#METABOLOMICS WORKBENCH renpingl_20240322_235012 DATATRACK_ID:4735 STUDY_ID:ST003252 ANALYSIS_ID:AN005327 PROJECT_ID:PR002019
VERSION             	1
CREATED_ON             	June 11, 2024, 12:37 pm
#PROJECT
PR:PROJECT_TITLE                 	4-diet multi-organ and multi-omic crosstalk
PR:PROJECT_TYPE                  	Targeted MS quantitative analysis
PR:PROJECT_SUMMARY               	Presently, dietary patterns have undergone significant shifts, and understanding
PR:PROJECT_SUMMARY               	the intricate interplay between diet, particularly high fat and high sucrose
PR:PROJECT_SUMMARY               	diets, the gut microbiome, and cardiometabolic health has become paramount.
PR:PROJECT_SUMMARY               	These dietary patterns have been consistently associated with heightened
PR:PROJECT_SUMMARY               	cardiometabolic risk factors including obesity, insulin resistance,
PR:PROJECT_SUMMARY               	dyslipidemia, and hypertension. High-fat diets, in particular, contribute to
PR:PROJECT_SUMMARY               	increased adiposity and ectopic fat deposition, exacerbating systemic
PR:PROJECT_SUMMARY               	inflammation and oxidative stress, thereby promoting the development of
PR:PROJECT_SUMMARY               	metabolic dysfunction. Similarly, high sucrose diets have been implicated in the
PR:PROJECT_SUMMARY               	dysregulation of glucose homeostasis, leading to insulin resistance and
PR:PROJECT_SUMMARY               	hyperglycemia, key hallmarks of cardiometabolic diseases such as type 2 diabetes
PR:PROJECT_SUMMARY               	mellitus. Amidst this, the exploration of multi-omic profiles alongside the gut
PR:PROJECT_SUMMARY               	microbial landscape has emerged as a pivotal avenue for unraveling the
PR:PROJECT_SUMMARY               	complexities of cardiometabolic health dynamics affected by the effects of
PR:PROJECT_SUMMARY               	high-fat and high-sucrose diets. The approach of using a multi-omic comparison
PR:PROJECT_SUMMARY               	between organs offers a comprehensive lens through which the intricate molecular
PR:PROJECT_SUMMARY               	signatures underlying the impact of dietary compositions, particularly high fat
PR:PROJECT_SUMMARY               	and high sucrose, on metabolic health, can be examined.
PR:INSTITUTE                     	University of Sydney
PR:DEPARTMENT                    	School of Medical Sciences
PR:LABORATORY                    	Cardiometabolic Disease
PR:LAST_NAME                     	Liu
PR:FIRST_NAME                    	Renping
PR:ADDRESS                       	The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006
PR:EMAIL                         	renping.liu@sydney.edu.au
PR:PHONE                         	+61432953638
#STUDY
ST:STUDY_TITLE                   	Metabolomics studies on mouse cardiac samples on a Western diet
ST:STUDY_SUMMARY                 	Targeted metabolomics was performed using liquid chromatography-tandem mass
ST:STUDY_SUMMARY                 	spectrometry (LC-MS/MS) to measure polar metabolites in both positive and
ST:STUDY_SUMMARY                 	negative ionization mode on cardiac mice tissue acquired after a 30 week dietary
ST:STUDY_SUMMARY                 	intervention.
ST:INSTITUTE                     	University of Sydney
ST:DEPARTMENT                    	School of Medical Sciences
ST:LABORATORY                    	Cardiometabolic Disease
ST:LAST_NAME                     	Liu
ST:FIRST_NAME                    	Renping
ST:ADDRESS                       	Charles Perkins Centre
ST:EMAIL                         	renping.liu@sydney.edu.au
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	35
ST:NUM_MALES                     	35
ST:PHONE                         	+61432953638
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J
SU:AGE_OR_AGE_RANGE              	6 weeks old
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Australian Resource Centre
SU:ANIMAL_HOUSING                	3 per cage
SU:ANIMAL_LIGHT_CYCLE            	12-hour light-dark cycle
#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           	-	C59.1	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C59.2	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C59.3	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.1	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.2	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.3	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.1	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.2	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.3	Sample source:heart tissue | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.1	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.2	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.3	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.1	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.2	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.3	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.1	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.2	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.3	Sample source:heart tissue | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.1	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.2	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.3	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS57.1	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS57.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS57.3	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS57.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.1	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.2	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.3	Sample source:heart tissue | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.1	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.2	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.3	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.1	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.2	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.3	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.3_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.1	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.1_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.2	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.2_heart.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.3	Sample source:heart tissue | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.3_heart.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse cardiac samples were collected at the end of the experimental design
CO:COLLECTION_SUMMARY            	(after 30-weeks on the diet) during the cull. These hearts were immediately
CO:COLLECTION_SUMMARY            	clamped with metal clamps and snap-frozen in liquid nitrogen and stored in
CO:COLLECTION_SUMMARY            	-80C until further analysis. This process was approved by the University of
CO:COLLECTION_SUMMARY            	Sydney’s Ethics Committee (USYD # 2017/1294).
CO:SAMPLE_TYPE                   	Heart
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	36 male C57BL/6J mice were allocated to four different diets (n = 9) consisting
TR:TREATMENT_SUMMARY             	of a control diet (Chow), a high-sucrose diet (HSD), a high-fat diet (HFD), and
TR:TREATMENT_SUMMARY             	a high-fat high-sucrose (western) diet (HFHSD) at 8 weeks of age. Mice had ad
TR:TREATMENT_SUMMARY             	libitum access to their food and autoclaved water. One mouse was euthanised
TR:TREATMENT_SUMMARY             	prior to the expected experimental endpoint due to the loss of body condition
TR:TREATMENT_SUMMARY             	and was excluded from this study.
TR:TREATMENT                     	Chow, HFD, HSD, HFHSD
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Approximately 50 mg of ground heart tissue was weighed into 2 mL Eppendorf tube
SP:SAMPLEPREP_SUMMARY            	and subjected to a two-phase extraction protocol involving tissue, ice-cold
SP:SAMPLEPREP_SUMMARY            	extraction medium (methanol:water, and chloroform). Samples were then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 14 000 x g at 4 °C for 25 min. The aqueous layer was transferred
SP:SAMPLEPREP_SUMMARY            	into a new microfuge tube and reconstituted in the acetonitrile/methanol/formic
SP:SAMPLEPREP_SUMMARY            	acid (75:25:0.2; v/v/v, HPLC grade; Thermo Fisher Scientific) for the HILIC
SP:SAMPLEPREP_SUMMARY            	analysis, and acetonitrile/methanol (25:25; v/v/v, HPLC grade) for the AMIDE
SP:SAMPLEPREP_SUMMARY            	analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Chromatographic method to detect analytes such as amino acids, endocannabinoids,
CH:CHROMATOGRAPHY_SUMMARY        	fatty acid β-oxidation intermediates, gut-derived metabolites, nucleotides,
CH:CHROMATOGRAPHY_SUMMARY        	neurotransmitters, cofactors and vitamins.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Waters Atlantis T3 (150 x 4.6mm,5um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid; 10 mM ammonium formate (pH ~2.5)
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	The LC gradient program begins with an initial condition of 5% solvent A and 95%
CH:FLOW_GRADIENT                 	solvent B, with a flow rate of 0.25 mL/min, which is held for 0.5 minutes to
CH:FLOW_GRADIENT                 	establish system equilibration. The gradient then proceeds as follows: at 6
CH:FLOW_GRADIENT                 	minutes, the mobile phase composition shifts to 60% solvent A and 40% solvent B
CH:FLOW_GRADIENT                 	for 3minutes; at 10 minutes, it changes back to 5% solvent A and 95% solvent B;
CH:FLOW_GRADIENT                 	at 11 minutes, the flow rate increases to 0.4 mL/min while maintaining a
CH:FLOW_GRADIENT                 	composition of 5% solvent A and 95% solvent B for a duration of 12.5 minutes;
CH:FLOW_GRADIENT                 	and at 24.5 minutes, the flow rate decreases back to 0.25 mL/min. The final
CH:FLOW_GRADIENT                 	condition is maintained for 1 minutes to ensure stability before subsequent
CH:FLOW_GRADIENT                 	analyses.
