/f	RAW_FILE_NAME=185N
SUBJECT_SAMPLE_FACTORS           	-	16	Genotype:ndufa9f/f	RAW_FILE_NAME=185L
SUBJECT_SAMPLE_FACTORS           	-	17	Genotype:ndufa9f/f	RAW_FILE_NAME=186N
SUBJECT_SAMPLE_FACTORS           	-	18	Genotype:ndufa9-/-	RAW_FILE_NAME=183R
SUBJECT_SAMPLE_FACTORS           	-	19	Genotype:ndufa9-/-	RAW_FILE_NAME=183B
SUBJECT_SAMPLE_FACTORS           	-	20	Genotype:ndufa9-/-	RAW_FILE_NAME=183RR
SUBJECT_SAMPLE_FACTORS           	-	21	Genotype:ndufa9-/-	RAW_FILE_NAME=185R
SUBJECT_SAMPLE_FACTORS           	-	22	Genotype:ndufa9-/-	RAW_FILE_NAME=185B
SUBJECT_SAMPLE_FACTORS           	-	23	Genotype:ndufa9-/-	RAW_FILE_NAME=186B
#COLLECTION
CO:COLLECTION_SUMMARY            	Liver was frozen on liqN2. Liver was crushed on liqN2, and metabolites extracted
CO:COLLECTION_SUMMARY            	with 80% meOH. MeOH was dried, and samples resuspended in MPA and injected onto
CO:COLLECTION_SUMMARY            	a qTOF.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	8 weeks post AAV injection the mouse liver was pulverized, metabolites extracted
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	80% methanol containing metabolites was dried overnight in a speedvac. Dried
SP:SAMPLEPREP_SUMMARY            	pellets were derivatized using methoxyamine and MTBSTFA. Samples were
SP:SAMPLEPREP_SUMMARY            	immediately injected.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Data acquisition was performed by reverse-phase chromatography on a 1290 UHPLC
CH:CHROMATOGRAPHY_SUMMARY        	liquid chromatography (LC) system interfaced to a high-resolution mass
CH:CHROMATOGRAPHY_SUMMARY        	spectrometry (HRMS) 6550 iFunnel Q-TOF mass spectrometer (MS) (Agilent
CH:CHROMATOGRAPHY_SUMMARY        	Technologies, CA). The MS was operated in both positive and negative (ESI+ and
CH:CHROMATOGRAPHY_SUMMARY        	ESI-) modes. Analytes were separated on an Acquity UPLC® HSS T3 column (1.8
CH:CHROMATOGRAPHY_SUMMARY        	μm, 2.1 x 150 mm, Waters, MA). The column was kept at room temperature. Mobile
CH:CHROMATOGRAPHY_SUMMARY        	phase A composition was 0.1% formic acid in water and mobile phase B composition
CH:CHROMATOGRAPHY_SUMMARY        	was 0.1% formic acid in 100% ACN. The LC gradient was 0 min: 1% B; 5 min: 5% B;
CH:CHROMATOGRAPHY_SUMMARY        	15 min: 99% B; 23 min: 99% B; 24 min: 1% B; 25 min: 1% B. The flow rate was 250
CH:CHROMATOGRAPHY_SUMMARY        	μL min-1. The sample injection volume was 5 μL. ESI source conditions were
CH:CHROMATOGRAPHY_SUMMARY        	set as follows: dry gas temperature 225 °C and flow 18 L min-1,
CH:CHROMATOGRAPHY_SUMMARY        	fragmentor voltage 175 V, sheath gas temperature 350 °C and flow
CH:CHROMATOGRAPHY_SUMMARY        	12 L min-1, nozzle voltage 500 V, and capillary voltage +3500 V in positive
CH:CHROMATOGRAPHY_SUMMARY        	mode and −3500 V in negative. The instrument was set to acquire over the full
CH:CHROMATOGRAPHY_SUMMARY        	m/z range of 40–1700 in both modes, with the MS acquisition rate of 1 spectrum
CH:CHROMATOGRAPHY_SUMMARY        	s-1 in profile format. Raw data files were processed using Profinder B.08.00 SP3
CH:CHROMATOGRAPHY_SUMMARY        	software (Agilent Technologies, CA) with an in-house database containing
CH:CHROMATOGRAPHY_SUMMARY        	retention time and accurate mass information on 600 standards from Mass
CH:CHROMATOGRAPHY_SUMMARY        	Spectrometry Metabolite Library (IROA Technologies, MA) which was created under
CH:CHROMATOGRAPHY_SUMMARY        	the same analysis conditions. The in-house database matching parameters were
CH:CHROMATOGRAPHY_SUMMARY        	mass tolerance 10 ppm; retention time tolerance 0.5 min. Peak integration
CH:CHROMATOGRAPHY_SUMMARY        	result was manually curated in Profinder for improved consistency
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	Waters Acquity UPLC HSS T3 (1.8 x 2.1 x 150)
CH:FLOW_GRADIENT                 	0 min: 1% B; 5 min: 5% B; 15 min: 99% B; 23 min: 99% B; 24 min: 1% B; 25 min: 1%
CH:FLOW_GRADIENT                 	B
CH:FLOW_RATE                     	250 uL/min
CH:SOLVENT_A                     	0.1% Formic Acid in water
CH:SOLVENT_B                     	0.1% Formic Acid in ACN
CH:INJECTION_TEMPERATURE         	37
CH:SAMPLE_INJECTION              	5 uL
CH:CHROMATOGRAPHY_COMMENTS       	The LC gradient was 0 min: 1% B; 5 min: 5% B; 15 min: 99% B; 23 min: 99% B; 24
CH:CHROMATOGRAPHY_COMMENTS       	min: 1% B; 25 min: 1% B.
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The MS was operated in both positive and negative (ESI+ and ESI-) modes. Raw
MS:MS_COMMENTS                   	data files were processed using Profinder B.08.00 SP3 software (Agilent
MS:MS_COMMENTS                   	Technologies, CA) with an in-house database containing retention time and
MS:MS_COMMENTS                   	accurate mass information on 600 standards from Mass Spectrometry Metabolite
MS:MS_COMMENTS                   	Library (IROA Technologies, MA) which was created under the same analysis
MS:MS_COMMENTS                   	conditions. The in-house database matching parameters were mass tolerance
MS:MS_COMMENTS                   	10 ppm; retention time tolerance 0.5 min. Peak integration result was
MS:MS_COMMENTS                   	manually curated in Profinder for improved consistency
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	area
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	21	22	23
Factors	Genotype:Cox10f/f	Genotype:Cox10f/f	Genotype:Cox10f/f	Genotype:Cox10f/f	Genotype:Cox10f/f	Genotype:cox10-/-	Genotype:cox10-/-	Genotype:cox10-/-	Genotype:cox10-/-	Genotype:cox10-/-	Genotype:cox10-/-	Genotype:ndufa9f/f	Genotype:ndufa9f/f	Genotype:ndufa9f/f	Genotype:ndufa9f/f	Genotype:ndufa9f/f	Genotype:ndufa9f/f	Genotype:ndufa9-/-	Genotype:ndufa9-/-	Genotype:ndufa9-/-	Genotype:ndufa9-/-	Genotype:ndufa9-/-	Genotype:ndufa9-/-
(3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-12-OXOCHOLAN-24-OIC ACID	2923939.778	87209.852	255911.0405	68127.916	104425.564	23435948.09	36339198.22	19607956.62	42943090.01	42396044.39	48056482.26	1252.576	26619.164	5867.549	7903.712	28841.432	9648.1305	2448.473	2075.018	62258.8025	3739.822	904.9405	12077.6915
[(3R)-3-Hydroxydodecanoyl]-L-carnitine	60156.45213	65844.77882	41030.76579	130074.398	69118.19131	98335.66479	94350.20597	358853.3462	121109.6796	62822.10159	397969.9545												
[(3R)-3-Hydroxyhexadecanoyl]-L-carnitine	9334.867931	25722.12024	249029.19	44663.61835	8965.728696	233343.0488	360834.9132	593929.914	143059.2514	96851.5462	306924.5548												
1-METHYL-L-HISTIDINE	100307.7421	43349.099	66708.39859	65072.3906	84765.81743	50873.30819	34714.65295	47589.18373	76146.00522	66681.27734	108296.0404	5133.124487	4782.628795	3486.003997	3791.707465	3144.043099	2850.120029	2936.462932	2751.461164	2677.557499	4456.900884	6077.268693	6062.051337
1-METHYLADENOSINE	258066.8372	370073.8078	533606.7482	401433.974	612554.2257	294242.5557	125033.3448	459855.1058	114073.0213	127527.4851	116751.78												
10-HYDROXYDECANOATE												1683.461871	1682.827428	1384.434588	2619.377289	0	2230.51886	1766.273587	1510.27364	1497.138563	2291.512486	811.2401817	1065.730916
10-Hydroxydecanoic acid												1688.990671	1683.530714	1382.800456	2624.159023	666.285	2069.7939	1762.531272	1495.121089	1494.535923	2291.69109	734.3594613	1062.747716
10-Undecenoic acid	10509.7375	17247.7365	10432.4825	17097.491	9942.951	3754.69	4680.9915	14863.8285	23189.1385	10182.9665	27987.206												
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE	73482.85362	46281.32302	76194.05341	40468.54784	57338.73347	14417.01031	35818.27376	44124.59152	36240.01821	52003.00046	50108.25844												
2-Ethyl-2-hydroxybutyric acid	40521.07	55809.806	63530.876	58450.1045	42473.683	57195.847	56903.2085	27348.958	62229.263	67767.1865	64816.838	1148.135	956.215	736.9245	3761.689	1186.2885	2186.6245	2902.9415	1753.28	1171.5215	1388.257	2105.3585	1705.066
2-HYDROXY-4-(METHYLTHIO)BUTANOATE	54732.84094	22912.46581	24727.38135	30691.95053	62512.85634	23686.58532	45208.30793	43231.95234	29266.15976	23887.41405	22470.38962												
2-HYDROXYBUTYRATE	858285.617	829539.415	756548.6099	669244.5694	781048.1391	397225.3246	632412.2858	309053.838	452715.805	552152.5403	392497.4646	83696.7355	60549.5925	53629.2875	183827.4655	124269.9145	113985.3235	120624.925	251280.5025	150603.5175	93747.684	48725.204	48630.9575
2-HYDROXYGLUTARIC	197390.404	208190.476	336301.9345	246778.791	231762.737	563625.5765	635114.316	329261.1295	419731.239	599533.934	762438.3765	4170.684	4357.9325	2760.2725	5406.4065	5435.117	7782.0465	6757.6975	12911.543	9741.9975	2690.0815	2757.201	5548.1315
2-Hydroxyhexadecanoic acid	80028.356	96689.911	96227.14	93131.7935	85424.5745	103882.5605	97554.4965	85130.986	91623.73	90223.527	88958.7375	9018.738	7369.0735	7539.73	11717.8725	7625.0525	9181.787	8519.325	10424.774	7080.255	10406.5625	4728.298	8450.7515
2-Hydroxyhexanoic acid	161472.7775	91133.204	87747.4655	93732.975	188051.8905	42374.3595	153344.7235	96151.509	200956.8745	166761.963	145741.9795												
