#METABOLOMICS WORKBENCH renpingl_20250107_141746 DATATRACK_ID:5510 STUDY_ID:ST003695 ANALYSIS_ID:AN006062 PROJECT_ID:PR002293
VERSION             	1
CREATED_ON             	January 14, 2025, 6:52 pm
#PROJECT
PR:PROJECT_TITLE                 	Investigating the role of 4-diets through 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 cecum 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 cecummice 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:PHONE                         	+61432953638
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	35
ST:NUM_MALES                     	35
#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:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C59.2	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C59.3	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C59.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.1	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.2	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C61.3	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C61.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.1	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.2	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	C62.3	Sample source:cecum | Diet:chow	RAW_FILE_NAME(Raw file name)=C62.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.1	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.2	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF58.3	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF58.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.1	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.2	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF65.3	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF65.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.1	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.2	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HF67.3	Sample source:cecum | Diet:hfd	RAW_FILE_NAME(Raw file name)=HF67.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.1	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.2	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS56.3	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS56.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS57.1	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS57.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS57.3	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS57.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.1	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.2	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HFHS66.3	Sample source:cecum | Diet:hfhsd	RAW_FILE_NAME(Raw file name)=HFHS66.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.1	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.2	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS60.3	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS60.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.1	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.2	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS63.3	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS63.3_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.1	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.1_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.2	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.2_cecum.mzML
SUBJECT_SAMPLE_FACTORS           	-	HS64.3	Sample source:cecum | Diet:hsd	RAW_FILE_NAME(Raw file name)=HS64.3_cecum.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse cecum samples were collected at the end of the experimental design (after