CH:FLOW_RATE                     	0.250 – 0.400 mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	API
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Targeted metabolite profiling was performed using MS multiple
MS:MS_COMMENTS                   	reaction-monitoring transitions. Multiple Reaction Monitoring (MRM) Q1/Q3 peak
MS:MS_COMMENTS                   	integration of the raw data files (Analyst software, v.1.6.2; ABSciex) was
MS:MS_COMMENTS                   	performed using software MultiQuant 3.0 (ABSciex).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	abundance
MS_METABOLITE_DATA_START
Samples	C59.1	C59.2	C59.3	C61.1	C61.2	C61.3	C62.1	C62.2	C62.3	HF58.1	HF58.2	HF58.3	HF65.1	HF65.2	HF65.3	HF67.1	HF67.2	HF67.3	HFHS56.1	HFHS56.2	HFHS56.3	HFHS57.1	HFHS57.3	HFHS66.1	HFHS66.2	HFHS66.3	HS60.1	HS60.2	HS60.3	HS63.1	HS63.2	HS63.3	HS64.1	HS64.2	HS64.3
Factors	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:chow	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hfhsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd	Sample source:heart tissue | Diet:hsd
1-methylhistamine	34523391.66	34391727.38	30718898.14	33675665.6	33967807.9	32409075.32	33409722.57	34275139.68	29064641.23	30456155.65	31117230.37	30839617.44	31998795.14	34049344.21	33957162.42	30016503.34	33242390.53	32806637.3	34161101.96	30521903.4	34196403.91	34736843.06	34776070.57	33015208.27	33813642.59	31218362.55	33914329.2	32722359.2	30575927.72	31069671.44	34226309.35	33497553.26	33042975.02	29830120.12	30651670.78
2-Arachidonyl glycerol	52020.9902	59160.04637	55807.15835	56074.66251	58725.58646	56270.88335	51313.64543	56909.85396	51668.40359	57623.2197	51648.13877	47533.65196	72424.88778	48006.35797	56961.96611	55709.24287	49334.77948	54578.39013	54776.86325	63266.39628	71698.51716	53947.93135	56289.08765	100532.7823	54515.66211	51231.1106	55237.00967	62201.68688	55576.24591	51713.76723	60472.47217	62798.54339	49718.29037	67275.82029	61606.17936
2-Methylbutyrylcarnitine.1	579745.614	652995.476	767314.4743	757187.9658	739692.4283	692777.5595	702334.0145	654283.1783	818091.9479	561930.4004	745719.2455	931472.8995	831410.609	511471.6906	846556.2273	714727.5283	900555.4393	805439.4627	707018.4095	866028.025	679946.065	812230.6568	761439.3122	871559.8483	788863.0663	879861.4828	533393.6794	655174.1209	551891.7185	582175.0948	550386.458	789829.9663	735424.7795	663638.9645	483995.6477
2-Methylbutyrylcarnitine.2	147361.3118	161622.3727	183272.2905	185788.1578	175363.6471	182049.4099	174041.3562	159528.6	203708.5819	142329.9306	188320.597	223456.356	204541.384	126242.2493	202162.1284	175518.96	218152.0578	197879.0659	174234.8803	216831.771	168627.4995	200224.2268	184992.88	212936.244	197065.3113	219443.0663	129886.972	159965.805	133540.5681	143587.6331	137645.1976	194943.624	177916.0413	164016.7387	115159.1699
2-Methylbutyrylcarnitine.3	100769.3353	116721.9523	139159.9998	137222.9243	126750.9505	121843.7275	123941.0337	115013.1083	144607.696	102251.3798	132879.1655	165396.277	154741.4345	92461.0705	145215.7235	124950.6963	156403.8733	139723.7163	129532.2348	158251.751	123251.1988	141327.2898	134572.7068	164712.3758	143670.7153	167969.1463	96622.99975	116384.8505	99495.2595	104714.7118	98215.4355	142538.2445	128161.7713	118999.4375	87101.25675
2'-deoxyadenosine	34424.72234	34431.82972	36486.76236	31239.07539	32967.40225	29280.49097	32152.01264	35902.87805	32073.97681	29517.85044	32364.79446	34884.71065	28298.09265	34199.92505	37713.12605	32136.40559	32026.70158	31484.99787	34832.63931	40849.22121	35506.33272	32035.45665	32057.541	34753.94626	31562.68957	27914.53957	32057.13652	36031.06041	35600.68989	32786.12976	33876.67027	41912.56449	30476.67494	35835.15972	32387.33773
2'-deoxycytidine	328201.1942	275770.6179	413619.1397	344113.937	268972.7034	334459.684	261372.6153	283075.5972	437584.4868	392438.1765	377806.2997	334606.5671	371097.6309	172309.0525	316358.03	386451.6475	309883.8694	255466.7958	194754.6989	333797.4554	224197.854	276494.9564	231891.753	338926.5414	308859.5134	362504.314	276342.0071	326005.1312	295264.2633	397969.2095	235613.4124	239388.7295	341353.0765	334677.5908	361059.7314
3-deaazadenosine	55055.56625	53233.4335	35967.30475	61152.82525	82429.775	37872.916	63614.152	53451.7065	57628.5815	51248.9795	52056.91	40769.593	43624.99475	52481.88475	56543.20575	54867.525	75737.66425	74705.16025	47130.12325	43659.95025	64247.585	51195.01	43979.48675	50458.48275	76148.717	59897.9865	72429.256	89835.247	27741.72225	57219.133	48921.34675	66242.24125	72129.32425	58760.26675	52082.77925
3-IPA	179351.6932	117215.2795	103167.9683	306107.4776	89455.77084	423634.7319	126799.0135	180157.1135	163431.2632	209324.1717	150307.0059	360262.6791	555340.6509	266376.3247	313514.4262	174209.078	191475.2773	202254.3108	115185.3454	75500.17744	55367.15663	153410.3836	121386.2392	88553.29051	99791.30747	156393.2577	113227.8991	95074.20033	97147.3408	112017.8096	129859.4748	107970.9298	141206.4913	125724.6051	113976.1275
3HK	122155.9936	156762.5336	243324.5205	122590.875	87244.6665	315216.8115	103523.1875	105630.96	173980.5692	233500.8015	290502.7868	348578.6357	330537.8295	102884.9217	179504.2618	198400.3928	126145.4258	116810.7865	89039.5575	226555.6602	93699.0955	172462.7463	170531.265	184060.831	140476.9245	307666.9382	87055.36345	94532.10262	206430.1835	252607.894	141222.0835	202418.0645	100626.0075	181356.0748	163168.786
5-Aminolevulinic Acid	953602.4518	1232487.108	1194596.034	1121930.013	1077555.513	1341112.339	1080722.178	1026573.243	1148847.22	949020.8593	1248141.627	1350269.166	1372392.25	946815.5499	1197506.56	982098.7582	1046142.209	1018568.125	915144.737	1181773.671	1067759.717	1220598.99	1260864.058	1173712.977	1041313.379	1249119.468	937490.0021	947291.3723	1094478.522	1066924.608	971213.3975	1132100.282	1061241.367	1113788.78	963886.6462
5-HIAA	124220.4352	57024.77922	63233.353	86646.7995	174777.626	125149.736	221048.0087	149371.8187	222413.3225	150356.7558	110118.0788	68207.8115	99524.76275	92929.881	96379.036	181916.371	131276.242	342852.7482	81565.0895	135947.885	75309.1195	229213.7835	73840.12878	274359.3625	224619.9264	159451.8925	128936.1368	291833.0092	77460.7965	238341.1865	121080.852	113447.0208	220609.095	127623.3288	175935.4705
AAD	85984.85692	96463.72354	130550.7442	108780.5652	92407.71038	132275.3192	96989.61111	89967.57657	110546.9527	104935.618	114104.5629	134790.8261	125622.7094	72449.22895	114461.5716	106456.523	111962.9231	103035.1901	99328.78043	123501.0676	104503.8753	110046.4885	111162.2956	109991.3828	98383.3583	108441.8183	87967.49011	82920.59104	115810.7113	106003.4996	104118.1243	123142.5189	96260.72583	109565.8417	89089.97656