2-Hydroxytetradecanoic acid	25724.74681	32466.20649	33684.80266	32472.43046	29193.96409	30701.14195	33244.92311	28898.1215	32359.86326	27926.18512	30195.85918	1749.81051	1741.435164	2186.373983	1770.85839	0	1852.604922	1693.848661	1306.758858	2004.740937	1790.786049	1301.755946	1727.975935
2,3-DIHYDROXYBENZOATE	709855.8674	817256.0534	494859.6102	887047.0708	881434.1134	730439.0589	1576553.964	669907.912	793187.3678	610345.2034	391489.6519												
2,5-DIHYDROXYBENZOATE	701613.8295	806674.95	483019.9825	878335.751	866170.356	727060.4175	1547743.877	652016.8365	772177.9455	605967.658	382200.022												
3-HYDROXYBENZALDEHYDE												595.2	806.516	575.2445	822.437	1164.995	791.079	1038.679	1194.9065	1221.4425	546.4635	590.6725	1066.52
3-HYDROXYBENZYL ALCOHOL	30429.38921	38003.97616	39802.66411	26597.70892	23363.57267	34182.4813	29958.67915	15335.64594	34183.43079	29929.25519	28961.48249												
3-HYDROXYMETHYLGLUTARATE	505642.778	212862.432	282753.203	278332.557	362619.6045	44611.086	87031.9305	846509.231	326522.8605	181943.646	378399.486	111869.9445	58776.769	32255.468	163613.6075	49654.836	73076.7545	181859.9685	194293.7645	452741.137	182494.125	66776.124	57654.274
3-Hydroxyoctanoic acid	18833.96133	17830.9073	18982.87233	22213.73678	18459.0835	31678.18567	38989.47266	13447.81334	26501.3416	16041.87287	31737.51732	1961.62092	2021.386035	2213.975174	3711.000433	4103.972466	3230.800595	3405.250779	3884.25615	3433.664761	2055.371631	1974.210841	949.5780972
3-Hydroxysebacic acid	46322.1775	29736.2785	42592.7475	36074.3105	37222.8525	56530.9825	47745.946	56931.939	45050.272	36123.724	68964.589	19747.862	20194.821	39307.0735	56659.029	45076.493	65885.612	103451.28	118351.9595	39680.715	16147.1705	81976.783	17708.8585
3-METHYL-2-OXINDOLE	39869.63698	28181.44694	35950.76834	44987.2882	34274.02146	7676.804629	30251.16078	33337.48944	20712.68704	24131.74272	31775.89633												
3-METHYLADENINE-3	67199.18897	110453.4271	95238.68469	78188.46453	55356.9324	127748.4624	160082.0211	61476.60491	117610.4339	102580.0243	93930.81782												
3-Methylglutarylcarnitine	53229.59224	37573.72494	35793.64453	45632.16808	49414.42855		9737.8657	53753.4744	65785.92333	54420.11882	131744.7915												
3-METHYLHISTAMINE	11459.25201	3843.905644	13645.04321	6378.239021	8576.960726	16490.34649	12104.21988	5167.280119	11343.65257	10522.42257	8092.310967												
3-PHOSPHOGLYCERATE	156751.8505	262743.1145	233359.6645	238052.514	187195.473	901887.703	308594.264	170649.8465	174547.253	156009.739	190518.4405												
3-SULFINOALANINE	491397.7545	235936.1895	167123.5975	408207.3825	405582.9665	174349.61	344043.775	304576.2715	364019.6445	312078.3195	343592.74												
3,3-Dimethylglutaric acid												21541.70587	9612.642167	9843.168085	24261.10814	14440.03295	17875.10433	17606.76896	14370.95617	10408.91208	17370.06306	13410.78097	15588.33674
3,4-Dihydroxyhydrocinnamic acid	1427876.041	440249.7875	395232.6745	720568.833	1278471.409	557687.5725	827570.3515	884920.291	733179.117	681102.0835	413551.513												
3,4-DIHYDROXYPHENYLACETATE-2	132195.6926	126289.0642	117057.689	91184.44149	98529.84941	125602.3565	219362.5413	236251.19	271751.8454	235233.4528	454291.9383												
4-ACETYLBUTYRATE	36435.77338	54345.21457	63185.90589	42013.45312	39156.49231	57261.24227	45818.92077	18141.356	44151.979	53844.69733	49047.38757	2361.861	1945.7285	1316.239	1281.345	1087.766	1163.498	1631.879	1449.9875	1885.5785	2705.026	4241.873	1649.8765
4-GUANIDINOBUTANOATE	1607452.636	564922.2019	719924.5545	1039059.537	1938180.856	718560.3937	2867656.95	2332548.557	2769929.008	4249097.409	3277839.179												
4-HYDROXYBENZALDEHYDE	49392.57794	71975.88805	46535.68612	67777.51001	58880.75894	48905.45827	73846.00675	80493.02236	55436.38787	53856.97415	53766.10182	3763.017	5028.106	4387.218	5554.817	5197.593	5654.9635	5757.9205	4728.314	3049.572	3465.8245	4428.979	4485.179
4-HYDROXYBENZOATE	12287.709	13544.683	12305.3375	13787.5395	12360.6135	10992.2285	15055.504	6645.481	16276.9205	15154.132	11475.2675	531.991	679.621	419.1645	590.7325	1119.8015	620.073	556.406	451.0005	534.513	603.628	2380.105	567.83
4-Hydroxyphenyl-2-propionic acid	173648.8051	80150.50657	76362.36616	146470.0157	7546.148549	96451.39011	31610.36196	14601.26434	134306.5261	98952.56717	89526.97228												
4-HYDROXYPHENYLPYRUVATE	49425.29707	71668.8599	46535.68612	64446.7005	58048.16025	49089.14247	74425.7403	79369.74792	55270.23378	53748.6413	54258.19932	3232.429868	5368.568022	4650.226045	4269.060595	5568.473688	5528.302316	4934.125883	4827.240944	2473.531605	2990.757338	3531.299489	3208.242237
4-METHYLCATECHOL	10836.4795	13296.379	11601.974	10305.1575	15446.38	3732.514	6136.855	11546.128	4835.5305	4194.365	3879.5525												
4-PYRIDOXATE												707.58	1155.9045	374.429	632.888	1997.8505	269.0035	1036.688	481.8295	1233.18	796.5975	552.863	312.2605
5-Aminopentanoic acid	157510.4797	181604.4479	429855.1242	102834.1413	21327.92123	147189.6522	97877.61283	56737.88211	274028.1443	445055.5684	360980.4597	27078.7315	108721.6765	93953.369	297888.4735	596022.4435	363272.49	231770.875	526718.5465	289342.9045	53605.99	130842.763	65923.332
5-HYDROXYINDOLEACETATE	96429.4541	64207.40721	80004.68928	90490.8059	78804.5365	12790.99027	60568.28807	70361.05398	53378.07666	50927.73115	65786.30847												
5-HYDROXYTRYPTOPHAN	15248.062	14140.7295	9368.701	28512.8045	16062.592	12142.2205	15967.209	23467.7745	27107.787	18682.154	18048.96												
5,6 DIMETHYLBENZIMIDAZOLE	7271.1465	6062.713474	6159.053724	5380.656372	5807.340718	4896.653938	7501.302077		11237.49481	11887.07708	10733.98193												
5'-DEOXYADENOSINE	81480.23597	50550.75171	83134.1805	26962.34014	80286.26824	83929.49213	92522.37288	231358.6748	146177.5381	113401.1501	72017.56594												
6-CARBOXYHEXANOATE												17932.197	9759.6445	8187.167	23912.109	14611.8345	18517.21	17231.85	14876.2145	10979.919	17777.476	13503.746	16357.4025
6-HYDROXYDOPAMINE	69612.7729	54351.50763	34301.96452	55218.01791	70165.54238	15827.10013	45554.91905	55242.88767	42895.8005	30632.11279	50966.09482												
6-PHOSPHOGLUCONATE	67372.4575	66273.8365	78474.236	61178.275	45243.696	84450.022	46384.252	46644.776	61671.4105	61199.4245	63353.882												
7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid	12046.35512	16638.31369	44174.35546	14118.633	15711.96959	55236.38885	225383.3992	707845.0127	106940.9783	121294.9296	248952.8779												
7-HYDROXYOCTANOATE	19385.328	23922.001	23284.3145	24591.279	21985.578	21523.2395	27803.7135	15884.8065	21436.053	21662.06	20865.025												
8-HYDROXY-DEOXYGUANOSINE	828117.4905	773703.9464	1442533.877	747318.286	785968.8112	1057813.542	479400.1891	599810.52	575568.1651	517529.9263	517500.0439												
ACETOACETATE	7901.576	8973.97	10012.199	9915.382	8657.683	20366.336	16876.6935	12444.245	11897.065	20221.181	25339.008												
ACETOIN	41220.1145	28606.861	36425.7855	42585.637	20167.525	217068.0165	192497.6155	82241.8475	144284.0995	333378.281	329030.6415	25477.8275	39559.004	21047.3405	112528.5135	95401.757	64558.0325	87918.0645	115993.094	117187.5535	32145.8985	25265.756	34795.844
ADENINE	2375151.583	1952441.556	2691662.897	1592931.334	1531267.31	3851339.837	2797487.891	1612248.979	3167948.829	3358838.652	2789752.512	173123.8405	109567.7427	137306.1744	134596.2862	57085.39514	146045.4515	104737.0424	125897.1962	121683.038	178466.737	135898.8247	87877.7917
ADENOSINE	14887535.67	24454316.91	41112659.93	14725665.81	13957912.88	39347014.17	22217695.28	7563.5195	19070692.22	18216316.85	22495758.13	954385.037	896538.2305	898848.3525	911221.507	1209596.585	1381440.008	1149992.277	1104511.426	1010381.249	1087425.574	740001.05	1031424.134
ADENOSINE-MONOPHOSPHATE	24346208.34	15623028.53	29738752.58	14592634.85	12171042.58	32585903.1	25530087.77	14469134.05	34950050.3	28988871.08	32085445.85	2571006.746	1504056.622	1429477.386	2204692.693	1450832.104	1491269.28	1821267.197	2209058.626	1556611.924	2701132.968	2507118.903	2248081.358
ADIPATE	223256.4965	84512.44133	106936.6794	90278.12384	176835.255	114049.8128	236770.792	356634.2287	320657.1546	256698.5339	583999.9045	58168.4555	68974.0205	22166.994	94248.591	68205.5605	75693.7065	114208.073	102555.6025	110359.585	66274.1615	113230.225	53598.7365
Adipoyl-L-carnitine	11357973.59	4158275.227	3885355.296	6049831.585	11096992.13	2505897.771	2451318.059	9921754.667	10885802.64	6728437.91	6469648.654												
AICAR	25784.0205	20920.4405	12059.2105	21308.116	13907.36	16962.3655	39696.9685	23562.02728	31671.71525	41160.19323	23191.753												
ALLANTOIN	292469.9672	647297.8969	528414.9684	407659.3544	358260.8801	567478.746	662978.9357	379315.3658	454453.4091	401440.1355	358870.4988	19367.1044	22152.04691	16767.31397	26305.12847	27738.81297	17978.09248	12163.24386	30944.03075	31314.49474	21769.45356	19503.8834	6071.102349
ALPHA-KETOISOVALERATE												1616.5795	1128.2	789.4945	865.181	811.5185	718.0485	629.4975	1210.296	1277.8275	2020.809	1343.5935	1095.815