CO:COLLECTION_SUMMARY            	30-weeks on the diet) during the cull. These samples were immediately clamped
CO:COLLECTION_SUMMARY            	with metal clamps and snap-frozen in liquid nitrogen and stored in -80 degrees
CO:COLLECTION_SUMMARY            	Celsius until further analysis. This process was approved by the University of
CO:COLLECTION_SUMMARY            	Sydney’s Ethics Committee (USYD # 2017/1294).
CO:SAMPLE_TYPE                   	Cecum
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	36 male C57BL/6J mice were allocated to four different diets (n = 7-8)
TR:TREATMENT_SUMMARY             	consisting of a control diet (Chow), a high-sucrose diet (HSD), a high-fat diet
TR:TREATMENT_SUMMARY             	(HFD), and a high-fat high-sucrose (western) diet (HFHSD) at 8 weeks of age.
TR:TREATMENT_SUMMARY             	Mice had ad libitum access to their food and autoclaved water. One mouse was
TR:TREATMENT_SUMMARY             	euthanised prior to the expected experimental endpoint due to the loss of body
TR:TREATMENT_SUMMARY             	condition and was excluded from this study. 4 samples were not collected after
TR:TREATMENT_SUMMARY             	euthanisation making the groups (n = 7-8)
TR:TREATMENT                     	Chow, HFD, HSD, HFHSD
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Approximately 50 mg of ground cecum 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 and
SP:SAMPLEPREP_SUMMARY            	NAD 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           	HILIC
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	Peak Area
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:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:chow	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hfhsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd	Sample source:cecum | Diet:hsd
1-methylhistamine	42124890.36	37822641.93	40965048.74	75219236.76	43400624.12	37089067.19	41802787.04	150859872.6	51240884.9	35557844.65	44015847.09	37654734.43	44001089.79	43861760.26	37503684.8	48038816.26	41385811.21	44993574.13	46982142.1	39223712.04	37232966.08	40092765.47	51020238.38	60823431.38	41479763.01	59914517.53	58774467.72	73868220.89	42106122.16	60132542.26	74134487.28	48527250.7	50274822.98	46680324.84	89699565.86	
2-Arachidonyl glycerol	694915.142	586239.8565	580165.8935	380520.18	396442.3524	390001.207	156616.5523	293654.7145	341051.5105	650352.7785	505230.281	588760.2835	507205.0005	390693.429	532704.827	614224.8325	564482.3625	500031.6792	790362.773	588667.417	371826.379	692802.5515	636518.0879	719269.8855	603725.4095	500761.658	453042.463	442291.745	407574.0988	548790.9145	330793.0365	280505.043	367089.0785	407151.2825	676880.0148	
2'-deoxyadenosine	12408.263	33252.112	30823.591	33286.112	21990.7455	18195.651	15527.1035	18326.927	19836.9405	23122.8805	28870.6925	25030.6955	15746.1215	18500.3955	32132.5295	31825.4645	34137.305	25975.913	29519.6825	29143.596	26442.396	36802.952	27716.486	36221.4915	23451.394	25394.501	21489.251	12589.2925	21915.164	30069.741	11909.77	11782.704	26989.9405	20942.4735	32426.6345	
2'-deoxycytidine	735406.8305	2763244.029	930745.42	2922928.988	2328843.373	3700907.337	2268760.801	4438775.523	2359433.106	1573909.759	2708865.418	1186399.384	1520928.663	3985171.603	2166220.101	1652922.483	2895157.86	6283004.414	858356.569	1092114.029	1339747.578	887926.1715	1065544.161	785019.723	1782847.825	1292167.704	806465.7175	1842966.518	1217642.565	1859862.378	730737.7658	1450360.697	1822064.444	2089526.171	2672881.258	