Acetoacetic Acid	497486.1906	463122.1036	565493.0693	473907.05	531296.8231	592808.831	500458.4673	460452.4183	514132.5235	441277.4245	505019.5019	534529.8063	595453.5625	487805.5713	379660.1805	463476.3624	471796.093	495218.1153	449521.3523	557941.5572	461733.9945	557305.6468	592145.7758	512509.0727	530951.043	573541.2645	392156.5138	481156.0213	526070.3525	452152.4463	391099.274	509108.6095	490139.267	498572.1232	452317.6738
Acetylcarnitine	890442336.1	948451337.6	978391589.9	1057205256	989329478	1121880931	898384813.3	1014529819	1012035036	1056292788	1148330947	1229828957	1102175356	823179552.5	1155223708	1088151745	996014959	994756437.6	867791278.5	992542544.5	1024240208	976655956.2	908209011.6	1083120404	981835020.5	1163556198	1038578331	920509031	817826815.9	1183645107	1043577130	1001317075	1008339656	1100745091	1019343949
Acetylcholine	5030773.949	6899029.331	6937731.47	6956361.382	7320744.098	7387218.477	7245082.589	7103946.069	7917839.448	4733341.606	9062590.822	5954297.742	6354702.417	3874985.915	6109556.191	4444813.793	5163104.23	5384517.392	4798679.36	6055851.965	4751147.123	4976145.043	5243898.89	5919070.577	5079105.822	6110928.403	5632794.025	5017556.429	6023512.574	6184308.545	8458073.042	9836035.484	7430634.933	8562965.496	6543231.705
Adenosine	1935232073	1633911173	1896222632	2163728192	2089840999	1684015007	1911079431	1774510947	2758080446	2250788628	2002491462	1825878297	2104496232	1345779955	2207837154	2234218876	2588991025	2504864405	1394378659	1969426888	1876864285	1761201024	1521440565	2109615257	2497550163	2656855507	2106312254	3222625260	1296688137	2332423673	1552156286	2240983142	2743479991	2456516650	2034336284
ADMA	12008120.83	14632154.8	16645965.42	14468025.74	14056631.62	13851904.01	14555999.47	15296690.79	17897289.04	11410176.95	22761116.62	15484951.99	18034435.29	11521368.5	15272827.74	14975747.8	16008170.55	14101066.78	13187089.78	17912702.03	12106820.21	12843223.21	12454058.99	14991343.44	16735415.95	14866846.52	12853597.54	11983029.9	13276221.03	15643862.64	13196483.66	16348364.6	14209558.79	15829124.39	10600204.54
Alanine	23866314.17	28083813.62	33462752.14	26099050.38	25613731.54	30263119.99	25167569.05	23847725.07	40475328.79	27264851.71	19969994	38240655.1	32894667.53	16082084.16	29609769.04	29883656.03	40255369.81	33051625.9	30115872.44	32254637.91	27367649.44	28932893.42	23462251.18	33358813.93	35084262.24	40035146.04	18667760.06	23961386.27	22169550.52	25002946.38	17274699.06	24455381.28	28216943.52	33634870.54	22917067.51
Anandamide	148715.464	37149.022	61184.7987	33485.18995	42701.37899	44952.38314	90394.45133	48374.29239	76085.06085	60155.40775	98416.87636	218461.4838	43515.37138	48497.59696	60201.33651	64649.70818	85116.05462	75941.72686	47214.34193	206537.5226	51731.91413	36912.82619	33617.77642	74999.88415	34967.19127	37360.62177	117427.4647	36507.74476	38712.41079	83641.3334	91239.52048	89957.94278	54915.72564	57691.53543	44653.55243
Anserine	3439156.876	4113827.13	5844467.402	4828457.378	5542717.593	4348073.906	5021550.503	4448978.079	7417842.046	15215052.8	1982233.917	3486944.677	2373873.161	1879937.146	3990873.672	2584003.599	3630924.497	3031450.439	1896544.707	1787391.622	1926176.304	2184480.465	1625151.332	3064719.431	2993203.755	3619464.471	3742718.338	5590081.193	3881459.811	7078082.318	4572413.413	6297589.747	5885907.624	5731292.312	4644302.335
Arachidonic acid	127868.6633	117456.8079	122155.1714	110094.6475	119915.7814	119519.8252	108210.8253	135525.1376	152057.5469	115164.2933	126949.8607	142880.1665	121528.2974	103680.2353	119188.8529	119646.7792	109602.3283	135483.3264	83652.29018	134909.2891	124333.1171	107115.3857	108452.1343	1039425.047	115410.1454	133599.2151	116544.4663	120078.7899	111456.7338	117608.1984	125711.7078	132205.428	106554.5565	209499.088	173536.7073
Arginine	121638187.1	119517066.5	140085775.7	152539735.2	157318931	73914161.45	131146314.6	136982771.8	165487854.4	118940410.5	169020599.6	136063447.4	139212610.9	129746984.8	179767946.8	158504982.7	187832008.1	140988810.4	139187794.3	144952164.2	130005014.7	144518536.7	125521835.8	164313155	172518016.5	170352000.4	144912140.1	170211779.5	110211376.4	179199847.3	157276861.6	191938220.9	170551908.3	159767968.4	137586604.9
Asparagine	2953137.828	3058236.937	4051040.629	3182234.08	2615761.749	3759179.038	2970023.544	2403713.946	3599288.563	3939876.353	4910098.143	5293697.612	3838988.084	1564635.548	3463595.282	2987436.394	3258707.571	2833689.427	3023994.75	4077351.745	2694824.335	3167734.483	3007144.107	3108888.372	3292704.634	4043502.106	2204335.646	2610074.011	3002512.357	2933359.819	3800161.485	5446680.086	2959151.33	3607402.78	2776182.727
Aspartate	9778238.817	7822102.715	9207302.947	5221203.034	3661542.442	5215493.661	4041737.651	5821127.979	5032224.501	18279649.99	3887813.52	5771944.844	6798898.265	1756443.974	8099048.434	6816824.577	8442573.009	9067646.508	5764474.845	8428715.695	3271246.38	7086858.208	7947045.477	6560714.899	6616023.1	8755416.404	6405500.255	5455898.038	4780103.382	7150852.684	5267154.27	6205040.774	5570604.606	7911663.218	8019899.075
BAIBA	215142.8972	212962.2658	253564.4351	214860.2808	226852.8215	273835.3722	229493.1714	222016.8899	244283.4238	212984.5051	259124.3943	248130.2842	256109.9365	208683.3314	196411.7241	214149.3488	217413.5019	226081.4518	204936.6163	255732.7166	201213.2988	255171.0192	266118.259	244933.5343	242215.2747	260170.3211	188821.3829	237491.9774	245752.0314	223795.5346	189362.4383	240239.1152	233136.2235	240131.1529	214418.9072
beta-Alanine	1086876.711	454229.2775	664217.97	801031.9939	478847.7979	740426.498	680312.5648	1073326.062	732605.9874	1909061.899	1596075.079	875692.6662	1007081.791	958951.9897	610054.1616	1324103.763	1254436.963	1214000.451	1138957.883	1886063.12	932252.604	1507355.774	1432616.892	1293531.513	1409512.109	1040482.548	888675.8233	919644.642	509538.9905	684291.0514	964382.95	764645.3507	775823.4095	536424.5022	521175.2378
Betaine	458645742.8	425326565.8	464103914.9	522061861.9	516377298.6	597615009	480180445.2	511534462.6	507118944.1	453711816.8	603890861.1	486195192.6	532923844.1	439447684.7	528852784	470499094.1	485439762.2	497880789.8	416818728.5	472667774.4	491210337.9	516372026.2	516535150.9	506621691.4	481517586.2	517590554.6	432246654.6	419105695.9	421942835.4	433082798.7	529266219.5	531858821.7	444274554.4	544879526.1	451243657
C4-butyrl-carnitine	49026843.94	75001288.13	76142112.34	103589201.4	109358073.1	86658767.45	110295910.3	106932541.4	243994076.7	99577018.77	130251468.8	156173811.7	100133916.3	26968227.73	175636361.4	109120243.9	132900393.3	126443397	54753147.82	69679429.46	137353846.8	80002500.12	66861475.72	137813870.7	130149970.9	189644914.2	131171784.3	184063265.2	39176511.44	126738390.8	127263085.3	82963323.82	164263748.2	136534087.1	68747000