AMINOADIPATE	3283865.664	3656872.95	8811739.45	1831190.11	476499.7372	2265191.481	1621985.08	877397.0926	5419751.835	9239325.218	5994384.936	537444.553	2238645.315	2333852.639	5383284.225	13101051.92	7867965.399	4789162.184	8282241.743	5102266.357	1172123.234	2719103.064	1369781.363
ARABINOSE	95203.0385	43167.6995	51637.3065	94429.643	102575.3815	23752.054	82408.647	95524.384	90733.7205	76361.902	45564.105												
ARABITOL	17965.11204	7966.839284	12750.72478	15630.86492	18050.64165	11599.22019	14874.71578	18171.56548	13330.1335	11695.70338	22927.92864												
ARGININE	28033.93819	68172.47614	18209.65517	33107.03131	23729.81316	17394.54326	66017.75974	32469.33001	54344.59822	52258.81835	24309.68874	458.9875	443.5515	516.3245	1006.4895	4911.9585	837.875	920.646	1650.457	892.3325	576.319	723.125	564.5005
ASCORBATE	24990391.93	19493605.34	21265108.1	23181164.96	26514321.96	9985642.979	7610895.51	22244996.27	10886942.01	11564425.02	12201986.75	3510570.389	6582628.112	3594041.579	4341313.238	4379703.743	3253091.803	3297547.343	4237895.418	6758018.5	5842796.096	7448862.353	1157670.772
ASPARAGINE	25605.31509	19435.05406	23028.12417	21078.75521	24509.99369	25474.83666	28968.51654	34673.85302	33071.29169	28359.40204	24315.66703												
ASPARTATE	284644.9724	509916.4515	539263.1539	578227.7237	383899.5771	1070751.197	828739.6635	660099.3986	898822.038	901406.2468	1150436.975	16574.19	14283.1515	16817.3445	17431.8935	10694.251	10460.0465	7533.264	12545.0815	16310.0155	13521.1905	9996.826	23892.8145
AZELATE	166265.7699	356887.2265	280068.1705	249249.6613	135060.8081	303106.8175	282050.9947	89557.7735	469319.8227	265906.2272	376596.4948	79845.50822	95962.54175	62211.06205	43030.77278	186848.7835	46722.92838	35548.20486	37981.66581	49745.42274	82127.65963	50378.24046	58451.60674
BENZOATE	68962.9223	59187.07276	53098.93034	58285.29599	64634.54727	51218.24517	63693.51151	49510.85109	75159.26185	54879.59613	57052.47157	6883.327401	13583.06351	11685.93642	6671.799983	13895.79804	7905.633486	9697.172916	9590.596765	7907.017997	8888.911509	10384.2336	8195.782748
BENZYL ALCOHOL	24132.32069	36240.0399	61851.31787	26583.67823	13559.94846	66391.74337	34348.77952	11080.94117	8370.044274	29741.81306	20634.21389												
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE-2	12276476.25	4932408.001	6833244.895	7483639.62	10594938.25	2035609.093	19625234.86	17270725.85	19616351.83	27886466.08	33329764.41												
BETAINE	93316263.57	94869170.51	94270778.68	103177507.9	111469014.5	108797052.4	68154176.26	93311477.1	95893348.99	106669489.3	108073090.7	4620138.335	3332004.08	3469135.898	5130333.82	6473170.734	6532211.215	6782601.591	3668634.51	4970092.696	3863890.266	4336481.719	5574564.6
BETAINE ALDEHYDE	180731.358	119413.1695	137326.51	135420.1635	169757.9525	155540.9515	150019.9195	340084.26	197408.806	183059.9665	123780.0035	7842.345	3073.706	1728.4735	3276.5845	3319.724	2292.599	2940.9965	2330.185	3031.0225	7241.5605	4537.107	6434.475
BIOTIN												1502.474847	1632.379308	1164.159735	2187.419988	1502.44311	1854.097049	3994.985204	2767.03736	3002.199567	1616.11236	2172.974581	1876.860603
BIS(2-ETHYLHEXYL)PHTHALATE	4428166.154	4534844.358	2605739.01	626119.9393	1194228.374	2014729.325	1503527.912	1527044.259	1454710.46	2657181.926	2301315.079	11435.246	20471.5835	16924.673	13349.244	24975.6085	13858.9275	10666.8045	15494.802	21693.8925	11812.1945	12774.66	17082.88
BUTANOATE	27081.6495	32768.584	27645.3805	32319.6185	25037.0185	14892.363	86121.277	53863.206	29099.7825	28760.832	29628.841	1107.274	1678.2045	1016.3695	980.077	911.405	892.9595	1951.201	1838.1395	1868.5215	1403.0835	2136.179	2554.372
Butyrylcarnitine	46012724.24	42048693	38394113.06	37926965.38	37727356.65	12559780.37	50391567.97	42508723.53	33612292.7	33573200.17	27113763.83												
CAPRYLOYLGLYCINE	18087.80925	5030.168362	5986.705962	5601.810912	20776.10527	13233.9741	11441.0704	4632.097623	22948.44107	16429.42529	94672.59552												
CARNOSINE	10403.319	13850.884	8671.808	10906.234	9796.7205	6305.6595	4882.8035	11888.0335	9524.1375	7240.1775	9570.8375	357.52	388.354	323.7235	692.677	863.7125	492.702	847.8055	877.6165	634.4785	430.602	230.2215	401.799
CDP-ETHANOLAMINE	2500146.021	2271702.14	4738859.595	3018850.191	1524215.441	3858419.22	3840092.33	1741149.661	3926482.161	4395640.527	3020747.852												
Chenodeoxycholic acid	3356.177375	14119.05658	46239.62102	2123.1995		66680.09971	447599.5574	718458.277	103776.8148	243328.6783	851613.4014	281.4395	592.209	285.8905	149.175	885.069	358.4945	123.3085	612.603	332.6585	538.513	147.18	311.276
CHOLATE	774484.401	274923.0408	980800.793	204366.0957	94752.26406	14038555.57	18966325.49	70898259.99	13446926.18	20450264.77	19881196.74	2186.649168	17454.30546	13009.00992	12568.3483	23360.4653	21120.99274	2114.185165	5723.151171	13085.83487	6651.269583	1410.560891	15839.79326
CITICOLINE-1	216642.9113	144024.9532	445899.2775	192571.1071	135826.4601	353738.1433	215694.4182	175146.8553	260503.6184	381633.9968	134026.6332	27161.289	8351.124414	5439.867328	14170.39999	3225.34452	6857.539	10946.1265	9883.289	29755.0375	9991.239418	7110.101004	7238.651172
CITRATE	7469376.688	7842862.419	6730328.519	9664376.608	8184738.33	8780471.62	11652451.53	11353304.3	9433563.854	8514524.042	7775090.735	857845.3795	1305495.244	977641.1512	1543770.943	1752781.906	1336961.774	1389433.165	1209215.368	1679963.193	745675.0008	1030319.934	997960.6496
CITRULLINE	302947.9949	504175.971	368852.4846	529487.7537	300221.3417	569232.5453	701485.2278	439489.1622	837318.6576	579601.1546	451482.1905	12200.6115	4594.3795	4556.6615	2923.9475	31716.228	6502.3555	13353.571	12811.145	7221.92	6950.835	6845.3975	9361.043
CORTEXOLONE	130627.3759	46688.51191	157045.8157	187069.2953	348457.6027	110108.9685	105501.434	18703.57101	146349.6039	333064.6457	1110143.422												
CORTISOL	93568.56794	54637.70143	66353.99896	105324.5748	307817.2884	17767.5242	33896.72456	10471.90712	46005.87187	25072.95057	220972.1358	28327.3545	46038.639	52518.0575	70142.6485	83444.3025	97616.0255	41056.571	111493.273	60899.5125	26566.054	23727.645	11475.538
Cortisone												1550.9195	2056.0785	2780.128	2525.9755	3660.4235	3131.6705	2566.287	2962.6235	2794.845	1650.8495	1149.113	871.681
CREATINE	48014440.51	42684775.23	37037204.88	51054711.92	39175257.91	64099775.3	39580110.77	50691459.6	56648684.68	44995186.4	41652577.66	576711.029	662262.543	519244.881	663445.2625	615246.107	475857.6505	429589.742	827377.269	583324.9975	556727.2085	690742.029	977473.595
CREATININE	1714919.571	1884700.49	1579301.024	2043762.454	1288756.019	1908115.82	2482017.364	1637012.643	2158397.534	1593590.582	1721415.65	18621.0275	10128.3635	7809.752	9230.152	11430.699	7332.362	16277.728	13849.1165	6258.8625	7422.467	10917.114	28461.32
Cyclic ADP-ribose	5018145.836	9044187.548	8159695.996	9740993.978	8034299.339	5988722.864	10690682.31	4571193.885	7263480.047	8051018.937	9992034.513												
CYCLIC AMP												33940.01179	16838.39211	15661.69128	27229.59736	20388.08514	16847.32082	22534.98388	22300.85396	26075.52823	15440.95717	29688.3676	9977.737
CYSTATHIONINE	12687.22907	16634.57301	5510.067141	12256.3356	9764.381	21064.55268	10171.44598	13042.64796	9420.48981	14880.97992	8996.679047												
CYTIDINE												66819.686	122624.6165	87562.5865	115061.2985	195553.0715	110985.0265	91218.834	91804.465	99348.9895	95811.435	141996.041	27077.2825
CYTIDINE 2',3'-CYCLIC PHOSPHATE-1	140775.996	110622.4645	66971.61088	181903.8872	120522.9189	54235.525	141735.3746	68446.61224	107284.7541	129462.0423	154871.8937												
CYTIDINE DIPHOSPHATE	534715.638	673288.859	267363.4745	729360.9765	1265242.099	456544.1145	786046.23	1228643.389	733044.1955	414085.428	1209310.174												
CYTIDINE MONOPHOSPHATE	303053.4061	273777.3149	267028.2009	250988.6663	250241.3315	364050.3345	256647.2105	230709.5495	309745.7425	326954.9205	274131.2065	58763.852	53162.87058	54777.69942	67632.80333	111532.5943	75869.75875	62245.524	79958.74723	42643.8965	48393.72774	60967.70456	58784.06092
CYTOSINE	749002.8565	572824.5965	987381.277	734800.8335	509708.8565	1062127.721	970524.395	597499.954	847303.077	908883.0475	622016.8045	30286.737	48335.2165	35609.5215	22432.45	41086.8845	33833.8815	42838.267	33927.844	50795.196	36590.8475	41539.7575	42573.3305
D-GLUCURONOLACTONE	97837.01041	112325.9208	120944.1954	141139.3441	140445.0159	73565.71294	15467.6015	93725.48214	44435.7816	38258.46825	42830.48533												
decanoylcarnitine	628272.8284	731165.8543	931266.7001	1207475.428	939581.5145	1689741.374	2643676.344	5559484.556	2134175.849	2008322.29	7862239.883												
DEOXYADENOSINE	81439.97582	50576.36026	83134.1805	26910.31429	80305.0546	83840.10679	92477.94638	231056.9303	177340.4804	113428.8571	71877.24899												
DEOXYCARNITINE	13914451.83	14691215.62	10870647.91	10556411.81	8951368.173	8063056.848	17505860.6	16616538.78	22056799.53	20361218.16	28905640.83	177446.746	132684.6355	105382.5667	140353.8154	76567.68673	52711.6282	109465.6326	73471.7203	105622.2672	302044.3918	169455.3856	105510.7319