2-Methylbutyrylcarnitine.1	101134.556	312036.1045	63478.47927	51431.1125	254611.4685	51173.403	98702.6965	92535.909	933669.522	2109170.291	230123.1185	58887.888	52098.457	192224.811	148084.461	123533.6215	79695.019	73744.08749	1383169.794	100215.7535	258276.4734	184215.072	372348.2958	452481.3785	127651.865	476625.994	445624.5966	154413.9335	1733444.026	80998.886	67193.6575	49757.0165	2864922.246	128199.6645	179414.259	
2-Methylbutyrylcarnitine.2	116289.7983	217831.4496	218159.5484	179575.4727	143811.2408	120825.4583	144744.567	102366.5208	559500.0912	1267235.993	481277.0223	132326.6477	184345.5	509737.1715	322570.2945	323765.8838	444093.36	395418.8766	824815.911	609129.6795	319643.0924	390376.2407	1220958.338	442023.8096	1325895.052	475026.9587	406191.2155	270859.2065	1073923.022	248904.5778	455930.1591	278040.2674	1654608.048	234676.0195	788299.1477	
2-Methylbutyrylcarnitine.3	795540.5671	1139609.246	1276394.457	1530139.488	1956520.787	1439808.104	1664952.566	1755660.873	690735.2402	577482.2085	1245982.126	777213.8712	1804644.083	1576027.313	1513393.235	700114.5481	932391.0372	2851557.259	954005.5864	994627.1686	1866547.331	764125.1814	1576400.803	1061794.538	1113105.095	1178693.505	767986.3587	362246.9964	722649.2289	550845.3689	1658997.953	1660133.047	1071374.163	933789.8085	1106537.588	
3-deaazadenosine	80548.00082	240777.4005	283774.19	612267.153	452176.8415	615235.8205	403722.9765	648666.9879	470222.762	639427.368	543918.8265	263962.4805	440245.372	856088.912	611490.4025	530587.675	678029.6465	734350.2015	375356.638	425545.456	516038.369	424824.0455	368290.6145	316496.764	494333.248	429744.0375	256387.6115	733985.906	466202.4935	409412.245	374657.3345	418328.801	549922.6236	469433.496	517336.1955	
3HK	35561.6535	19665.5425	41448.3245	35186.593	27425.9515	37543.82928	15313.857	10711.051	25219.0495	19933.31	32213.974	34091.979	22455.668	36040.8895	29442.9945	26244.3325	21150.5775	33885.1025	24106.5105	91862.7825	16330.4475	35961.7605	27183.5205	112152.508	37797.8865	24713.523	30363.4305	37526.044	16732.8275	55385.9875	32203.171	28789.5375	19786.5755	23669.914	19235.781	
3-IPA	301325.253	1403055.172	879706.26	1308501.192	967137.5885	2858493.863	1334692.177	1890547.039	687265.568	510096.713	1584642.042	599302.6135	1608912.568	2132246.996	2134841.104	657362.7445	981842.0675	1307590.008	458894.3875	375668.326	144777.5165	627664.9445	856538.4845	285910.3345	489227.0745	812298.849	457173.933	274155.497	290791.487	464374.912	603633.5035	456546.815	765097.839	1018759.783	303582.877	
5-Aminolevulinic Acid	143037.454	141552.1165	48659.2325	64901.6285	129410.257	26459.755	24407.914	35357.749	281587.2595	428734.1405	121848.817	31034.918	38472.814	163811.3505	86543.71	83910.36	63976.4815	35236.4945	420901.4045	61796.4685	159845.5685	104305.4005	243148.769	208631.8625	29713.504	148759.293	207914.9255	74987.6805	416768.487	85193.515	58773.9515	137761.9515	494864.9517	71529.547	80609.161	
5-HIAA	51951.86363	83700.3395	91277.01876	56044.26555	95421.43766	56781.43913	173449.4485	97335.3178	74927.4795	66178.50578	86370.06307	62059.08791	58049.4795	86690.00453	73012.90436	57082.05927	106697.7649	61445.2968	78967.7285	102554.9263	79899.2915	92877.94637	79320.127	96164.87	101629.5949	101821.4965	51106.648	54811.09318	33274.92264	36146.266	42528.72893	56192.54	219711.061	77583.50464	72494.10204	
AAD	197636.541	488315.1995	777993.638	649299.877	543536.9695	604982.6465	894702.16	182440.449	882110.5885	397398.1975	910208.857	678281.98	382735.5165	623721.5635	415592.9065	822171.235	460969.988	243427.6695	492179.9215	604758.0505	388625.657	738134.418	710508.8235	1945406.489	1362627.119	328885.8555	572658.106	364044.418	687533.637	1710702.998	81148.816	1277945.943	465076.393	893444.1655	636664.802	