cAMP	103803.2331	96958.00818	107009.5088	134250.4553	101842.7415	111164.1055	120361.3945	130828.1783	110364.9548	120635.186	122556.2294	117593.9707	121591.3165	50009.10425	139005.0378	106611.119	94632.24908	118169.1787	80276.768	141650.077	89807.83387	113859.2965	119402.5465	116650.0273	97917.09575	112328.8328	97533.84888	87757.33398	81616.43515	105944.4305	93640.93238	113840.3932	106017.5655	113380.9015	108463.1938
Carnitine	631728047.8	596020623.7	693548665.5	598438264.2	652695767.3	718106180.1	615102395.4	580726639	647922791.4	554397443.1	628778599.4	656459184.3	712511146.4	603864402.1	486415394.6	590134006.3	577494217.9	619039942.2	564931480.7	688106025.1	579532907.8	689515090.4	723666877.8	624487494.5	657925603	694446750.8	506661719.8	599970014	658314576.7	553159561	507091517.8	623912432.9	608422972.5	616178267.7	579873669.5
Carnosine	3191435.938	2995489.115	4768022.528	4359118.182	6697755.383	2949141.748	5553913.636	4553856.792	7720043.491	3526166.117	1672827.315	3134881.63	2050285	2363347.769	2556945.126	2900269.687	3972160.569	3788388.737	2144117.143	1571897.415	1711211.889	1603377.421	1140570.828	2251321.339	2715587.269	3832786.245	3627385.62	5798004.198	2548061.598	8133560.998	4438780.902	6308898.069	7227016.132	5794957.08	4599684.563
Choline	3495954.1	3535450.428	4022697.11	3485580.527	3654431.049	4474915.77	4148399.302	4248525.645	4190405.077	3577170.447	4896652.066	3769984.663	4016954.345	2982293.372	3730142.196	3675429.419	4075463.797	3681780.448	3607231.554	4695245.022	3240362.103	4164741.527	4392199.366	4196528.08	4064741.645	4080341.286	3495462.571	4974883.721	3823165.217	3946704.766	3692314.796	4110193.615	4638479.427	4770499.273	3863992.034
Citrulline	2465329.67	2832727.153	3143669.688	2811354.946	2810046.811	2711380.329	3168911.898	2760161.903	2724887.586	2099978.001	3001340.505	2798639.505	3293505.629	2512531.697	2630076.686	2456090.639	2981529.283	3104142.203	3233977.074	2823352.282	2825506.677	2943588.369	2856979.659	3144195.412	2880702.866	2929404.008	2553203.317	2624952.708	2640639.486	2653209.233	3123125.573	3956846.901	3140239.713	2772268.882	2415081.46
Colchicine	5286.70875	3876.3895	4886.05225	3557.321	4460.997	8037.2775	2056.253	5389.123	4525.25875	5090.128	5124.84025	7022.297	5683.657	5763.737	3902.47775	5255.0785	2224.9845	4352.41175	4554.8375	5682.1995	3069.08875	4191.81075	4986.8935	4183.7705	3755.0705	8789.47425	5549.36125	5417.096	5006.14775	7193.9135	3527.24075	4946.6825	5092.5055	5435.235	6330.56225
Cotinine	265131.0828	254214.4618	283572.2929	265316.0249	241350.5692	262821.5665	264222.1043	241927.3428	255773.238	277150.498	275893.0263	294929.0723	265817.6765	256008.3944	268556.8295	253081.0915	261552.8893	243664.0644	239070.913	252009.6665	240398.7428	270271.8588	285048.9905	255571.3478	266431.4365	278883.7203	255600.7362	231555.9071	263263.5564	271118.9595	249920.89	236480.5516	283115.9855	249585.0737	285821.0243
Creatine	11749737.82	11345806.6	10515146.05	11093898.23	12760039.64	10295405.32	11606847.66	11633575.38	11583116.19	11040775.24	10717621.11	10333348.1	10404481.56	13182155.53	12200851.62	10292490.14	11444421.98	11715573.16	11089569.29	11318454.1	10868193.09	12620392.28	12378783.86	10951954.38	11466470.73	9881292.86	11102995.81	11259712.48	10809432.06	11035605.29	11045476.88	10587904.36	10609117.05	11211642.69	11875682.94
Cystamine	969558.7293	881931.8015	964751.521	646285.7753	584174.0175	707386.7085	700619.14	531981.6922	726417.8976	1707803.937	869552.001	1182351.378	1507579.53	748223.5628	1186973.345	1527981.758	1366545.768	1156233.061	1223274.148	1598525.226	1197704.941	1354923.485	1413910.389	1362467.661	1278234.146	1406291.952	1397643.474	1219489.783	1281718.133	920569.105	534129.1888	635666.6155	840474.6833	607390.7203	575718.3598
Cysteamine	34368.86192	34639.18012	38678.37288	38703.24757	34827.14767	38506.08478	36204.06518	39493.48772	37423.69723	37410.63673	31147.19106	29908.12528	28545.19101	33790.35573	32569.49798	29164.35078	39253.2974	34762.62452	28679.61698	35111.17588	32667.87192	37306.93704	33017.97252	34353.06991	38161.36781	29147.74111	31079.11601	30676.73193	36345.55415	29098.97971	45346.40107	41982.53309	34195.94612	35570.14472	34203.73174
Cysteine	4730.521195	4680.544604	5528.420243	3969.730055	6085.813388	5703.993099	3761.255103	4924.033557	6740.397153	6357.479344	6215.29952	5342.991389	5412.076781	4842.160045	5906.858472	5201.656212	5229.899633	6462.45291	4541.674976	5734.935924	4920.22919	5401.926957	7409.160677	5844.756469	5099.389459	6918.718096	4435.518603	5905.057904	4333.445811	5001.063561	4637.458353	5660.354936	3814.311539	5407.428026	5385.093291
Cytidine	21503994.19	22856492.99	20832091.74	27658547.26	27848716.34	25257575.53	22910847.35	21098078.55	41097175.71	29885250.94	34347145.56	29994517.57	28356276.1	14507711.51	30476971.28	33892139.2	33698046.65	30171802.77	16617791.68	26525630.16	25757213.35	22788704.39	16945724.41	29353824.64	34585464.73	40182299.31	27113940.06	36652395.38	14086738.12	36091807.21	19122250.19	33485818.03	34694371.78	36318269.53	26252368.54
Cytosine	15404642.7	17002319.87	15255249.38	20432984.38	20060912.1	18596384.08	16835035.35	15482776.01	29367058.59	20987788.71	24551768.22	21161378.85	20340086.43	10748800.43	22044907.92	24158011.99	24097371.83	22284167.85	11881778.07	19537240.02	18036135.75	16680260.56	12553922.41	21505844.24	24513703.75	28667003.77	19934913.5	26058078.33	10520254.95	25804075.51	14096933.49	24332291.03	24754046.62	26504469.66	18844949.98
DMGV	878819.778	1194218.663	1461063.159	682255.3958	1028622.681	711532.1975	962006.478	303783.79	877757.6981	866544.5145	1012345.989	1495099.208	1192256.88	990316.6888	1233060.207	990364.6363	1147629.082	858722.9075	1025485.304	1291740.444	1001657.845	1151566.757	1198398.608	878648.9725	1023948.1	1066050.598	971980.036	942902.5456	1093537.832	1012637.584	464332.7823	447997.6812	739359.4073	725797.0967	895126.603
GABA.1	39.54	134.57	149.9906586	190.1466958	76.976425	153.02	104.4838196	271.2023756	117.27425	16.0977542	212.0201828	233.563196	174.3316231	191.4119366	39.54	37.16	72.0726049	148.3242406	79.08	37.07475098	#DIV/0!	27.95845077	-6.745748906	118.64	62.52194874	188.8985503	70.85285292	85.37151856	90.47690191	53.17119347	168.7586075	75.27457151	255.7792608	158.2	94.10646922
GABA.2	144151.0015	143515.6965	165166.5212	142370.9711	147884.7759	166978.79	148024.1732	151231.7938	164874.6689	140510.5992	174941.3859	154499.9807	169745.1827	134046.7891	132888.2249	148954.1972	149075.2219	148475.4743	132440.7682	178867.0483	134839.0699	167483.6988	173854.9336	158086.5325	160193.2092	168516.8143	129152.4693	164252.1743	149350.0391	153550.9036	128890.706	156918.8899	163252.6335	170597.3927	146192.9503