DEOXYCHOLATE	2871.127429	13781.68904	46189.08713	2123.1995	2552.9855	66518.89466	447309.7404	718429.0098	103745.9751	243348.8844	851401.2962	234.1965	450.492	266.0075	97.4505	823.4185	323.686	102.421	570.3255	304.3125	510.161	138.2335	269.5055
DEOXYGUANOSINE	242946.8135	512658.084	876363.9425	283388.725	203498.323	907115.877	330335.6785	3510.7365	336680.25	306987.916	258447.9925												
DEOXYGUANOSINE-MONOPHOSPHATE	8436208.707	11369259.3	15312791.09	7709636.747	7560001.967	19922195.21	13534995.73	6569056.265	16073043.31	16464354.68	15585690.84	2320813.16	2494320.396	1684743.597	2487270.71	2692152.913	1953753.39	2900603.248	2531926.802	3950879.564	3246059.511	2915306.386	3122650.17
DEOXYURIDINE	166006.1505	189873.105	162218.113	288732.8545	142372.2865	149601.3675	196238.212	207261.366	149034.4615	158494.078	123896.6855												
DIAMINOPIMELATE	100528.1523	73441.08695	160952.8025	73752.84135	89259.27993	262892.053	156080.3759	153608.1117	188552.3553	343722.0221	306941.2434												
DIHYDROURACIL-1	31731.037	26804.4375	26148.783	37137.153	25277.9655	49753.5985	28844.335	34650.836	38725.1695	35161.9485	32022.3975												
DIMETHYLGLYCINE	272033.85	138118.703	173340.025	268688.002	316248.4405	359045.1945	206047.889	288627.6375	370550.797	574989.23	988894.552												
DL-2-AMINOCTANOATE	4322.649139	3858.176042	8486.976233			16259.07703	8872.459373	3068.541437	7213.340627		5394.361575												
DOCOSAHEXAENOATE	31963.41409	129973.5523	767976.3442	223379.1107	65110.42346	253418.8267	46836.62276	1087252.895	241656.9288	102319.8498	439189.1851	0	1816.345293	3418.831054	0	28558.11157	0	0	18412.30935	8421.272348	784.5058153	1005.168112	0
EICOSAPENTAENOATE	6305.33699	17961.59976	75904.07692	17580.81095	8411.928917	16848.33319	6360.964292	89596.06637	78601.74752	27347.077	77965.82629	38.7805	241.6635	107.4075	23.864	569.8515	40.277	54.6975	713.0515	227.2495	80.558	45.7485	69.614
ETHANOLAMINE PHOSPHATE	15710.4035	12067.9445	25088.1445	28560.9935	20246.9535	58382.996	36576.8155	46233.3775	38880.1385	34948.73	33893.583	3609.073	4504.153	2317.949	5289.7945	5862.989	3680.488	5104.736	4661.805	4733.1525	2802.263	3777.5735	3499.5905
FAD	29215169.54	19654572.13	20297462.98	37915319.28	32197313.56	26123434.82	43352446.87	53673106.71	46000247.57	42806263.33	62523419.78												
FERULATE	16609.52107	151361.0269	137597.6027	151789.2109	17584.57296	123354.1344	142329.7107	24466.61086	128305.3602	136101.9722	90992.27331												
Fructose 1,6-bisphosphate												2496.6955	2722.4545	2516.591	1958.1745	1749.8125	2106.811	1164.061	1623.4925	1476.331	3001.357	3255.997	1895.0055
FRUCTOSE 6-PHOSPHATE	1006853.491	1332007.705	3243186.306	1129444.495	779501.8745	1231367.242	913805.394	693038.3395	912452.084	917775.619	875144.0285	156467.9585	236333.392	782553.574	298913.186	1021742.962	990235.4975	509186.774	442331.912	624123.485	90880.556	178087.392	840437.1505
FUMARATE	98538.33826	339609.1667	337608.6698	183670.2215	136272.6569	556050.322	263003.2456	58938.48632	166375.1978	152485.0958	161943.0894	3374.808	2594.861031	3092.823094	5252.771594	9815.839766	6670.969453	5271.552133	6946.606406	11493.9098	4488.654258	5777.706219	8935.430805
GAMMA-LINOLENATE	661.9205	1483.0405	5243.709	943.8295	711.0835	4017.9645	2174.5535	10654.645	4008.605	2529.8435	13210.5565												
GLUCONATE	372794.9251	26450.44864	154734.8751	211532.1594	9190.707992	99134.05046	156125.311	226476.1399	186595.7181	200583.784	198555.3468	2862169.175	4079638.838	1818058.338	2696051.662	2176647.175	1990686.29	2331204.889	3070662.169	2033840.333	2421592.18	3389341.955	4378560.782
GLUCURONATE	779672.3332	530355.7955	725043.4782	504678.362	856500.9028	440186.3881	463987.4844	353412.271	543564.4377	469309.4356	485147.9989	29341.411	26634.33	23453.4155	37498.865	26084.4345	27378.2195	22238.659	20590.413	19612.9185	23462.7255	29507.855	52639.0615
GLUTAMATE	3231714.99	5009589.471	5617544.781	5535246.638	3079425.396	6235615.026	5968114.717	8505806.488	7274028.437	7961119.283	5052593.387	202158.783	227966.742	325564.0105	290723.319	464203.6895	454723.727	237589.369	457071.3635	377174.473	211609.014	328799.316	168787.606
GLUTAMINE	1240798.069	4610894.83	2017173.269	2181476.432	1930533.128	1135603.811	3068827.482	2866036.653	2457592.349	1812233.727	1512161.558	81094.533	143627.037	193852.082	89824.405	109707.3805	90511.9005	42335.022	135618.4765	248842.9565	144049.0225	64906.193	77835.4
GLUTARATE	494306.2825	393161.6815	439341.9245	533862.9165	261817.9525	2665072.946	2451271.87	943848.761	1730353.664	4068241.683	3825787.036	62120.5745	74837.186	45893.6145	247524.549	214026.9545	147392.769	174603.5655	286636.978	367109.867	66725.525	61724.4785	74340.469
GLUTATHIONE REDUCED	52892342.41	50170379.13	45767220.01	46187281.23	46771937	43505608.51	46744591.84	41653786.31	30871483.49	46307579.03	39812156.98	1465514.313	2018797.989	2713207.367	2253155.624	1603481.216	1746613.912	2133299.269	2517075.411	2899371.452	2093042.234	1949660.6	2596293.239
GLYCERALDEHYDE 3-PHOSPHATE	59344.8009	26510.40414	25664.58594	53532.96276	83867.70583	30891.61273	66359.19176	96417.02927	55725.75911	34274.15432	55433.34587												
GLYCERATE	121203.0737	133475.5202	243616.9735	232495.3664	179492.9299	345045.8117	124259.0965	259599.6786	145641.3689	141392.4901	178686.7694	1363.158091	1782.511353	1586.723125	1795.516466	1437.74002	2986.52168	1675.043644	1976.999744	3212.08644	1840.991348	1939.287641	933.4677379
GLYCEROL 3-PHOSPHATE	9549530.811	3391841.922	7184505.575	6760254.724	6771655.092	9713521.145	8827329.517	5602565.743	8713284.675	10551377.04	6748072.069	1938132.803	1692678.617	1654594.297	1847298.879	1800550.283	2005699.452	3115714.956	979591.1315	782393.0155	1052582.912	1219237.238	4172776.443
GLYCEROPHOSPHOCHOLINE	56505521.46	22905805.92	40413599.04	45318684.8	52192339.8	32968306.99	52506236.05	73258473.75	82227022.32	66969258.36	82165226.21	1831157.856	1250203.796	945957.3939	1452228.504	1563712.138	1477305.157	2051475.839	1488317.089	1021865.747	1685177.34	2170321.283	1761027.616
GLYCOCHENODEOXYCHOLATE	3438.55	45935.1615	67449.9695	162004.3295	3016.0495	4917.5835	35502.5785	242079.3175	8940.0595	7009.3485	11610.233												
GLYCOCHOLATE	337606.7572	234550.1328	323091.2604	371690.6912	590273.5625	72509.82227	128295.4772	1538806.234	152235.5887	250490.7213	85583.02612	2663.060973	10658.28038	8574.90329	1006.158889	4566.307553	5191.36459	4428.319948	5336.851758	5263.415567	2395.195939	3961.944692	750.2751947
Glycocholic acid hydrate	337350.6616	234555.1177	325576.0155	371640.7712	589974.9512	69975.17187	127480.0898	1537924.95	150992.0261	250848.9185	85583.02612	2547.334824	10570.93998	8592.399099	1002.4782	4685.664551	5239.182076	3543.633791	5369.874726	5371.560141	2416.913926	3512.431793	725.2120772
Glycohyodeoxycholic Acid	20190.868	11248.5365	17586.7935	22572.619	21944.4565	2145.305	9192.6875	119479.9435	7756.998	10318.413	9061.856												
GLYCOLATE	52433.59141	37287.15353	46673.61702	68671.89856	54615.52457	49838.74504	65579.57611	51016.78084	58625.04808	59628.80178	62037.96804												
GUANIDINOSUCCINATE	7471971.51	4045310.447	4113529.613	5442098.2	8803213.294	75998.64406	341129.8758	1784840.106	780223.4288	641187.0701	1603199.341	15671.51938	15212.64004	15064.59083	7595.759183	2404.064	8636.697607	19533.81141	7286.854595	18127.58333	5669.560739	7911.192142	50834.88922
GUANINE-1	1226963.029	326569.1759	415437.1708	222591.4596	648035.6163	660748.6725	371401.472	909671.8433	511656.271	775560.8347	259730.4297												
GUANOSINE	534536.9715	546050.56	1002824.033	510879.607	508859.74	783607.6	332142.5435	388378.6775	354857.3115	310769.835	318536.791	23182.69462	21070.53011	14198.3985	27439.98436	14366.77317	19860.26849	22510.08827	32342.59003	29254.40653	19479.08098	7175.077249	12485.07578
GUANOSINE MONOPHOSPHATE	7105981.386	2335539.322	4026195.44	1776940.006	2625179.235	5505707.065	3554248.403	771756.6837	4578506.257	6185456.896	4324273.91	895869.0597	1048477.38	492003.8326	753390.9738	676737.5609	698312.74	993620.9396	540577.1178	488309.4831	1284829.409	1533768.978	1423452.979
hexanoylcarnitine	8087409.989	5367284.405	7728135.309	5304243.755	5162499.279	7474210.082	14506683.2	6907336.05	5168993.072	5584309.141	6746265.751												
HEXANOYLGLYCINE	48382.8125	11888.757	12960.665	8442.1405	41265.4985	15604.343	22521.725	8052.233	23198.3405	26325.7495	68585.9025												
HEXOSE												12959.816	22400.6645	16528.2665	17742.1095	13533.5745	17963.325	15640.8115	23545.736	25903.099	14844.253	22643.954	7617.3465
HIPPURATE	778641.4577	1291860.252	779502.6894	976110.121	1084372.009	239292.3063	1326132.203	1395065.399	570065.2865	378392.384	248145.2916	5461.823236	7361.319105	3544.384	7796.749598	5923.460666	6778.166037	8766.755877	4609.510993	9813.544913	4337.596333	2379.470407	2094.092113
HISTIDINE	1582074.327	1192171.775	1545327.052	1849109.518	1404409.447	1243275.346	1314917.311	950544.562	1312146.619	1605411.405	1292708.326	44872.61399	31872.78052	33125.31928	25130.40564	34088.51032	42827.54716	67278.65695	49211.3703	39033.54373	27444.33115	27429.9953	59390.30108