Acetoacetic Acid	335801.4095	305935.2685	245604.313	307567.5945	330652.6185	287536.28	285010.6045	299976.5835	343272.6535	824060.9385	241255.0635	324947.988	289897.79	247250.07	256526.798	303964.283	280295.2125	297581.239	736191.0215	238578.2905	288459.524	280364.8665	236423.761	261750.319	229140.697	313928.5165	265853.2425	324136.487	557553.7735	297029.117	293773.3265	311521.119	744406.685	269104	233203.446	
Acetylcarnitine	28956035.61	56891157.73	4914696.456	16819285.52	85069792.74	15958509.11	11021139.81	25380338.74	138633094.2	146897925.2	33738536.56	8309200.394	16527643.59	87497988.03	23436204.41	26548129.73	11618122.03	10260047.29	184305604.2	7147330.776	106180708.5	34867500.17	50344985.08	65914154.18	4136586.118	35398290.01	87440648.79	21234628.43	286082449.9	19585525.01	15771307.2	32814395.69	141182533.6	26296685.27	46339296.26	
Acetylcholine	40253727.44	51750280.12	54621525.34	25611732.62	24323535.5	19617133.46	20023792.68	13566647.03	22286960.26	39638386.36	40504896.29	43467744.5	22322790.39	21636560.55	39329220.9	42545764.95	32703181.28	17144834.7	51954768.79	53340383.76	25256595.2	56133698.07	33512690.86	63156598.3	56598721.88	28114237.63	31416332.79	39114396.46	23275079.7	45589630.41	27773315.31	28190756.18	16995534.26	30890742.17	23818693.09	
Adenosine	840377461.3	1593395351	638108613.9	1677686358	1590210077	1919900158	1461083118	1998521786	2228514455	1516401622	1309621940	1053531915	1199000631	1741682156	1005174758	905334148	1392740253	2031225921	781255362.1	385044121.7	846881968.1	626492948.5	526485462	557247639	612600482.6	482349558.2	427195513.4	1478579463	949229181.6	1393296268	635291289.1	744210539.8	1539427587	1040924296	726089251.9	
ADMA	16447806.47	27330605.38	17553357.11	6559438.483	18986469.16	23513736.09	21817856.06	5160311.591	8502556.824	48779441.45	22435601.84	14906665.91	16826634.46	16856820.04	26128454.16	20402915.07	37207449.24	23713997.82	31391912.34	31425461.35	23444749.77	21365605.83	21096479.45	21106636.47	31415247.22	17459855.41	17265620.82	5342024.481	10142269.67	6299055.771	4221826.3	4567346.944	9536993.216	9132894.566	4512479.772	
Alanine	8618785.81	11071452.18	10309645.36	7928588.193	9393406.83	5880727.788	8246491.615	7999944.087	14770289.01	22078922.79	21960723.1	6646631.253	8917689.642	13353766.53	11286243.91	11088540.64	12847685.71	22217386.95	19585538.33	19820345.2	16704238.57	16518319.88	26594522.42	18652314.34	21409882.21	22750849.65	21459601.75	6612206.007	15889545.62	7275638.771	12501998.23	7969768.165	31264238.92	8460280.761	14252105.27	
Anandamide	266807.3458	247551.717	283958.47	254834.6793	253644.067	281893.8325	241618.9435	198612.9109	211661.518	228803.3015	309817.5028	228893.514	205360.6895	198293.6365	260261.085	235391.3015	217764.9755	207483.0979	257047.7182	289480.1405	239773.7915	308821.297	280468.6425	234317.693	236897.7775	200279.7761	244058.9305	229588.586	245197.1057	258732.6367	252508.282	197448.8289	145582.5865	173642.3202	295887.088	
Anserine	1832537.846	1055918.454	169044.873	90910.1715	231502.74	153693.189	89875.4445	348499.574	283044.67	638884.275	221665.8828	68606.5855	72423.91591	445677.4916	96670.9155	203073.1165	147709.128	255611.884	1190338.843	1026827.799	629018.3844	702861.8685	891326.5472	187273.5585	54986.8165	192940.395	1553430.289	1084499.275	1031354.462	166514.9435	181646.4445	521322.5346	990114.2175	244547.5375	542375.894	