GlucosePos2	1451340.971	1452414.696	1824411.006	1426529.375	1750632.459	1966143.591	1683239.614	1404068.298	1714660.678	1784257.924	1870074.969	1873698.785	1730096.784	1705731.869	1668561.235	1738605.078	1472798.196	1495616.445	1400356.705	1769014.97	1412498.638	1598384.138	1691543.121	1594271.891	1494406.995	1975626.266	1441076.998	1639069.439	1772554.792	1862114.811	1443792.935	1509250.04	1425548.292	1573175.52	1804422.542
Glutamate	278113115.7	275343997.4	291010156.3	295068717.7	287270093.9	310801159	277000137.4	247220267.5	229808415.7	243642838.1	203155658.2	313635888.3	284936344.8	174351107.7	279372958.1	229664668.8	246747736.5	234693360.9	257856114	252775363.4	273116850.3	270905428.2	276393436.7	237798272.4	216528146.7	226016067.9	222747115	234667166.4	260086591.7	199817775.6	198575010.5	242711887.3	271606422.8	248581995.9	218438300.9
Glutamine_spec	2600909.386	3436314.103	4592474.297	2945811.919	2516858.704	5234944.468	2744057.535	2888723.401	3952955.691	3416061.092	6107035.262	6276767.306	6023273.553	2448243.166	4147028.453	3672854.002	2937949.886	2845028.953	2639123.141	4907754.652	2838413.582	3670189.259	4059381.042	3805494.933	3365420.039	5238167.821	2247462.59	2406259.962	4029587.652	4174981.443	3653715.33	4947674.842	2601295.486	3857827.168	3042189.424
Glycerol	753.28875	323.787	2737.48725	550.5075	754.73975	2624.5425	712.11525	457.37875	307.4245	761.41875	3773.052	4195.29925	2769.1385	331.44025	424.73725	3353.4965	372.8575	412.93125	405.53825	356.4595	312.5535	681.181	518.578	420.4905	574.0555	3028.27275	1019.9115	429.19125	396.3705	3155.7975	452.67	505.498	554.9445	405.372	389.11525
Glycine	179158.3673	160641.2215	176142.2483	136464.653	157481.5567	172366.868	148977.4667	180600.5743	186422.1635	191230.3553	208857.7572	155933.183	160188.287	97608.86525	155534.8275	160793.9578	159727.023	166854.1902	152634.7832	170674.8298	151463.614	169132.9278	162959.392	147942.5825	145396.263	159795.798	167903.7332	172461.2628	155136.347	160021.7043	193627.3912	181860.0935	159513.271	164489.7908	198120.431
Glyoxylic acid	34605.89959	33559.80105	31895.11274	33549.26266	39848.69555	34498.9018	37106.64583	39932.57912	33810.7996	30192.68829	29979.44152	31827.47427	33043.64072	38355.53577	34102.53148	31272.05923	35636.68465	39762.95565	39489.82708	31176.83129	35951.14022	33156.61632	33135.51787	34932.13947	32423.11288	33014.58272	39369.56198	39055.74423	29814.65902	31211.2439	35342.29954	35089.03009	35541.68847	33493.75674	33681.07688
Histamine	1739273.335	1221207.893	1318984.233	2417583.908	2084133.674	1473172.744	1690151.072	1859074.757	4102795.777	2525640.457	2372055.056	1580316.242	1679585.084	927769.7007	2226417.432	2906711.626	3750757.477	3549146.629	969501.4558	1915424.987	2135089.927	1656702.858	1040758.243	2601911.153	3863783.973	3780624.154	2130208.793	3697593.712	818004.0675	2330735.207	1195837.904	2886857.806	3896069.497	3269177.162	1924820.039
Histidine	59417120.89	50080141.57	59765406.8	89941266.84	91525257.5	50067860.17	81721664.8	74457069.47	109931775.7	45252996.82	102274592.6	84704791.89	78131389.35	66115435.1	100605824.1	118107183.2	125488616.6	86099895.92	72680510.18	83319031.92	61271413.02	87494621.64	63287522.15	84629477.35	91586228.27	104734297.5	65556784.93	121127524	47414779.74	90093292.14	69846941.29	123193995.3	103931739.1	84479693.11	78128814.27
HomocysteineN	7265050.327	7588274.952	7177628.645	8669394.607	9774336.261	6400534.815	9113794.229	8384134.951	8802167.268	6124755.488	7489568.125	8485026.467	8221373.269	8176117.629	8550690.972	7130936.278	9885401.556	10165126.09	9220741.365	7750156.33	8026142.483	8120563.67	8095220.199	7750065.111	9207106.953	8735096.383	7884765.636	11544089.18	6330577.278	7459872.256	7357779.374	8718092.275	10703376.1	7481443.818	6693379.501
Isoleucine	1359080.287	1770077.774	1361447.679	1645472.69	1644512.165	2789365.63	1827754.724	2568389.369	2882637.379	1610115.847	1518826	2068936.973	1924590.916	843608.838	1566967.056	1723673.844	1803651.934	1564146.536	1702064.281	2569028.316	1727147.659	1667195.451	1686665.131	1595985.593	1686249.414	2167595.672	1769865.099	2207023.529	1784772.369	2305169.863	2311081.692	2182474.788	1805135.694	2886597.217	1843120.899
Isoleucine_Leucine	19835959.13	26135046.97	18816938.88	23050277.53	23469713.2	41186647.23	26802306.56	39287007.43	44741825.66	26018429.86	24077050.18	31719446.24	29871642.47	12436562.34	23903533.01	27783906.22	27548809.45	24455289.85	27891359.42	42055519.42	26248936.19	27896757.67	29694036.72	24865669.38	26723730.47	35005198.39	29687277.99	36420734.19	27847781.15	34964269	35881440.12	33833614.78	28093617.01	42471894.15	28708568.03
Isovalerylcarnitine.1	3097556.158	3028333.421	2603767.696	4503973.817	5549515.512	4401235.071	5009288.387	4273118.263	12803986.86	4688114.137	6428602.547	5686880.68	4449175.386	1510718.662	6524550.351	5658599.598	5708322.318	6650091.542	3145697.482	4070395.122	5138727.646	5728336.896	5385933.812	5905451.301	7075871.822	9548922.999	6505279.915	9569918.569	1826877.837	3624782.409	7235221.064	4493571.062	7728361.849	3600441.865	3711842.699
Isovalerylcarnitine.2	1304810.056	1323089.282	1181190.495	1911535.13	2260161.808	1932844.424	2049629.853	1750998.736	5425418.109	2005592.291	2855542.554	2524918.679	2038307.911	654858.3294	2887931.407	2451255.393	2406249.574	2659876.499	1432876.295	1840387.612	2151002.75	2427648.929	2329752.188	2537210.787	2758736.16	4026243.692	2682162.297	3813217.161	803178.2065	1575509.752	3030744.898	1932480.608	3069634.4	1450513.757	1617002.373
KIV	51487.31662	48975.71966	58441.42727	49685.14743	48218.14301	68267.98937	48002.15155	49381.0656	54447.98693	54639.82907	63744.88394	71292.06669	64032.64448	49133.95597	54859.94277	56898.50641	49967.93916	50028.52045	47030.68042	52722.28942	48882.93449	51131.5322	48563.10169	49487.85667	51033.87196	66380.4638	49525.16807	47837.98189	52285.66228	65976.2787	49119.09808	50788.56541	50304.25401	52309.74254	52551.3538
Kynurenic acid	528724.9511	342256.1352	509773.369	645803.0003	375256.0692	496999.9565	308309.8548	409155.1529	503740.5215	1019426.254	456227.7133	412566.2973	554028.7121	161324.7381	246753.7748	546969.085	612113.1834	372588.7485	393763.57	895943.6925	331471.2158	526963.3747	425146.5307	785679.5148	277279.8763	496890.9082	395458.2335	253867.4573	415742.6695	909246.7795	500778.8489	344906.3626	401360.034	573500.2924	527537.2633
L-Homoserine	12912499.59	13235613.56	17776127.21	19935826.34	17022513.14	17287338.5	16526914.13	13965386.12	18254945.36	12512069.58	15757294.91	22736437.24	18177508.64	9598566.625	17483693.77	12043249.81	17493694.05	15475458.81	14556779.3	16138645.17	15949530.35	15708074.41	14907652.11	15204297.35	15982806.77	18400472.54	11290016.9	12741706.12	16254844.61	13811810.21	12966458.56	17420403.65	14705271.87	19099835.92	13963863.35