HOMOCYSTEIC	196186.4927	198347.1525	244029.204	362967.2678	170409.8597	44686.24312	196207.1457	189982.7573	190574.0375	167389.9847	165177.6505												
HOMOGENTISATE	25742.71309	126278.3147	117057.689	65705.682	98778.21838	110591.531	216950.8745	237164.3316	271326.0333	222189.7312	454016.9349												
HOMOSERINE	60567.50531	24801.60799	17936.734	45833.36487	74729.35448	13713.908	31012.00607	108333.8038	49097.66904	54244.15466	40075.9945	841.8525	1607.056	1410.71	1689.571	3003.0245	1770.214	1501.698	2377.4	1668.77	1280.93	1203.2535	1499.2045
HYDROQUINONE	56711.53222	66990.81156	42300.27424	67498.38238	70923.98366	56038.31346	120311.2392	59591.68316	63796.54897	49591.45943	31697.8338												
HYDROXYISOCAPROIC	161472.7775	91133.204	87747.4655	93732.975	188051.8905	42374.3595	153344.7235	96151.509	200956.8745	166761.963	145741.9795	18914.4135	18640.06	17096.6015	3252.3255	5457.6645	5818.2665	2814.338	4049.0305	2589.346	15519.0055	23105.2105	16547.6815
HYDROXYPHENYLLACTATE	1429567.182	441656.7175	396015.7395	721132.5005	1280026.097	559056.3105	828577.7705	897060.0355	733754.146	683528.391	414142.585	24473.44173	31380.17604	25163.1229	40102.15571	64758.82473	33870.53813	43493.23928	55068.55684	29033.58241	26042.89473	23761.36649	38630.65219
HYDROXYPYRUVATE	30034.885	33845.058	45709.9905	33986.0905	37656.818	24330.5765	31675.9925	31421.085	19240.3225	18890.3495	28680.1775												
Hyodeoxycholic acid	12695.82322	9592.620021	90142.84636	6245.178014		102722.0912	595318.3877	2171417.739	307693.5504	841825.6585	3241916.274												
HYPOTAURINE	117611.0245	17637.514	45124.356	14285.068	74910.6095	116988.9585	37970.7055	11203.7485	32453.716	58769.6795	44230.816												
HYPOXANTHINE	3953294.348	3600342.296	4918344.38	1488328.708	1341383.316	9541706.937	13849490.68	2970016.864	10641159.12	12206285.97	10648003.02	867889.9985	350876.236	301715.3625	509335.38	288078.3435	405186.206	494895.8685	341469.876	558935.1615	1103231.022	488282.415	453314.067
INDOLE-3-ETHANOL	18302.49131	22921.44034	6707.784984	9422.004297	56625.44464	2066.140375	6931.161016	2220.308469	12933.06903	8478.036078	18029.65314												
INOSINE	5599189.606	4328815.613	6370134.669	4892659.128	4651444.764	6444663.068	8759920.755	11949238.27	8044770.327	8127733.854	8390209.141	771686.88	685632.985	577866.099	600588.1445	401260.9825	703450.5865	658336.441	698867.5485	889822.9655	890057.3315	261813.145	401250.5845
INOSINE MONOPHOSPHATE	3546201.983	5717020.601	5728609.956	4143857.227	1885344.832	3468901.803	3095845.172	1532359.945	1990677.681	1327263.372	1388974.937												
ISOCITRATE	12495982.28	6050854.251	3895940.82	16814543.71	17068023.17	4482652.376	11993571.58	36216042.43	10683423.21	8595124.935	8764323.414												
ISOLEUCINE	1539618.202	2416597.594	2131715.065	2100547.97	1741464.226	750588.199	1496331.872	1354487.906	2331995.047	1591686.182	1317182.488	77783.23873	98611.92055	115956.0794	38944.14976	148388.6571	147286.6733	142490.2441	98066.9914	80779.28023	85647.73589	74299.08235	93362.16186
Isovalerylcarnitine	5321780.415	1589401.361	2671919.966	1956174.571	1938490.399	527681.8545	2771567.311	3585708.993	2484047.789	2991450.738	1734796.764												
ITACONATE	31988.10733	14289.40326	8380.741249	12726.89423	4648.927084		13959.06648	86760.48427	22807.38703		18756.34827												
KYNURENINE	103960.8163	81764.60542	110632.8486	92047.61949	104791.9253	51051.77052	59553.08728	108768.8899	103956.0533	62584.71253	58209.26628												
L-ALANINE	181435.8654	157986.689	108282.6121	201156.0843	165500.5663	444629.81	156314.9205	159255.2623	213572.557	173074.5653	165913.8206	52009.48042	59332.58912	57211.97878	57861.80159	19009.69065	47739.8164	32946.92412	47388.16666	40007.23209	54374.58077	60831.97119	30485.79597
L-CARNITINE	40247261.35	26718574.05	31759628.9	32454823.24	36785692.94	35594371.24	33083097.13	63825291.54	42160151.06	40164416.81	26516583.92	2778954.001	1242765.967	543057.462	1100958.966	1155992.121	696064.2525	1042399.209	473296.1615	602950.2	2297683.523	1380556.444	2087915.144
L-GULONOLACTONE	267419.9985	68949.089	85773.9145	141000.2405	242815.7755	58194.858	92010.913	167838.9005	110592.044	88338.263	166979.3105	11569.26046	17384.68765	8730.649689	13860.04918	4985.653923	3734.328241	3721.727359	14696.36361	9288.319862	11019.36095	14967.65803	19882.18802
L-ORNITHINE	200717.7574	50634.3765	171712.8298	156023.3612	148393.9594	176988.8244	110544.2575	241487.1496	394618.9288	427003.0891	218454.982	14977.208	14370.5475	22959.467	15430.211	179133.0995	23591.669	16963.1455	66109.636	36847.781	15525.096	15386.3725	1333.1995
LACTATE	1961268.035	2268976.916	1860328.203	2120892.209	3275324.27	1854438.388	2610369.518	2386656.971	2111932.414	2198036.597	1837603.233	455452.2335	431926.5295	338524.3765	690707.635	519172.843	563049.064	704937.5135	520509.0415	442949.352	504816.664	484533.602	738636.584
LACTOSE	268373.0438	192662.8987	494329.1798	148259.1108	286312.7176	265071.1711	90902.08391	324989.0812	299506.0571	138818.1427	170703.2562												
Lactoylglutathione												29002.09	28550.002	23640.9685	43819.642	20993.5765	29671.7625	27442.5675	31224.1985	74393.397	23526.175	9694.4265	17687.2705
LAUROYLCARNITINE	128726.7912	220334.2418	781887.6985	463975.8059	233011.7065	1694473.235	2898472.5	164686.1679	1649960.868	1225250.843	5961877.761												
LEUCINE	2795252.628	3492438.54	3450616.454	3008645.644	2783718.179	1580606.332	1880941.689	2376050.766	3928536.47	2804087.644	2099946.509	110026.755	160592.1443	206847.7556	167128.9416	284556.3726	216376.3703	174048.3367	214655.5933	153342.0156	117232.6734	137098.8784	132416.8821
LINOLEATE	4524.473354	14400.20504	79971.45781	24581.66347	11843.74451	62654.54531	43220.55877	146482.7798	82718.98079	46223.76476	96956.90108												
LPC(16:0)	14512214.08	29921433.94	70457760.23	41129401.09	12877093.88	16193522.58	45018833.78	71936389.74	39222159.17	24517401.78	38676074.28	68226.43607	610279.995	281923.8232	57667.28933	201982.1572	100706.5598	205881.9572	156038.8066	928176.6115	86664.12981	235730.8827	332718.5448
LPC(18:1)	2500680.016	7590534.333	30519016.09	11687167.79	3452162.74	4947505.35	14000076.7	60929274.92	14941592.22	6728626.056	8899612.147	15717.323	35385.666	16860.177	4096.3075	28596.049	10777.024	14445.409	19075.6045	60447.9155	12136.4245	26861.131	13327.744
LPE(16:0)	427399.0075	673336.871	8538563.921	1838865.362	376832.457	1112109.169	3181152.261	4781980.39	2703780.506	1362465.59	1133920.369	682.2585	2514.799	3962.7595	798.6555	956.288	1529.6635	1305.37	3433.2265	1798.179	1177.124	2155.7335	7445.1335
LPE(18:1)	265775.363	612307.8425	3489620.407	882437.452	221163.972	875702.355	1080245.348	2444671.522	1449656.17	807778.707	877775.019												
LUMICHROME	20095.20309	68943.74658	63278.74128	126493.8272	24277.19569	17243.17283	122874.3625	36145.96194	49892.94401	64307.0844	76636.97399	8514.676997	7198.916258	6166.224058	7079.036044	3667.759721	6023.02988	7253.324367	4508.20883	4749.211988	8263.823277	6596.91228	7892.861975
LYSINE	269338.3762	230017.7157	441557.2364	497537.579	231040.8051	262278.19	294343.6293	341272.2537	292627.7086	460314.2194	735127.5618	24864.0145	31378.792	33856.295	82294.2885	357918.6395	72784.987	97368.7515	121330.896	56311.2555	23558.609	30484.761	21963.5635
MALATE	2658836.197	2895229.167	2740592.605	2921313.078	2959740.118	3713305.073	3211907.649	3647681.613	2759030.161	2778890.132	2979039.228	712982.479	809979.8723	788029.0856	1052035.257	1024713.186	1078403.291	866301.4295	968299.048	1031343.478	795475.2027	905018.2572	854230.1976
MANDELATE	25905.8954	29465.02981	14367.6612	49461.85819	32311.60226	8197.273077	17089.92202	63197.45531	26111.7371	19192.89781	15818.08327												
METHIONINE SULFOXIDE	5773.647436	6624.800196	8259.923531	8515.704044	3787.542524	6458.308067	6031.22915	8583.21131	7618.275362	5890.749541	3895.491												
METHIONINE-1	382038.1291	385666.5331	374680.6994	473298.7407	413943.4776	344994.1205	392326.4961	517830.5112	524409.956	346686.1202	169932.9042												
METHIONINE-2												86071.60618	47647.92873	31299.07863	33505.10801	29145.69801	26831.98801	36875.72367	48445.23186	49527.81753	83787.66498	78108.57536	31555.80945
METHYLTHIOADENOSINE	5336484.211	6338203.934	6492104.549	7245781.407	8938130.124	1739286.009	4654877.711	13184104	7941795.614	6995077.345	8402965.288												
Muricholic Acid	1079105.127	625877.4635	2047251.637	324917.2755	139289.705	8317349.754	21106148.47	62031012.2	18079800.46	34989079.81	42695673.83	10466.0385	6287.5475	7589.0185	17335.8305	31906.55	8475.001	3056.9845	19236.717	28048.5885	10346.661	2848.5285	11840.9785
Murideoxycholic Acid	13868.8705	10770.128	89328.9855	7104.6265	2206.498	101545.0845	589203.6035	2161364.45	302352.1545	898645.142	3231430.317												
N-a-Acetyl-L-arginine	304681.9593	29691.73356	26596.29127	44636.64999	257555.4612	14970.88882	76665.65321	127550.0355	268544.2453	612046.8115	146599.5235												