Arachidonic acid	15895550.12	27289193.37	27722079.04	13122532.1	13958384.68	13311210.81	9223241.066	10167760.34	12741918.13	20878691.19	29918500.26	16449239.12	14032440.99	11233386.38	18243889.32	21234330.62	17490472.6	8998362.284	28452292.26	23642418.66	22472232.07	23006270.84	32206050.1	20027989.34	17218238.92	16739071.01	22235687.24	14704152.18	10468590.32	23347812.66	9873005.634	11425682.48	11100876.13	15217425.69	19358639.17	
Arginine	124352494.3	254106865.9	182190492.5	110480019.6	108525045.8	143639393.2	81232580.15	32345857.46	144852616.3	46976175.38	201837880.8	34693502.81	23724872.67	108619094.2	113116984	31379841.61	19671581.11	25276679.61	44642760.48	156432388.3	101132975.1	30611305.8	206756868.9	21953390.35	51697268.45	114846805.4	249630420.2	57018125.05	105315275.1	114054304.6	222547255.2	134942789.2	201326850.9	52258678.37	163738054.6	
Asparagine	1765768.384	3591247.374	1474728.821	340056.535	1274655.08	909174.9703	1687711.546	827428.7896	392589.5737	281794.8825	2014087.779	629665.4988	564278.2279	1845592.284	2186421.644	1081617.764	1132258.546	1455749.362	327237.1486	2724651.639	1754808.68	831353.6896	1244838.625	470687.3677	2165854.143	157789.2195	2270085.682	232803.1522	708550.9133	1202449.87	3691927.399	784529.5997	2845503.13	718656.9441	3070376.484	
Aspartate	39430234.82	59158501.87	48244712.33	72621984.01	22992014.43	58706124.28	30044221.36	45193738.99	34717939.38	85673492.24	79681613.11	44040905	51663317.23	43445760.82	81790774.64	98195163.92	86485523.75	62611173.31	54377096.5	71352616.12	54977580.83	62098494.67	64771165.46	111334233.5	69415747.45	34812104.83	42791360.14	28881317.98	20779634.93	20179336.91	24122424.7	18177103.67	29844208.3	36753070.86	28464689.08	
BAIBA	238591.2575	589838.1849	302197.0507	199829.839	210383.78	261386.1216	160724.102	199157.4599	247633.107	1079483.164	410324.7414	194784.493	246525.9817	231155.401	213274.0185	330208.2705	429295.997	495801.6305	864429.7498	663365.7839	649041.1538	472077.8701	589852.3382	400495.6321	305750.3629	333628.348	341169.239	323608.102	259660.558	189660.7984	136816.6165	104561.204	422752.6669	139901.7	174374.616	
beta-Alanine	2285665.204	2429888.343	2752194.274	2225534.627	2096236.974	2345926.269	2159987.296	1829090.558	2216209.336	2297913.369	1322563.031	2264209.647	2205547.13	1347393.514	1684302.228	1721355.87	2178060.665	1306044.937	2036415.516	1637011.037	1898411.949	2229126.701	1184119.402	1916376.708	1489106.06	1744495.712	1394104.703	1788123.785	2304380.642	2008315.687	2149088.802	2421916.627	1667298.712	2012660.243	1348408.062	
Betaine	140207476.8	140370590	79742865.4	143878758.3	168272177.1	146607600.7	121334586.9	165030867.8	308197723.8	279922502.3	140019653.1	142877783.2	246717233.7	192505085.1	153940131.6	158943634.8	160882343.4	153394646	270660404.4	100469461.8	161695452.8	119818683.5	120005667.4	162913386.3	85771517.06	142378020.6	131600357.4	122885060.9	216160270.9	107394881.1	187726635.7	165789503.2	354567646.3	120603594.8	77204629.63	
C4-butyrl-carnitine	5136075.837	14652188.57	395816.0765	4221423.578	14093699.19	2085420.797	3165994.952	3479017.467	24009276.75	69348876.42	9926980.357	1210256.417	1769602.476	8469180.915	5775189.903	3486856.993	2592939.716	1691754.338	46641048.17	1661834.224	14028315.18	6259189.437	34920807.71	30842953.84	235507.9736	18386050.92	30417533.56	4457165.23	60290116.19	4007021.37	2042555.478	1547297.193	61601046.24	5288822.486	4806574.301	
cAMP	39930.03853	41460.89971	53319.62221	78443.71651	95503.52665	81853.15984	123787.4805	102537.7862	55871.23087	35793.95288	65135.08918	43505.78807	44979.54679	206432.9455	82075.98389	55932.4314	79592.62258	135842.8754	29817.32585	69495.50051	97888.09062	75493.81349	102876.9648	44745.51696	680433.1228	71645.99412	129624.81	56330.5031	116278.1897	102085.3855	72859.53962	104306.9627	78468.06201	123398.5045	207484.2185	