L-NMMA	1414726.46	1877151.522	2293327.223	1836158.13	1667729.663	1683214.838	1502709.641	1473396.819	2296653.734	1568965.174	3169601.427	2113570.242	2376246.088	1375703.359	2065137.404	1944171.724	2047866.384	1747190.497	1583821.431	2095458.589	1670189.579	1661530.704	1634615.249	1897499.518	2246439.248	1886227.739	1636310.364	1253429.644	1669765.688	2176036.076	1893371.188	2092420.017	1781290.733	2228322.916	1588255.319
Leucine	88189607.98	107442762.8	92824828.8	98812088	113647192.7	1010601.794	98266279.68	97887426.88	89918590.19	71603429.19	100960146.1	817527.978	98256790.68	80808479.7	102032676.2	67699674.19	92745632.41	95264625.85	91799596.61	106192461.8	104749225.8	120429883.8	104241980.4	96328521.22	94327442.14	62855619.77	80431390.65	83831797.38	84934929.82	87386199.25	85292583.82	90274695.97	100112910.8	110190552.3	72403618.36
Lysine	212018490.8	266818940.6	342273898.3	235180040.2	200810685.8	386114612.7	222047631.1	226987186.2	299708887.7	268614407.9	418695410	435275879.9	414506286.7	201496802.5	309594342.1	285068169.1	231840850.7	229551659.3	215005717.4	353309544	227197713.2	281554956.1	307685011.4	287146923.3	260460426	382670531.4	181718350.4	196223749.6	299083316.8	316339392.8	282282823.2	357165648	210268739.3	293427823.6	242351050
MES	161730.7341	190267.5928	241149.8743	211758.9071	214313.3628	248957.2187	183624.7307	184785.6668	294495.7113	217264.1105	275599.5009	306188.467	301653.4374	201667.6096	241315.8212	279424.458	241752.5984	216086.3513	169548.7313	276711.6707	197432.3861	223430.9831	221542.7683	222530.0303	225110.9162	313042.0751	184305.596	224830.2267	214809.4445	293394.8667	189851.1019	223701.5221	228428.7603	273500.7523	249428.075
Methionine	2555316.932	2276415.135	2918612.616	3240858.433	2421079.253	4361964.87	2759752.207	2157307.79	3254566.028	2579509.922	3160396.791	5288531.539	2805182.221	1469162.327	2754623.952	2223133.423	2872535.191	2272761.172	2543070.113	2941410.94	2647092.529	2759827.735	2562824.594	2473348.325	2463740.291	3523702.672	2028873.127	2238699.718	2360373.41	2187909.848	2735470.64	3393824.906	3038559.91	3353929.996	3295472.954
MetSul	4460727.246	3727506.202	5188394.676	3944288.017	3873304.94	5824626.565	4062029.766	3345822.049	6542699.437	5172318.573	8616508.319	7791586.218	4604653.186	2177868.997	4567101.933	4655705.369	4980192.668	4494629.085	3786789.14	6878285.023	3887638.787	4884674.564	4547699.526	4597706.371	4424139.915	5626388.42	4327279.173	4306301.534	4430162.318	4280186.391	9185613.797	11234186.4	5697590.724	5449862.264	5021010.437
N-acetylglutamine	72668416.05	51825821.32	86823851.5	88210061.85	65955017.42	86147200.44	76427313.54	93439839.49	88719181.81	90930656.46	87797705.58	71911557.14	72743820.62	39797204.42	71565885.33	94195311.53	85406564.64	68505298.98	55168174.45	85843909.72	88956273.63	73289851.08	63218771.14	77839101.56	82041014.31	85638108.43	109059597.6	90429225.12	84788449.37	126061091.3	102915200.7	81805679.42	88983429.99	88034449.52	103489598.3
Ornithine	493843.2788	284118.1805	372491.527	455342.562	478348.0145	340761.804	364963.5893	663482.408	701032.4767	516114.5707	692898.115	465341.2525	532330.603	398519.973	509079.9497	784459.421	668825.0983	597390.305	427703.9368	634632.7297	511217.277	576176.4682	463345.1878	467063.425	639198.3263	786764.0248	655900.2635	744179.192	382049.4538	724348.7515	867376.6508	750474.1613	732208.5795	704705.903	816477.9803
Phe-d8	25188530.92	25022769.28	29880033.1	25220758.84	24273020.05	30549006.19	24482044.12	25328804.49	27984177.61	27965155.76	29556885.06	29697080.74	29693020.82	22805457.81	26839240.34	27370194.06	23919977.44	24439738.76	22551029.62	30355512.67	25405020.18	26966197.25	28139278.23	26633815.08	23697993.37	30403252.23	24649145.08	23023152.03	26691244.07	28194490.68	25036683.03	25203004.33	26053101.97	26978970.89	27147211.28
Phenylalanine	28025901.53	31589174.52	32754487.49	29631855.76	27731034.61	40526390.81	31511468.5	33189462.24	43811972.88	36013132.42	48997169.66	41540915.63	37326529.16	16749726.42	33603322.43	36092744.84	35036849.59	29478517.52	33013947.26	55962442.03	29372049.75	36501556.35	38194285.1	37443838.49	31200821.66	43823695.8	33664481.89	37695247.48	33738807.87	35711752.89	46925408.56	52648761.61	37239939.66	37208494.78	32741091.7
Phosphocholine	10309238.92	10624214.69	13212593.44	10287565.97	9534963.533	17259291.96	9702432.579	10387575.72	11917778.38	12686482.76	13763900.99	16593158.68	15183521.55	10304396.24	11338429.59	12952501.17	11188957.53	10311387.98	9754688.913	11835600.27	10901766.89	11074820.68	11138651.32	11432709.87	11019836.41	15851237.62	10345007.62	10120215.67	11656916.07	14470505.01	10229006.91	10750336.04	10253442.53	11329151.76	11508913.28
Phosphoethanolamine	653694.0259	632138.1514	598936.2071	626363.4656	677318.8515	594454.6335	659802.3532	660059.6901	614864.9598	581060.9039	604812.889	607625.7737	615587.9091	687421.464	624668.9181	563933.3768	637993.2667	640485.6191	635402.737	582701.0012	617200.6521	642119.2376	631742.6184	632903.0397	615019.3887	597350.3605	654595.536	658537.4691	577112.6047	627931.1293	633319.2687	637858.6831	642225.2773	586683.1483	623358.1378
Proline	10190397.93	8581875.047	12518970.68	8484510.777	7798264.557	25294245.61	9062049.688	8942439.933	13435018.25	13962415.71	15210055.45	25161300.92	15800052.46	8468049.369	10168993.45	15161627.46	12014973.09	9546212.171	9386076.356	11228003.86	9287028.467	11482542.14	9392662.122	11420254.29	10118332.35	16056683.33	8574402.543	10559462.68	11010652.24	13193924.4	14218962.23	14149600.99	10196683.88	12324982.41	19802057.08
Propyl-l-carnitinne	65748.56209	89064.31058	77089.07637	88563.11706	80377.06244	77363.08404	80920.61317	70988.27393	95268.96053	59819.647	82525.78894	89801.42969	85868.47181	58811.49716	89441.5872	74911.26888	71390.89062	77308.9951	65228.79496	84214.87421	77646.55909	83128.53198	82901.36026	93810.273	88478.77359	103558.7765	59719.16744	76484.02273	75550.47234	72715.16385	62412.39314	89026.97252	82486.5206	84716.51653	59265.61459
Purine	71999.96562	67363.7595	73956.23359	71372.39374	63488.18542	79958.90778	70739.72129	75331.87734	88039.78255	77858.52421	95152.04741	85864.23694	74945.55401	56504.07418	77079.00725	80387.65544	76998.02064	75979.80573	67107.1792	97089.2114	70011.70995	81080.43686	77446.44904	79010.55387	76381.56157	87453.98652	77939.49594	82952.00406	73447.24896	73973.35108	90119.00033	101584.0889	82113.36523	82587.61371	77207.00952
Pyridoxine	3940234.6	4936096.349	5459246.88	4690464.53	4451053.273	6069738.251	4287362.919	4173147.075	5239829.115	4552305.774	5638220.035	6228631.019	5760197.32	3668830.038	5084954.785	4613632.028	4495539.337	4329877.124	3968886.238	5656533.605	4451102.605	4975593.04	5203711.277	4947705.573	4695602.14	5887361.507	3987503.086	3818277.479	5031829.574	5375712.816	4126241.267	4567294.243	4435055.783	4967341.899	4499425.058