N-ACETYLASPARAGINE	170894.4155	328555.2329	231740.0485	539578.2057	62973.1222	208014.7935	242605.3029	353946.2863	564440.6933	614157.0685	324320.3524												
N-ACETYLASPARTATE	96223.643	317668.417	257777.375	364183.5335	78510.388	183231.4235	469266.1765	68179.593	57422.937	108984.375	119115.3555	17466.937	13264.4415	5777.606	1473.815	2123.6665	909.4915	1939.0675	1374.4435	2987.916	19011.411	18750.672	9053.082
N-ACETYLCYSTEINE	54464.466	100815.4445	75802.375	86646.1505	97015.6605	44078.897	65034.0055	49318.6155	40590.929	43094.565	67865.825	1773.382576	3381.926604	1538.632958	1464.414646	1170.364699	1497.160318	2551.49779	1570.451836	8852.127053	1301.370364	1809.044917	0
N-ACETYLGLUTAMATE												349923.5345	835921.9108	689878.5463	815133.6813	3515338.227	1134609.978	1177482.061	1382148.801	961289.5912	562397.5547	2198785.654	1417644.438
N-ACETYLGLYCINE												17670.77978	18990.71085	16395.3403	7581.635105	0	10730.42759	15572.28368	15742.12243	13563.23044	14038.81073	30860.29352	13787.83194
N-ACETYLLEUCINE	2350493.169	900565.8675	464955.6885	1238240.635	2800867.298	26780.5245	209406.338	992920.54	844318.777	700235.1105	325145.256	66489.99939	49544.8047	109349.0447	92003.96716	155064.7812	112180.3666	75972.35933	162631.7405	65433.33526	38548.32329	104194.5852	80708.15291
N-ACETYLMETHIONINE	743529.9427	246714.7127	163808.1722	261497.6857	772884.0883	59763.3375	126449.2675	423048.7457	324184.847	203607.3644	143120.2672	4562.60322	10121.86128	4843.921223	7031.648704	10970.04575	4639.230278	4386.573148	11893.84619	6277.57226	4815.753776	9894.823615	6324.867804
N-ACETYLNEURAMINATE	6452552.707	3129617.351	3202666.257	8516570.264	4868301.694	1543183.784	3884123.565	13357257.36	8229356.445	7361096.102	6520094.05	87627.71	169223.1965	269634.8845	112441.8775	335939.4525	323513.0065	144474.639	498299.0725	218161.5405	68323.0715	120740.93	45988.7635
N-ACETYLPHENYLALANINE	521893.703	363398.6805	252776.247	430761.207	607917.791	30265.2945	144176.372	299371.7215	317134.8925	324663.2035	245746.885	33083.509	45217.8485	49406.637	40707.8435	40207.62	53608.482	43904.6985	57009.1665	38146.146	30977.4835	26810.6995	22579.0715
N-ACETYLTRYPTOPHAN	192379.9202	87100.26342	43269.19624	116217.5766	190459.8426	20092.94347	68129.35089	58171.30707	158785.7362	157951.7051	176250.2231	8568.603236	6450.680469	5267.802309	4018.7212	2829.340025	2606.479914	2776.596792	2976.717685	2373.823775	6136.144069	3658.478182	3319.771635
N-ALPHA-ACETYLLYSINE	504501.3727	383208.5815	415393.2105	284020.0023	443603.6644	109718.1751	291792.5066	168490.3809	447234.6572	685902.049	583571.0989	8672.417753	8315.242117	8999.026545	5294.423913	26814.01588	4369.443239	0	12856.29349	5053.033898	8167.315888	5705.982749	8314.251359
N-FORMYL-L-METHIONINE	67660.54081	27625.5645	22390.60557	42634.43674	72754.33964	83468.27545	236381.2857	176320.477	172120.3251	197234.2442	153068.3447	740.4085	1479.769	844.3305	1201.2795	1679.493	840.261	1464.379	2025.2965	1922.0625	1189.9175	1358.9445	1576.778
N-METHYLGLUTAMATE	6999249.931	6574380.154	17782707.88	7808777.651	2608005.808	4198436.961	3510438.111	8765143.478	11466223.29	14822652.86	9124907.135	101798.3381	363552.6157	326585.7549	1305179.011	3035332.616	1414790.251	1066593.349	2615131.023	1550301.426	221176.3563	519787.9547	279011.7337
N,N-DIMETHYLARGININE	259181.3224	337760.6088	419806.5936	316870.852	189980.2719	210430.535	884972.1043	293319.6358	708211.1219	1049683.77	1259200.164	46714.99757	41890.27971	101451.322	78327.62515	27520.2955	34381.39093	48310.57448	21581.78441	158890.4719	58532.496	99750.452	25997.10337
N,N,N-TRIMETHYLLYSINE	56171.66128	98509.69061	75866.74688	75930.08977	51377.75295	125399.3695	99200.07179	74080.23856	96005.02409	73612.0905	86860.95572												
NAD+	10067844.22	12002276.76	10014550.65	12118804.23	8394924.982	6817922.44	13701420.67	14943269.07	17819981.28	9405097.831	20240070.01	1576830.106	1427459.462	1094331.384	1049905.017	927053.9565	754198.7475	1214328.493	903730.182	1665289.652	979437.224	969715.6665	1290031.117
NICOTINAMIDE MONONUCLEOTIDE	54608.58697	85781.24769	59385.4393	70197.6573	57352.71954	133966.3076	145788.2514	86133.91182	111652.9897	135338.207	146541.8611												
NICOTINAMIDE-1	8333833.866	16394435.18	16124787.41	6374445.122	12108493.07	14838912.8	6466791.024	11487054.09	14584249.68	10118142.62	8985881.577												
NICOTINAMIDE-2	18558598.13	32356615.8	29086518.94	14237125.54	21266769.16	21543996.18	14909987.64	19329083.49	28994492.98	20830447.61	20827243.84	5767557.493	7706977.2	6819162.864	6880730.253	7061793.372	6862661.701	4105324.347	7245283.639	6659947.219	7783415.625	7866240.296	4854673.868
Nor-Desoxycholic Acid		438098.3533	1203151.616	143088.5457	21964.25718	89241.49708	407877.5739	690310.4016	274701.3467	137521.4809	376991.7276	0	0	0	1552.055599	8180.1786	9115.006145	6171.685002	12245.99477	25952.32814	0	0	0
NORADRENALINE	69612.7729	54389.84309	33965.46276	56004.15651	70144.21299	16163.30655	44512.11683	55259.36445	42895.8005	30595.196	50524.49898												
O-ACETYLCARNITINE	35590113.01	29761184.26	23791096.04	27759344.66	32400123.62	14319468.11	17105123.93	32793350.45	17116556.77	20471993.9	18696176.52	3117485.439	4308855.859	3625683.787	4291520.382	4171931.706	3515418.345	3291633.623	4459570.235	3877806.806	3559066.536	4982555.72	2674680.111
O-ACETYLSERINE	2731563.275	3685290.679	4932065.646	3814613.324	1739768.599	5183054.86	5946340.501	3410032.726	6694775.859	5252435.171	2946901.004	87707.55334	41581.47107	50293.00595	52459.91255	35780.54486	57772.3436	52060.14472	107349.73	64077.39489	64457.02279	72987.27368	49013.92189
O-Succinyl-L-carnitine	779601.4353	744341.7615	533285.6323	860301.7363	1140129.109	473724.8668	223691.6772	1292568.617	363294.7246	500085.5583													
octanoylcarnitine	967966.9714	991930.7171	1720458.834	1080797.994	795979.9851	1897336.025	3352662.089	1468348.943	1250561.12	1508734.278	3321379.869												
OLEATE	8479.724	26434.2985	83987.9705	22906.5845	12996.6895	61635.062	105522.251	158127.474	79650.211	37331.377	62908.1295												
Oleoyl-L-carnitine	259666.5123	2621144.438	30506958.3	9144780.489	374460.4772	53838134.71	73649294.4	45365687.52	37956710.02	24694653.85	49230297.59												
OMEGA-HYDROXYDODECANOATE	76758.83221	92026.03482	77530.26717	84667.77142	85525.33346	87498.72589	89052.89385	44305.77069	87597.19759	74661.4464	84400.648	2579.2255	2174.2115	1870.9435	2892.404	937.8185	2518.7925	2256.8055	2989.473	2115.824	2461.367	1605.6365	1824.3615
OPHTHALMATE-2	1734498.739	987296.6012	770498.9262	1262743.389	1463274.169	1377714.815	3120944.366	1826967.03	2571364.722	2954799.559	2392675.018	80579.50312	149658.8782	82039.16074	286343.8636	1141368.1	296922.9194	203503.8559	591807.7799	62430.32886	139855.4007	329929.5009	171644.0945
OXIDIZED GLUTATHIONE	33868298.04	38446036.98	33797671.7	34339415.54	39508419.89	21876622.58	37154358.1	32814133.52	35942666.15	33800994.9	34661279.34	2746280.805	1072172.443	1383297.399	1561911.682	2470701.994	1161648.124	1094930.444	916999.6275	4100905.646	1071127.487	5119454.521	3351099.277
OXOPROLINE												52374.1625	59312.9255	41834.681	30755.599	80634.0945	51794.975	71354.4745	72315.0365	49523.961	71849.832	84380.5505	100602.6635
PALMITATE	25248.81398	34258.68524	72552.01158	27776.48475	23281.66441	45107.21364	94559.13814	78138.96256	52803.91318	37878.63408	49515.41116												
PALMITOYLCARNITINE	173281.9555	995613.764	9449184.354	1781149.126	139469.978	25704589.1	51709865.36	12248420.01	22783310.48	13553453.56	24541081.63												
PANTOTHENATE	1568684.228	1833412.532	1197519.507	2135749.13	2893746.576	911693.8425	1641516.242	4472547.875	623624.9645	964517.3924	378793.5601	65210.61381	104066.8419	272598.285	138036.8548	220829.2134	209538.4341	115647.455	283800.8268	347578.1667	104319.6534	81790.32116	94976.69764
PHENYLALANINE	15681522.93	15424688.89	14327290.06	16514631.91	15671140.15	8862764.451	13168024.33	15555270.95	17744783.53	15173670.72	12315218.66	388761.276	253013.1655	311973.4495	230943.5935	274770.776	294935.3165	371094.6725	315391.442	410756.0005	265181.756	141914.2455	239302.525
PHENYLLACTATE	173648.9207	80135.71634	76188.25522	146110.8166	219538.7535	96258.71126	191021.9695	186748.328	134020.0047	98802.45025	89546.24692	2187.128456	2772.427184	1935.629243	1318.471651	4160.075825	1342.966712	1865.738033	2099.827883	1633.358164	2868.28858	1945.320593	948.4153843
PHOSPHOCREATINE	55734.19993	116486.6006	99918.16272	142219.442	41464.10988	198214.0763	77365.3595	48319.97456	57317.87359	36463.77481	42937.79961												
PHOSPHORYLCHOLINE	11812992.12	2914820.247	8532968.514	8527730.148	15078686.15	3003520.908	9137404.215	7308157.704	24403514.54	27458469.46	21153232.68	123297.346	95921.1615	140881.489	144265.7725	91659.497	228855.2645	205524.2435	83306.39	106467.795	100788.511	120337.315	289481.54
PIPECOLATE	1451960.263	204468.8642	202605.6246	208961.9919	260492.9	110772.8947	181481.0323	189697.8775	1999409.406	1108653.903	1763254.61	11482.77389	11613.47655	10618.4955	8931.6665	16344.0075	4989.140266	9301.298	9656.369	12095.70334	16160.38261	11955.273	12034.29233