Carnitine	77173228.03	119881506.8	41088506.49	53912716.15	57987462.36	47567363.28	52349130.96	29061650.77	109418697.4	171750183	116190699.9	67112535.8	23443097.96	58801964.88	79118054.54	69155541.61	38079591.26	30685047.41	138127620.1	55605437.04	51095373.15	99305603.37	48005451.79	185694720.3	30498895.42	47221774.19	72451454.43	109326063	132483725	78117264.48	27509681.76	59326824.37	200993986.2	34167690.1	32430506.71	
Carnosine	3625167.9	1842631.576	1822163.545	2969174.146	2486276.994	3655565.455	3140928.515	3581730.34	2954207.831	6193155.263	6456748.409	1981761.185	4203283.551	8931977.332	5339893.869	4402395.464	6888040.493	9187303.968	2782964.529	6606415.218	4975054.299	4609518.157	7320602.983	5542747.993	9274047.022	6531845.515	6558482.172	4348560.642	5514138.288	4828483.628	6355035.671	7582074.413	6668685.642	7678371.014	12634413.68	
Choline	5292451.448	8793445.09	3443817.284	6287891.335	10699875.33	8619586.067	7277328.571	10416243.58	18786772.9	18407614.05	7756642.429	4636977.425	6754383.452	9441649.045	5750823.662	4392836.664	8171161.945	8074861.345	15364339.27	7595736.975	9328360.617	4907676.246	10278027.75	3617101.454	2964374.207	9773943.709	10520329.41	5362186.154	16800713.3	3463164.994	4136002.745	6833525.987	23357023.95	9025707.403	6132097.426	
Citrulline	10321434.61	12930061.02	17040105.44	15919563.53	8441786.015	15331767.75	16426097.41	33444045.86	6980292.136	25196821.82	30178497.03	20689920.95	22216555.79	31777307.5	21265245.24	36036555.73	44589798.05	51433032.02	22397934.08	34962588.54	35999850.82	38707814.12	30998864.41	48118530.17	63269317.9	26837915.14	15464308.4	16570646.62	10737480.07	12889170.17	4683539.245	6596108.553	12953087.89	19617195.68	38378681.63	
Colchicine	77391.97444	86129.98969	9788.937998	94508.21262	180045.7715	73725.3846	126683.9655	160332.4745	73319.75864	14028.2515	79413.90953	32372.213	40488.0165	42271.9045	111945.04	80160.031	89194.4795	53111.16043	33229.5595	164806.6035	44635.85	79959.97001	137949.7243	52271.201	59745.4975	45608.023	274535.6155	77561.80971	203479.8356	44722.95354	65469.40981	28273.3805	7916.3145	142712.8033	92993.377	
Cotinine	53455.5145	48719.4055	47368.8425	29154.223	44301.299	34282.988	47051.9995	37758.3735	23489.181	61318.494	42291.402	39670.6565	36213.3805	54422.437	49764.8595	39015.0295	41780.92	38314.1405	73705.061	59253.7525	46146.168	33472.1475	41652.21912	57405.897	48793.767	45723.2365	59401.00649	38619.175	39871.1935	40103.927	7356.961	29834.964	7136.3395	23121.775	37208.6455	
Creatine	26997744.2	33707069.3	42065253.11	50088584.34	41061791.74	41786246.22	43383294.93	40104427.42	50650664.96	35138778.96	33317877.39	36175037.17	39162335.58	40342996.79	36370338.42	39964299.67	40470547.68	33532416.56	34459215.58	32002558.26	39789855.47	32629363.81	33505125.91	34082256.17	34943440.19	46116520.39	35122817.25	39694101.66	41561781.68	41144478.47	41328921.93	48378243.88	41976351.17	39572283.39	27874149.54	
Cystamine	286282.8297	336681.372	363029.5964	303564.7907	424973.866	235920.067	303773.8095	333797.53	519212.472	887467.887	515367.482	267329.4626	366166.0239	431372.7382	436745.27	407186.126	339927.5961	276575.4253	998340.3702	521640.9508	471089.4079	422133.7645	509170.6525	911582.968	702582.1555	630185.457	2431144.926	1534083.769	1864953.145	1581852.734	317391.9382	267400.805	817098.0814	261016.5345	433889.6037	