Riboflavin	2205130.976	2506836.319	2851632.732	1519323.025	1837399.303	1828577.757	2019226.082	2356960.575	1738519.996	2940159.96	4415534.07	1899243.713	2741966.233	1480038.424	1796430.267	1921149.879	2495970.576	2043465.943	2196625.897	1747198.811	1412400.747	1527161.058	1604852.197	1559723.354	1038208.681	1018020.839	2666237.5	2160600.134	2962809.258	2780056.154	2739915.889	1707655.035	1723290.424	2860490.352	2329829.74
Serine	2381303.03	2203539.271	2581808.522	2386843.851	2324481.293	3069448.062	2155675.504	1951512.593	2574229.708	2549924.09	3409590.155	3875116.47	3266606.867	2457056.351	3427152.686	2334512.041	2954625.686	2484146.676	3709184.368	2716644.404	2796552.974	2792136.865	2704035.849	2434764.502	3071179.587	3264500.558	1657231.042	2090568.252	3546223.967	1734726.765	2173077.461	3150338.831	2423284.852	2660590.639	1876046.043
Serotonin	3268464.431	1177503.349	1322863.468	1782668.294	4738470.63	3312165.655	5978497.991	3911668.086	5818441.835	4264720.409	2780477.578	1499970.881	2473784.53	2541280.496	2361805.646	4693728.29	3445640.288	9644188.143	2110805.192	3368495.125	1838688.463	6231115.32	1561824.611	7373740.808	6282422.079	4508622.536	3724756.211	8384283.09	1708779.109	6722681.138	3261862.301	2620702.323	6035885.559	2953630.526	4947299.104
Spermine	11038848.69	13731461.22	15209994.16	13400763.1	12946249.86	13039489.92	13880728.17	14308802.89	16926300.72	10341218.46	21676147.28	14367537.77	16453184.26	10712870.19	14198685.49	13748775.81	14890153.62	13150803.74	12341346.34	16639322.43	11201572.39	11831893.29	11615792.1	13884506.92	15376479.85	13567694.69	11881765.37	11248618.78	12056358.28	14327982.61	12202914.52	15008689.51	13179768.69	14513477.28	9906644.251
Taurine	141404263.1	164062829.9	170258914.6	157658350.9	151729499.1	174689364.7	151658984.6	143832250.9	160388716	145678543.4	165181766.1	177284629.9	175557297.9	123359615.6	164030701.8	147989185.7	154799556.2	151210138.3	146121573.3	169641621.7	149614241	157641976.3	163044616.8	157613397.7	149446666.3	165785811.6	133737021.6	138149938.2	159137539.7	157531000.4	143369638	155570071.7	151671614.2	160979520.4	142514420.3
Thiamine	63041.03325	58940.8595	90722.47	47827.22625	62521.95575	73344.32308	67013.7355	22295.42175	104225.2178	199691.8565	189745.4873	157640.0113	153640.9731	114216.3515	167115.9998	149474.0845	226885.478	125881.6065	73659.4955	120031.611	57988.19525	87835.3815	89780.4865	103849.9008	111934.66	138446.5302	148183.7498	214945.0291	152336.7003	160787.3237	110442.1445	161794.8248	205254.304	181429.7138	159507.4257
Threonine	15533055.41	15899862.26	21094377.78	23832051.71	20322312.49	20675871.36	20085612.01	16904403.52	21750259.93	15092590.44	19261031.01	27048120.03	21824053.17	11775828.61	20789584.91	14719896.1	20915066.92	18681755.78	17698837.04	19209165.64	19385823.52	18903905.83	17738124.07	18174115.14	19368357.04	22275465.79	13689765.1	15467729.65	20082369.23	16593751.57	15908441.94	20741812.9	17523254.62	22581141.78	17164952.68
Thymidine	160695.05	115726.103	192083.2958	192938.6103	124510.213	186588.2243	138699.2374	182752.0563	247066.1632	198376.2544	385595.5435	186747.6085	159317.2976	113496.6711	155824.3415	150328.7545	147008.1196	146839.381	110485.1252	155505.8481	126706.108	133628.5731	141477.3975	154401.7348	176053.5011	175670.8686	130226.3234	163887.742	149223.452	154419.7984	160038.5572	153587.9306	147483.5386	170733.6013	143375.6515
Thyroxine	16062.50862	11670.49291	10637.48048	11260.68901	9440.043446	12967.05548	9808.472991	14954.34103	12348.76691	14834.17875	12276.72035	10847.43238	12234.25912	6218.9492	9865.173835	15556.37156	8654.223359	10173.23442	7893.112829	11898.92134	10615.27072	12272.34863	10604.81591	11358.60166	9517.518074	15081.91714	17144.21141	11515.99813	15494.43632	16447.64736	11746.15108	10385.32127	10633.36499	14560.02857	17124.33309
TMA.1	39516686.92	39072826.02	43036566.14	40560872.94	42671055.04	47130774.46	43491957.86	44061248.52	45192589.84	37411962.59	47458141.05	42645035.11	45139516.58	36228928.25	39283333.83	39304699.26	42343765.79	41941090.3	37550973.16	44813988.59	38469472.04	44655069.28	45762871.27	43109660.76	43494110.41	44641951.19	36330496.97	44267575.66	40572715.68	39898203.93	38009024.06	44217306.4	44454478.97	44576672.83	38937333.05
TMA.2	88616404.47	87725847	96283365.04	91673757.2	98208662.41	105485347.1	97005979.63	97267325.21	101170647.6	84757156.91	106552440.7	96695382.82	102356051.8	81930659.96	87171372.93	88993902.28	93776571.96	94534855.02	84722941.98	103074240.4	86609552.79	100844862.4	104009255.9	96440110.29	98946912.92	101857965	80936964.1	98684405.26	91786223.9	89503525.62	86052235.83	100612179.9	100644913	102556920.3	87890818.05
TMAOd9	171101205.5	193554808.4	204714399.1	186502827	184672568.3	211335122	186267537.7	170370943.8	188978539.7	181234918.5	197838970.5	205630126.8	207054709.2	193050237.7	199144102.3	189080748.2	168933395	179355171.3	172227686	196790327.9	188709769	196512019.8	201680715.9	196508462.2	186567997.2	211490971.4	176177007.4	175563356.3	186178847.4	197867011.5	173594860.7	184366088.5	193529416.5	192696057.8	174780951.1
TMNO	68981731.08	8255735.725	20799504.68	18053369.4	27378421.29	14809010.41	21092819.86	69988378.4	12990254.17	40253653.29	19564912.47	14651755.14	14084300.11	8032571.657	10878834.18	23099187.74	46189274.1	27215679.52	17322559.22	30190807.64	11939095.12	26967906.38	25031886.28	13017056.9	9819228.703	9668457.118	35402307.49	23643705.04	18946733.56	33236260.88	44715567.52	8946577.815	11596992.01	17606523.26	68360613.11
trans-HYP	5486839.223	5226843.373	4994014.103	5142697.937	5910459.832	4979182.979	5402130.819	5355821.329	5370834.985	5278256.361	5132729.5	4900437.473	4963301.913	6236882.872	5811276.483	4907363.944	5336982.857	5365736.29	4898579.772	5246290.874	5134070.865	5943174.934	5843705.43	5188672.633	5405606.298	4809406.157	5071387.586	5312228.551	5056059.549	5385048.547	5006116.104	4871251.711	4886643.568	5280860.065	5564662.988
Triidothyronine	104495.9823	59633.08775	88275.73357	130976.9418	123063.6238	80140.973	91047.2595	77604.36732	249691.8614	154225.5231	91515.74425	105052.6246	128704.9267	37485.78575	145024.5755	146104.5645	219413.4986	199131.6655	35012.45075	107739.2148	94534.69957	86229.92153	56157.7575	129590.3148	210371.0925	249262.2225	121233.1628	516321.1574	38192.15131	172165.8478	40760.2731	162214.971	306452.537	179834.2005	109524.3756
Tryptophan	17207339.71	15301947.56	19118293.78	15415708.37	14406351.16	19155990.28	12195659.54	12310155.41	20120831.44	25331271.74	24532576.48	17867397.39	18337563.97	5944651.974	15423744.6	22837153.55	14556270.85	11735229.69	14728624.02	26614730.71	17487865.34	16235494.19	16424985.67	21280532.93	16628431.26	24787072.65	17990803.57	19250504.07	19233685.24	21541273.93	37800680.58	35564362.37	17628423.33	17193913.14	16024891.06