PREPHENATE	21035.47941	19598.47501	14104.58356	17792.26232	26304.93421			13945.18163	6835.542109	8915.947366	12826.85113												
PROLINE	12624519.4	11090591.19	7069326.701	12603417.56	13677718.49	4371072.874	6760346.904	11435320.18	14593665.31	11237793.16	6319393.628	79102.199	93726.8385	84882.5415	177551.43	334440.909	175181.339	171431.319	297023.714	157868.724	86528.2385	98042.6955	109462.017
PROPIONYLCARNITINE	10538899.28	3429485.785	5929058.438	6230037.792	5885143.739	2423867.714	3620124.649	18968927.84	8038117.826	8121419.818	7750617.958												
PUTRESCINE-NH3	71118.1751	100360.4851	45598.82712	70445.24421	59489.46336	37697.73413	69282.71448	61373.55784	89442.08212	64834.07864	64519.0223												
PYRIDOXAL-PHOSPHATE	61414.69538	75324.67864	89998.9635	73157.85472	46941.646	55903.82757	43661.13751	42248.27836	42541.41219	32349.10696	27796.75751	10382.4945	4412.35	3914.5295	11072.058	3490.1805	3681.069	9087.222	7170.2445	9152.846	11886.3055	7583.406	15762.137
PYROCATECHOL	199058.878	204583.4553	130057.024	230972.4592	195810.4149	48163.00129	141125.2149	133915.0261	76160.40354	82212.57056	87528.51468												
PYROGLUTAMATE	689659.5006	980661.1213	1352655.195	718249.6381	683811.6588	576209.233	585603.698	654011.3493	810430.9003	796864.5133	665504.9564	52574.0265	59592.2395	42149.282	31304.287	80747.974	52209.97	71630.587	73547.5965	50690.101	71983.525	85024.3155	100908.626
PYRUVATE	383230.891	309588.7475	333357.8041	383604.8955	478614.2124	131236.563	110804.9084	438513.3073	206062.0503	174781.9353	231459.2472	167036.6405	274648.2635	155744.0555	182457.0495	196477.522	131341.0215	144565.03	164915.126	253628.791	273366.37	335266.7265	58610.1365
RAFFINOSE	143179.3525	273011.0289	527703.9736	88900.51831	159336.5821	227126.4658	53688.60752	70954.12949	308846.172	91906.6317	46853.02603	2430.042	1099.397406	1561.747758	1728.410918	2321.594656	2382.188719	1520.09	2560.219555	19796.4835	1205.770895	900.5121211	703.0859258
RIBOFLAVIN	211461.5385	149689.653	158299.9239	176987.6855	195743.8865	69334.58056	78357.12814	1070988.564	139155.2924	107371.0198	100749.0109	9785.201	11176.684	9170.297	9106.1005	16642.057	9430.3545	11616.7455	14792.3605	28533.6575	10798.2225	7955.0085	7305.5855
S-ADENOSYLHOMOCYSTEINE-1	698346.5295	665678.1956	1662728.043	637497.869	381947.5645	998377.2391	524826.3571	503862.6786	692087.6154	1105313.65	703605.937	34072.30155	60829.41419	86997.65688	38043.06023	206944.6556	88363.0537	102974.2694	39446.83066	82522.89501	40897.43435	174077.4377	155163.314
S-ADENOSYLMETHIONINE	2533154.285	2376402.497	1976807.734	3096802.496	3185274.427	683585.6151	3437204.365	5800525.938	3077701.35	2681829.12	2834430.882	64555.61762	33050.03968	41250.01812	98045.61063	39505.73543	17483.38119	26492.91965	20021.93421	30640.71643	60581.07157	42875.59388	89409.81845
S-CARBOXYMETHYLCYSTEINE	33687.84886	23883.4077	29038.57239	34329.91689	24592.33735	17413.0117	25349.10165	11810.73524	18913.07596	25207.92549	18249.05849												
SACCHARATE	70014.44899	81187.31958	60003.01074	134903.3555	100683.477	27686.18611	58592.71962	67726.90458	88088.86073	52925.86096	64862.31	7956.746997	10728.83435	7810.590412	8358.201247	7973.719155	9907.884562	9610.686592	9165.261028	8289.744535	7648.095613	8361.246278	10215.29069
SALICYLATE	11440.17218	12117.36847	13235.37284	13505.56767	12388.31445	7974.006778	15497.69904		13884.70997	14070.40443	14511.11762												
SALSOLINOL-2	105103.9186	49934.20933	215891.2988	44153.54533	99950.75605	11569.76936	30262.50889	37962.6714	98539.61928	55019.6912	43567.80393												
SARCOSINE	33170.695	35475.469	45974.3755	36000.31	35876.7635	103307.835	53244.941	13282.8625	37538.5205	48418.9315	39293.8715	3757.4695	3613.5705	3490.071	4553.3865	3662.4125	3330.3265	3169.496	4637.5275	3929.2645	3895.137	5303.794	5936.091
SEBACATE												24000.1555	49000.0935	10083.621	1612.5595	1199.787	1801.106	1160.1065	1689.714	3380.0095	30008.713	11801.2485	8832.9565
SEDOHEPTULOSE-7-PHOSPHATE	350880.083	437380.7605	878842.9165	393908.4205	254706.958	467255.905	379683.512	200158.945	297841.7955	373920.791	389330.453	72925.017	106941.1255	162412.6405	118368.7175	259571.8395	222054.771	217464.483	153981.342	139357.9895	65723.5155	73956.7915	351969.062
SERINE	38869.81526	26227.25495	35610.18952	38336.79728	60650.06102	43202.38869	38259.44989	76965.65895	51238.15752	49834.0779	43677.08852	3140.915405	4809.398044	3881.238746	5245.762926	9342.156666	5039.493871	4466.44677	5340.500536	3939.024892	3290.640765	3271.44868	3053.183246
SEROTONIN	37428.1955	79300.903	39584.494	48975.2945	26801.166	30111.819	64473.4755	39100.8955	69051.923	36208.0335	33631.7575												
Sodium glycochenodeoxycholate	3438.55	46343.6955	70179.3015	163350.7025	3016.0495	6493.0635	35962.766	242079.3175	10972.6835	7009.3485	11610.233												
Sodium taurochenodeoxycholate	18052587.05	18763197.8	40819406.38	92671744.01	15459766.44	19177440.69	25899297.8	134358107.3	16559911	15797880.5	24484906.68												
Sodium tauroursodeoxycholate	24345125.46	27980057.29	31917906.22	35266518.4	34266978.05	5418039.27	13933667.24	128969693.4	12193533.13	8326340.913	18904156.46												
SPERMIDINE	10098123.61	15478688.42	5942925.993	9932853.338	8166592.888	4909309.603	10079846.58	19919403.07	12201266.29	9095163.932	9121999.886	75291.0305	174178.4546	120677.4897	142906.4904	198064.2965	127385.1183	236616.4755	172147.6996	193298.5907	110641.9875	124883.7603	115104.1877
SPERMINE	9952150.765	12354619.45	5398181.116	11073366.31	11472439.99	3808567.636	7889296.055	14938772.53	7409186.32	5107134.278	8504144.473	33690.07729	11661.99044	23346.16096	111630.221	18694.94574	8492.994036	56232.39927	31308.51892	134412.7736	30891.32308	38310.21082	16211.62702
STEAROYLCARNITINE	62475.521	469638.269	6532997.235	1236548.21	52516.3095	7153655.266	8956136.833	4919001.665	3926131.389	2566248.017	7332029.575												
SUBERATE	334789.64	232999.3865	244655.5398	209141.7983	258460.1717	195177.5181	266277.3273	293523.5227	298408.8055	294908.6618	395275.9015	89438.80263	54772.61395	30192.01136	60313.73983	56423.83519	54656.36886	49522.11033	76971.78204	35670.68618	78187.97826	49913.30795	37005.82187
SUCCINATE	3622038.613	3159695.09	4184944.275	3431984.081	3103310.863	3777085.591	4116526.073	3056633.411	3819039.139	4150547.659	2994012.855	115112.471	73676.30877	70042.76196	161382.0283	98672.22851	87456.64092	87518.37974	113009.5434	211668.8613	92302.01279	126103.7232	139104.8315
TAURINE	31870027.87	37663781.25	40136340.95	35678407.91	30304313.68	45028612.72	36999708.57	22229854.46	25713166.22	29922371.91	27744809.02	6542550.986	5499320.571	5400869.143	5993506.567	4496743.701	5452249.641	5296148.396	5381601.308	6543829.929	6796424.812	6129391.97	5636534.805
Tauro-?-muricholic acid	178723200.8	174884408.3	210494174.5	234517370.8	157641180.1	140935883	145012353.8	302663961.8	153867206.6	156436740.1	86418997.33												
TETRADECANOYLCARNITINE	78106.0485	348813.735	3806355.624	1048565.552	106974.673	9459591.964	19604004.43	25414263.7	10208386.27	5524009.291	29966377.44												
TETRAHYDROBIOPTERIN	768140.65	778286.0228	1219423.017	596532.5234	699725.9951	322480.872	161694.9418	556646.275	224654.0512	275907.8376	300894.0336	6011.377902	14485.32626	6429.134793	6605.044535	11668.581	9821.820039	9199.397156	14414.65954	28403.02763	6972.651133	10018.8655	335.1481055
THIAMINE MONOPHOSPHATE	815012.6436	427293.2414	890948.0478	1104459.763	1430787.287	2513024.5	3496711.495	1581233.247	6005076.311	3340627.518	2906066.141	2474.6095	1988.7115	1121.9105	1108.4225	1115.9	1293.9865	4325.179	2565.6385	4334.6605	4411.7175	2686.1955	8336.5035
THREONINE	72636.5385	72429.706	103011.3275	59197.816	87563.105	137829.411	99012.4345	55590.358	90284.596	102108.7565	58882.484	5606.809	3796.4155	3378.984	4732.5705	6174.1235	6008.139	8168.243	5121.8935	4152.3545	4156.7255	3618.1725	6796.3175
THYMIDINE	171345.299	305343.462	268346.9545	361172.1175	118999.981	140510.36	158318.5175	237348.55	123047.303	77494.168	43403.3155	686.1395	300.3315	815.988	860.243	3271.434	1009.404	576.3145	732.811	758.79	638.902	964.67	915.3995
THYMIDINE-MONOPHOSPHATE												17702.3732	16868.50327	18026.71038	20999.66305	8984.761728	21707.24128	15695.32318	19287.44331	23998.90815	21634.857	14292.09728	13483.29862
trans-2-Dodecenoyl-L-carnitine	281825.7167	995829.045	1143852.505	1551447.509	485204.3012	1868402.412	3291373.341	15028873.36	4167566.817	4508246.504	13648587.4												
TRANS-CINNAMALDEHYDE	8525.437104	22864.80277	16890.72917	11499.10517	21662.76518	5566.978867	19331.937	7564.160435	15576.75778	16688.86319	15477.89845												
Traumatic acid	139702.709	117693.3655	107618.5415	106958.5285	124980.8855	121350.857	117162.65	89971.075	214052.0285	120093.8505	204735.577												
TRIGONELLINE	15402780.93	8306614.79	5636880.353	11420185.95	16011164.14	1533763.758	6165499.747	10242997.78	4471704.299	4289835.397	3818758.298	8582.928	13950.721	13238.0265	9777.8975	12214.435	13078.685	18540.541	10083.4775	17481.947	11484.6795	10747.763	20067.541