Cysteamine	117859.561	193221.3035	59192.0065	143856.292	86879.7405	145766.9745	107794.4505	137884.6565	393262.3995	97670.5315	3544227.983	2306141.591	90229.4135	172286.9555	96937.3005	69400.63	106210.1775	56821.657	163357.663	106867.6375	70550.986	69048.284	102959.793	95766.1155	85317.43	109295.574	1940172.409	176971.763	2726695.3	116495.468	472804.956	219500.292	197099.4371	342882.484	189743.9525	
Cysteine	21629.941	26361.7465	14207.524	12879.4755	13664.3395	10193.065	21462.84814	25214.691	116844.849	148957.938	45763.204	6830.2745	21997.408	23524.3395	18674.7715	27798.9805	14984.806	39548.593	129412.006	22303.302	65542.9895	69850.763	47469.07	9483.6025	12328.3265	15561.87	38277.5365	8032.097	115016.5731	5595.0795	21230.896	10502.908	397159.5545	11949.0975	32039.857	
Cytidine	14979630.97	55482502.05	43920574.01	86984244.57	85186472.22	120877187.6	76591686.97	147141268.8	85331489.6	89780728.71	111819811.7	40500246.13	61644882.18	146796687.6	85091124.25	77072523.22	109070401.8	190505910.6	61754369.57	76623745.4	77694897.22	59315113.23	86612900.09	64250589.76	97525115.25	68252990.22	68915099.01	125667989.4	71189786.19	73971815.71	46645286.98	73269006.98	110491148	73115018.56	139817091.2	
Cytosine	11233996.98	38864122.75	27415026.08	55878468.24	53858720.67	76201206.17	47263922.36	109397419.7	53540529.13	60590697.63	70668581.9	29508964.15	39814287.07	94718776.16	57144856.01	58739538.66	83154078.73	156037300.6	43442381.24	52396331.46	58330845.1	39862826.71	56531863.85	44325859.2	63834175.36	44447039.73	43704147.91	78532458.94	43970383.8	45336770.35	28641511.37	45119655.74	64253674.14	48748244.32	87491268.24	
DMGV	135375.6915	120475.5841	165904.318	103573.759	257865.552	210223.5365	349053.296	133749.003	227042.0615	194689.434	142446.1291	189894.754	227481.5995	212276.5908	179479.679	141806.64	120729.4076	239994.474	177124.922	463802.0935	275066.8902	236082.6275	292461.3194	259435.284	276848.379	211467.9738	267358.612	98232.8035	169620.9424	146442.7071	172348.0943	242441.272	430902.5275	140391.8333	252215.3239	
GABA.1	974.779	1171.037	N/A	4736.428	N/A	1876.4745	924.2745	549.7235	753.322	1300.129	781.836	762.975	918.873	386.7065	389.88	1720.2155	2131.67	N/A	2189.9	1335.8985	1295.891	2847.525	586.8525	1509.3915	2092.0555	1701.7915	1754.4425	1789.78	534.683	1901.564	1272.4045	1750.4465	1310.0025	914.583	2374.699	
GABA.2	170292.419	383188.093	257138.3895	151429.299	184209.2787	176206.05	111957.003	147682.1255	198340.7675	697918.5027	310052.0891	177031.525	189742.9591	164087.9785	171740.0273	241544.1845	325438.1459	347170.9933	628912.8411	491168.7922	457622.8625	361816.6935	382346.5004	331851.2635	244583.2265	286063.0616	250367.113	210834.134	162638.005	145531.8426	120970.655	106697.7135	312053.9777	117135.988	138951.7076	
GlucosePos2	9157.444	107274.4815	100288.8445	111696.107	41871.45233	82404.6285	54042.04758	65644.971	73460.2225	51076.03443	15482.6365	65321.411	N/A	76096.635	131128.5815	101506.7895	353205.1241	88508.4875	N/A	51570.1495	48316.635	68231.3785	54810.46108	N/A	100657.075	81365.0655	N/A	87868.1655	99547.73	N/A	68353.571	65959.161	19566.1625	12300.67287	70878.824	
Glutamate	177343222.5	193110543	298608225.8	165010593.5	94587880.46	117276013.1	86362351.14	136978273.9	114827288	229808097.7	301685955.1	156419366.2	157041837.8	147494916.2	189286123.9	270223067.8	210858322.2	247747778.6	202213952.1	211301075.5	169768412.1	240262180.5	186139558.2	342031157.4	261958599.6	145016823.3	168472502.8	126534819.1	92327966.87	205425515.2	120950512.9	112067827.7	99103211.62	103035772.8	129764197.6	
Glutamine_spec	3203744.737	4130370.983	4559205.421	2020077.617	1885445.773	1610112.285	1569259.541	1154565.376	1753530.219	3022535.088	3265444.862	3517933.403	1807516.396	1688422.686	3093570.855	3441278.352	2595797.773	1308213.754	4028507.237	4425258.171	2117356.699	4491533.155	2546526.446	5090307.857	4500263.026	1978888.381	2403153.72	3019112.633	1923950.884	3572878.369	2216917.897	2233643.889	1252433.876	2431868.634	1825491.868	