Tyrosine	4681018.608	3938435.123	5380058.101	4174335.089	4038564.544	5846156.942	4168171.202	3558989.167	6780300.273	5464683.807	8941050.452	8090145.08	4754529.785	2354643.256	4663664.649	4837324.021	5315765.996	4593421.036	4011033.589	7239690.538	4071132.841	5056494.226	4694362.713	4811475.317	4709197.247	5840415.425	4523751.53	4487373.899	4558950.871	4506363.955	9456441.671	11520548.08	6008019.172	5706925.957	5247200.532
Uridine	24926791.07	17914790.98	19121083.26	35936758.57	29209497.89	18967008.9	22784697.73	25262555.71	69574948.91	37921628.78	36534258.51	25736723.38	26246482.65	11758737.72	33923445.81	44966139.98	63723665.51	54444622.8	13204110.45	28344440.01	33367471.55	22031319.02	13296074.4	40055692.21	66803440.7	61523054.43	32009026.7	59234329.4	11190292.18	35926272.55	15583210.55	41014531.46	60765468.75	57503857.7	27362628.28
Valine	7706625.396	8724421.192	7219944.973	8686772.221	9387150.383	10327479.95	9695086.556	10708735.84	11176332.23	7149929.775	6455299.2	9631558.399	8507501.998	5026099.163	7423536.834	7125179.987	8816195.128	8041474.126	9488146.211	9737261.565	8781170.47	7886053.941	7957190.08	7391351.829	7550526.791	8361955.803	8817380.711	10597674.51	8475439.737	9217371.575	11878498.17	11802974.3	9316256.466	11891441.43	8121251.38
Valine-d8	5296009.741	5918297.393	5300635.453	5486245.407	5996641.607	5343210.129	5798438.314	5291914.868	5285656.127	4687567.712	5233139.281	5520683.152	5399946.066	6607236.299	5520215.379	4805109.447	5302702.873	5562289.97	5690391.432	5386635.901	5522189.323	5524977.894	5719549.71	5422491.215	5176781.366	5243121.597	5148456.994	5304616.658	5100014.668	4751403.836	5180673.026	5359558.08	5525739.107	5253092.758	4877136.481
α-keto-β-methylvaleric acid.1	27889.03476	38778.32525	57603.891	174125.8977	122048.2458	114220.7875	66006.53475	34385.489	442977.7331	79378.6191	381675.4933	95090.78921	101529.2524	38962.75975	65925.28275	258199.479	285248.1883	144739.6735	26691.9995	110560.9623	250965.599	53013.6595	23644.2985	160629.047	411801.0051	210492.1895	92205.24995	285025.4283	39249.7565	85476.3765	33995.91475	74602.4875	331735.9265	202845.7785	54053.276
α-keto-β-methylvaleric acid.2	2755823.501	3719969.23	4997387.719	3277517.821	2460847.82	5875530.292	3042884.244	3162462.5	4220543.592	3767312.484	6657389.198	6779177.183	6510877.149	2702749.563	4465398.323	3976535.201	3196244.47	3135218.441	2912890.96	5291118.782	3002964.631	4006957.499	4476622.718	4143978.729	3736101.305	5788426.987	2403326.133	2638587.569	4336146.442	4491139.081	3947919.697	5444583.143	2842999.254	4180433.125	3261192.019
α-ketoisocaproic acid.1	170651.2992	155928.2923	162679.7344	164110.3712	156477.3871	181147.766	163370.9218	177501.8701	192952.3547	163014.2383	164308.0766	159879.4617	149175.5894	165211.2281	162998.0058	168388.5917	165493.4344	167224.6788	158094.9529	154468.5538	161433.4582	161365.9109	162114.0031	161099.4278	156617.6026	147439.153	168307.4188	162967.6963	162565.9845	158267.9369	157004.5466	160231.602	163259.2784	168624.2827	156648.818
α-ketoisocaproic acid.2	3211.029381	3166.792887	3789.259697	3218.86246	3372.580303	3656.291684	3328.661167	3298.328476	3285.266488	3571.996377	3418.087071	3716.707972	3486.680836	3311.334276	3448.224219	3486.095643	3487.612485	3334.7969	2954.159917	3491.775975	3358.596631	3454.252319	3607.463516	3397.275815	3218.49678	3719.782136	3272.572363	3202.599729	3456.088809	3321.063481	3364.661236	3388.230053	3471.539627	3282.11276	3460.640128
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RefMet Name/Standardized name	PubChem identifiers	KEGG
1-methylhistamine	1-Methylhistamine	-	C05127
2-Arachidonyl glycerol	MG 20:4	-	-
2-Methylbutyrylcarnitine.1	CAR 4:0;2Me	-	-
2-Methylbutyrylcarnitine.2	CAR 4:0;2Me	-	-
2-Methylbutyrylcarnitine.3	CAR 4:0;2Me	-	-
2'-deoxyadenosine	Deoxyadenosine	-	C00559
2'-deoxycytidine	Deoxycytidine	-	C00881
3-deaazadenosine	-	-	-
3-IPA	3-Indolepropionic acid	3744	-
3HK	Hydroxykynurenine	11811	-
5-Aminolevulinic Acid	5-Amino-levulinic acid	-	C00430
5-HIAA	5-Hydroxyindoleacetic acid	-	C05635
AAD	Aminoadipic acid	-	C00956
Acetoacetic Acid	Acetoacetic acid	-	C00164
Acetylcarnitine	CAR 2:0	-	C02571
Acetylcholine	Acetylcholine	-	C01996
Adenosine	Adenosine	-	C00212
ADMA	Dimethylarginine	-	C03626
Alanine	Alanine	-	C00041
Anandamide	Arachidonoyl-EA	-	C11695
Anserine	Anserine	-	C01262
Arachidonic acid	Arachidonic acid	444899	-
Arginine	Arginine	-	C00062
Asparagine	Asparagine	-	C00152
Aspartate	Aspartic acid	-	C00049
BAIBA	beta-Aminoisobutyric acid	439434	-
beta-Alanine	beta-Alanine	-	C00099
Betaine	Betaine	-	C00719
C4-butyrl-carnitine	CAR 4:0	-	C02862
cAMP	3',5' cyclic AMP	-	C00575
Carnitine	Carnitine	-	C00318
Carnosine	Carnosine	-	C00386
Choline	Choline	-	C00114
Citrulline	Citrulline	-	C00327
Colchicine	-	-	C07592
Cotinine	Cotinine	-	-
Creatine	Creatine	-	C00300
Cystamine	Cystamine	-	-
Cysteamine	Cysteamine	-	C01678
Cysteine	Cysteine	5862	-
Cytidine	Cytidine	-	C00475
Cytosine	Cytosine	-	C00380
DMGV	Dimethylguanidino valeric acid	-	-
GABA.1	gamma-Aminobutyric acid	-	C00334
GABA.2	gamma-Aminobutyric acid	-	C00334
GlucosePos2	Glucose	-	C00031
Glutamate	Glutamic acid	-	C00025
Glutamine_spec	Glutamine	-	C00064
Glycerol	Glycerol	753	-
Glycine	Glycine	-	C00037
Glyoxylic acid	Glyoxylic acid	760	-
Histamine	Histamine	-	C00388
Histidine	Histidine	-	C00135
HomocysteineN	Homocysteine	-	C00155
Isoleucine	Isoleucine	-	C00407
Isoleucine_Leucine	Leucine/Isoleucine	-	-
Isovalerylcarnitine.1	CAR 4:0;3Me	-	-
Isovalerylcarnitine.2	CAR 4:0;3Me	-	-
KIV	3-methyl-2-oxo-butanoic acid	49	-
Kynurenic acid	Kynurenic acid	-	C01717
L-Homoserine	Homoserine	12647	-
L-NMMA	Targinine	-	C03884
Leucine	Leucine	-	C00123
Lysine	Lysine	-	C00047
MES	methanesulfonylmethane	6213	-
Methionine	Methionine	-	C00073
MetSul	Methionine sulfone	-	-
N-acetylglutamine	N-Acetylglutamine	-	-
Ornithine	Ornithine	-	C00077
Phe-d8	-	-	-
Phenylalanine	Phenylalanine	-	C00079
Phosphocholine	Choline phosphate	-	C00588
Phosphoethanolamine	Phosphoethanolamine	-	C00346
Proline	Proline	-	C00148
Propyl-l-carnitinne	CAR 3:0	188824	-
Purine	Purine	-	C15587
Pyridoxine	Pyridoxine	-	C00314
Riboflavin	Riboflavin	-	C00255
Serine	Serine	-	C00065
Serotonin	Serotonin	-	C00780
Spermine	Spermine	-	C00750
Taurine	Taurine	-	C00245
Thiamine	Thiamine	-	C00378
Threonine	Threonine	-	C00188
Thymidine	Thymidine	5789
Thyroxine	Thyroxine	-	C01829
TMA.1	Trimethylamine	1146	-
TMA.2	Trimethylamine	1146	-
TMAOd9	-	-	-
TMNO	Trimethylamine N-oxide	-	C01104
trans-HYP	trans-hydroxyproline	-	C01157
Triidothyronine	Liothyronine	-	C02465
Tryptophan	Tryptophan	-	C00078
Tyrosine	Tyrosine	-	C00082
Uridine	Uridine	-	C00299
Valine	Valine	-	C00183
Valine-d8	Valine	-	C00183
α-keto-β-methylvaleric acid.1	(S)-3-Methyl-2-oxopentanoic acid	439286	-
α-keto-β-methylvaleric acid.2	(S)-3-Methyl-2-oxopentanoic acid	439286	-
α-ketoisocaproic acid.1	Ketoleucine	70	-
α-ketoisocaproic acid.2	Ketoleucine	70	-
METABOLITES_END
#END