TRYPTOPHAN	4778397.051	3794989.591	3601531.5	5004077.974	4073627.772	1652521.731	3026982.693	6171093.284	4183987.696	3954960.186	3871706.845	154589.9313	112604.8135	94494.42765	202033.2799	131268.63	110041.3453	228001.7292	183033.6344	264696.4707	120384.8178	94471.7273	124158.1494
TYROSINE												30288.787	7434.829	8046.4485	35170.1745	26279.9545	7840.4125	11127.9605	34781.8065	51699.0665	22193.0635	18880.4905	16483.3205
undecanedioic acid	414888.9674	442452.7613	411864.0526	411888.3812	439187.7931	474489.8592	435863.6282	328408.1901	473063.6397	424812.2728	493133.2921	14743.34489	18972.08567	19209.9896	18771.21469	13961.97709	26512.54639	22001.73679	18431.64638	1429.591	17377.24591	11485.22871	14671.44029
URACIL-1	91925.617	91152.6145	85172.2455	53926.926	51661.64	59753.178	137475.052	53185.596	157570.054	141370.4495	113389.1675												
URACIL-2												3140.545425	5790.163796	2364.222312	4399.56105	31890.59996	2516.202247	4840.897125	3214.90484	0	6189.306404	8109.098435	3052.357919
URATE-1	6617462.779	6382611.618	6528348.138	6717544.345	4650062.511	4534266.23	9061290.772	6556366.591	7001831.644	8257116.651	6921738.93	275503.5067	253048.7966	149878.061	300459.4411	162526.799	117795.2201	397901.162	237707.657	91298.59359	398222.0452	397410.9118	414381.6391
UREA	27201.59291	28753.44705	13259.32463	21256.80793	20884.51471	12569.64961	22283.0494	15667.35736	20124.94748	17000.5654	14314.25745												
URIDINE	902949.7307	852759.149	1386282.684	753339.3003	709217.7394	1023880.732	877906.2786	717798.6849	923131.704	947263.5571	554582.5629	35085.4097	29331.49921	31284.46859	44733.89584	56801.3182	52867.02259	38040.03345	32263.53829	61517.55565	32556.44687	30840.6623	41513.06611
URIDINE 5'-DIPHOSPHATE	4869839.749	10898740.81	5223572.048	16297951.76	14814023.85	2410472.253	8641346.813	16888436.38	4853538.705	1335424.495	8170613.728												
URIDINE DIPHOSPHATE GLUCOSE	323195468.7	235916085.3	222966823.7	293974228.3	342881403.2	123239638.7	240649858.9	329533546.2	192418394.6	167371332.2	256625471.1												
URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE	53656635.28	41329523.13	40815156.17	154239859.4	70824287.64	48967623.68	83861420.84	211324604.9	42815877.08	27930194.41	51780701.57	438361.4365	128995.9142	576164.6767	4615.515086	1227.659621	400945.4448	1334.0725	7607.405293	171853.128	564.3549727	258.5715195	848.7451133
URIDINE MONOPHOSPHATE												2393372.63	3329228.882	1630766.615	3517674.159	2050494.561	2624322.133	4315119.645	4010266.085	4032723.412	3639397.116	3368641.453	4627894.501
UROCANATE		33756.74632	31628.26448	36769.56177	21446.40355	33528.11088	28731.50441	39488.76981	23980.72178	22404.50844	17609.54248												
Ursocholic Acid	369011.777	14334.5685	40514.785	16551.337	23433.6685	1427799.49	3044133.366	4216418.598	5132179.739	3408984.464	6046438.33	10395.986	19054.353	17382.4105	33632.507	85424.8085	21568.06	6256.1225	24542.1235	21379.2935	14422.149	8557.48	27647.5855
URSODEOXYCHOLATE	3926.897466	9620.479965	90092.294	6239.443453		102751.3516	595166.6301	2171632.015	307640.5971	903990.0197	3007095.053												
VALINE	157353.0898	181643.4036	433138.0451	101152.1625	21018.98336	147325.132	97895.45056	56780.47306	274027.0772	445508.1722	362531.7093	4833.14	5550.546023	7833.610363	8606.088793	27104.30475	14013.32279	10441.257	19304.13563	9275.7075	4302.738609	5525.979727	5769.364461
XANTHINE-1	2398334.531	2726688.636	4221180.601	1218894.455	1303409.717	5478482.236	7184694.872	1812995.246	3964341.128	5681882.932	5753660.795												
XANTHINE-2												119244.3296	86255.98869	90942.10809	47809.68873	165899.8707	101072.443	211265.5366	49875.2397	127475.4171	158350.2346	175713.9337	315627.5843
XANTHOSINE	429197.1775	418251.552	440290.9795	343948.5595	202612.9575	150944.8285	697389.7225	389133.489	325555.907	522938.091	423979.1075	78382.6955	16356.4935	13357.0685	19464.675	18988.949	15005.6825	70645.081	18421.172	22042.7705	52296.3435	10366.9335	46661.955
XANTHURENATE	6447.993293	7844.524207	3339.877155	8291.913061	6044.426978	1027.7715	12555.93419	4954.03159	9482.312964	8017.657235	7946.217589												
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
(3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-12-OXOCHOLAN-24-OIC ACID
[(3R)-3-Hydroxydodecanoyl]-L-carnitine
[(3R)-3-Hydroxyhexadecanoyl]-L-carnitine
1-METHYL-L-HISTIDINE
1-METHYLADENOSINE
10-HYDROXYDECANOATE
10-Hydroxydecanoic acid
10-Undecenoic acid
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE
2-Ethyl-2-hydroxybutyric acid
2-HYDROXY-4-(METHYLTHIO)BUTANOATE
2-HYDROXYBUTYRATE
2-HYDROXYGLUTARIC
2-Hydroxyhexadecanoic acid
2-Hydroxyhexanoic acid
2-Hydroxytetradecanoic acid
2,3-DIHYDROXYBENZOATE
2,5-DIHYDROXYBENZOATE
3-HYDROXYBENZALDEHYDE
3-HYDROXYBENZYL ALCOHOL
3-HYDROXYMETHYLGLUTARATE
3-Hydroxyoctanoic acid
3-Hydroxysebacic acid
3-METHYL-2-OXINDOLE
3-METHYLADENINE-3
3-Methylglutarylcarnitine
3-METHYLHISTAMINE
3-PHOSPHOGLYCERATE
3-SULFINOALANINE
3,3-Dimethylglutaric acid
3,4-Dihydroxyhydrocinnamic acid
3,4-DIHYDROXYPHENYLACETATE-2
4-ACETYLBUTYRATE
4-GUANIDINOBUTANOATE
4-HYDROXYBENZALDEHYDE
4-HYDROXYBENZOATE
4-Hydroxyphenyl-2-propionic acid
4-HYDROXYPHENYLPYRUVATE
4-METHYLCATECHOL
4-PYRIDOXATE
5-Aminopentanoic acid
5-HYDROXYINDOLEACETATE
5-HYDROXYTRYPTOPHAN
5,6 DIMETHYLBENZIMIDAZOLE
5'-DEOXYADENOSINE
6-CARBOXYHEXANOATE
6-HYDROXYDOPAMINE
6-PHOSPHOGLUCONATE
7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid
7-HYDROXYOCTANOATE
8-HYDROXY-DEOXYGUANOSINE
ACETOACETATE
ACETOIN
ADENINE
ADENOSINE
ADENOSINE-MONOPHOSPHATE
ADIPATE
Adipoyl-L-carnitine
AICAR
ALLANTOIN
ALPHA-KETOISOVALERATE
AMINOADIPATE
ARABINOSE
ARABITOL
ARGININE
ASCORBATE
ASPARAGINE
ASPARTATE
AZELATE
BENZOATE
BENZYL ALCOHOL
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE-2
BETAINE
BETAINE ALDEHYDE
BIOTIN
BIS(2-ETHYLHEXYL)PHTHALATE
BUTANOATE
Butyrylcarnitine
CAPRYLOYLGLYCINE
CARNOSINE
CDP-ETHANOLAMINE
Chenodeoxycholic acid
CHOLATE
CITICOLINE-1
CITRATE
CITRULLINE
CORTEXOLONE
CORTISOL
Cortisone
CREATINE
CREATININE
Cyclic ADP-ribose
CYCLIC AMP
CYSTATHIONINE
CYTIDINE
CYTIDINE 2',3'-CYCLIC PHOSPHATE-1
CYTIDINE DIPHOSPHATE
CYTIDINE MONOPHOSPHATE
CYTOSINE
D-GLUCURONOLACTONE
decanoylcarnitine
DEOXYADENOSINE
DEOXYCARNITINE
DEOXYCHOLATE
DEOXYGUANOSINE
DEOXYGUANOSINE-MONOPHOSPHATE
DEOXYURIDINE
DIAMINOPIMELATE
DIHYDROURACIL-1
DIMETHYLGLYCINE
DL-2-AMINOCTANOATE
DOCOSAHEXAENOATE
EICOSAPENTAENOATE
ETHANOLAMINE PHOSPHATE
FAD
FERULATE
Fructose 1,6-bisphosphate
FRUCTOSE 6-PHOSPHATE
FUMARATE
GAMMA-LINOLENATE
GLUCONATE
GLUCURONATE
GLUTAMATE
GLUTAMINE
GLUTARATE
GLUTATHIONE REDUCED
GLYCERALDEHYDE 3-PHOSPHATE
GLYCERATE
GLYCEROL 3-PHOSPHATE
GLYCEROPHOSPHOCHOLINE
GLYCOCHENODEOXYCHOLATE
GLYCOCHOLATE
Glycocholic acid hydrate
Glycohyodeoxycholic Acid
GLYCOLATE
GUANIDINOSUCCINATE
GUANINE-1
GUANOSINE
GUANOSINE MONOPHOSPHATE
hexanoylcarnitine
HEXANOYLGLYCINE
HEXOSE
HIPPURATE
HISTIDINE
HOMOCYSTEIC
HOMOGENTISATE
HOMOSERINE
HYDROQUINONE
HYDROXYISOCAPROIC
HYDROXYPHENYLLACTATE
HYDROXYPYRUVATE
Hyodeoxycholic acid
HYPOTAURINE
HYPOXANTHINE
INDOLE-3-ETHANOL
INOSINE
INOSINE MONOPHOSPHATE
ISOCITRATE
ISOLEUCINE
Isovalerylcarnitine
ITACONATE
KYNURENINE
L-ALANINE
L-CARNITINE
L-GULONOLACTONE
L-ORNITHINE
LACTATE
LACTOSE
Lactoylglutathione
LAUROYLCARNITINE
LEUCINE
LINOLEATE
LPC(16:0)
LPC(18:1)
LPE(16:0)
LPE(18:1)
LUMICHROME
LYSINE
MALATE
MANDELATE
METHIONINE SULFOXIDE
METHIONINE-1
METHIONINE-2
METHYLTHIOADENOSINE
Muricholic Acid
Murideoxycholic Acid
N-a-Acetyl-L-arginine
N-ACETYLASPARAGINE
N-ACETYLASPARTATE
N-ACETYLCYSTEINE
N-ACETYLGLUTAMATE
N-ACETYLGLYCINE
N-ACETYLLEUCINE
N-ACETYLMETHIONINE
N-ACETYLNEURAMINATE
N-ACETYLPHENYLALANINE
N-ACETYLTRYPTOPHAN
N-ALPHA-ACETYLLYSINE
N-FORMYL-L-METHIONINE
N-METHYLGLUTAMATE
N,N-DIMETHYLARGININE
N,N,N-TRIMETHYLLYSINE
NAD+
NICOTINAMIDE MONONUCLEOTIDE
NICOTINAMIDE-1
NICOTINAMIDE-2
Nor-Desoxycholic Acid
NORADRENALINE
O-ACETYLCARNITINE
O-ACETYLSERINE
O-Succinyl-L-carnitine
octanoylcarnitine
OLEATE
Oleoyl-L-carnitine
OMEGA-HYDROXYDODECANOATE
OPHTHALMATE-2
OXIDIZED GLUTATHIONE
OXOPROLINE
PALMITATE
PALMITOYLCARNITINE
PANTOTHENATE
PHENYLALANINE
PHENYLLACTATE
PHOSPHOCREATINE
PHOSPHORYLCHOLINE
PIPECOLATE
PREPHENATE
PROLINE
PROPIONYLCARNITINE
PUTRESCINE-NH3
PYRIDOXAL-PHOSPHATE
PYROCATECHOL
PYROGLUTAMATE
PYRUVATE
RAFFINOSE
RIBOFLAVIN
S-ADENOSYLHOMOCYSTEINE-1
S-ADENOSYLMETHIONINE
S-CARBOXYMETHYLCYSTEINE
SACCHARATE
SALICYLATE
SALSOLINOL-2
SARCOSINE
SEBACATE
SEDOHEPTULOSE-7-PHOSPHATE
SERINE
SEROTONIN
Sodium glycochenodeoxycholate
Sodium taurochenodeoxycholate
Sodium tauroursodeoxycholate
SPERMIDINE
SPERMINE
STEAROYLCARNITINE
SUBERATE
SUCCINATE
TAURINE
Tauro-?-muricholic acid
TETRADECANOYLCARNITINE
TETRAHYDROBIOPTERIN
THIAMINE MONOPHOSPHATE
THREONINE
THYMIDINE
THYMIDINE-MONOPHOSPHATE
trans-2-Dodecenoyl-L-carnitine
TRANS-CINNAMALDEHYDE
Traumatic acid
TRIGONELLINE
TRYPTOPHAN
TYROSINE
undecanedioic acid
URACIL-1
URACIL-2
URATE-1
UREA
URIDINE
URIDINE 5'-DIPHOSPHATE
URIDINE DIPHOSPHATE GLUCOSE
URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE
URIDINE MONOPHOSPHATE
UROCANATE
Ursocholic Acid
URSODEOXYCHOLATE
VALINE
XANTHINE-1
XANTHINE-2
XANTHOSINE
XANTHURENATE
METABOLITES_END
#END