Glycerol	5876.627	1808.3465	6492.466	1791.647	4928.7595	1193.2315	1547.807	7073.326	2474.273	1853.6545	2562.758	2405.248	1457.651	2604.8315	1104.863	4904.869	1456.223	6629.6525	1591.9355	2256.239	10249.33	1325.238	3336.174	2161.868	906.6	1103.0795	1057.9155	4550.293	3622.008	4063.4515	1833.3315	3709.503	10458.734	5519.311	5920.928	
Glycine	231570.8555	351754.632	321143.607	204529.857	284292.332	209518.471	220028.3855	361079.2135	559649.849	645404.908	490016.466	206885.0825	256391.92	439818.676	268771.738	312848.7285	400022.2265	946992.931	519748.0205	434600.63	368988.3955	313304.2205	530342.3405	416519.116	421369.332	374030.658	427436.8865	188097.9375	408931.0635	171573.0925	234822.423	143835.3203	967375.983	189296.1425	252596.723	
Glyoxylic acid	29207.0635	17256.985	21708.9275	65616.7135	181465.9605	13076.539	11879.9865	147763.3485	25132.4128	21517.607	86755.863	16245.598	38875.6355	24300.6525	8061.6405	15090.0245	37081.747	58526.058	15860.2335	28767.6595	13651.9105	25167.145	21690.376	65883.794	28962.236	31307.531	45572.9645	50620.131	14290.7905	57214.3095	61963.557	33099.839	18252.8565	30391.647	41106.6695	
Histamine	799193.4773	983915.3876	1831351.514	1249135.227	682145.4031	733759.5143	860143.5996	1156693.978	1390722.074	1815663.332	1827163.905	912906.4578	1584925.154	1111262.989	1259157.768	809567.122	816853.4336	1070543.741	770625.6009	589831.5133	597419.693	1272081.573	1405669.117	982859.1919	1093750.413	564156.9533	922010.5191	832861.0323	1051916.67	1568078.603	1518130.314	661260.618	2656407.96	943482.7836	934739.7989	
Histidine	27938600.56	68090826.27	28316170.68	27709145.43	40240462.63	50422901.18	37889774.86	82910870.13	40841314.65	93038136	110966685.9	27786837.08	55392621.69	51081671.86	38211175.23	58936582.06	76606354.45	150609732.2	42972114.48	64680482.57	60148308.86	43286673.17	71311079.94	34630089.72	40940029.9	29093923.99	58451609.74	18229929.69	33451093.58	13820725.19	41333692.19	16956653.36	65047806.8	22335072.78	26903411.19	
HomocysteineN	1371383.39	1176331.696	1710157.903	3673063.649	1160907.241	1093795.211	1184901.091	2491318.981	1098197.311	2115278.351	2308684.631	1108907.126	1376260.595	1296921.937	1319809.524	1931456.319	1245815.743	1355330.048	2029815.335	1207360.528	1070606.036	1188207	1168987.843	2628470.761	1381849.278	1428992.671	1685070.943	5112471.749	1642088.554	1598697.372	4883043.371	1864393.71	1833522.735	1818292.869	4469436.94	
Isoleucine	2600356.347	2031755.635	5551522.382	4323807.707	3133185.512	2984720.454	4549257.868	3388161.436	4565799.348	6491412.661	13166643.28	3267179.201	4760011.577	8145588.736	6003032.514	4685768.228	7884918.264	16768208.22	4061820.346	15989688.65	13665953.37	8911210.417	22468459.04	7602316.16	15701429.16	10272059.32	13110719.6	1917781.576	5041502.658	3419673.346	12037154.72	4014725.756	13949096.06	6541638.293	9547036.408	
Isoleucine_Leucine	43533390.82	33112747.8	86948560.04	74446816.26	57079338.24	51378864.4	80903325.02	58700024	78425046.05	118830826.9	224614420.6	60179255.33	82426797.91	135105277	107541944.3	79536378.36	142365009.6	259826128	68752445.64	238712267.4	212233515.9	144724277.4	371078978	121027743.7	255997235.1	171657677	231336803.6	31632058.37	89593756.21	55454884.45	180585286.8	67527037.58	237722137.2	101597410.8	177080647.6	
Isovalerylcarnitine.1	1059238.334	3199107.22	130311.0875	530438.367	2547827.706	502515.0285	832707.677	740424.718	11397506.97	24994307.69	1880886.227	302298.2515	372473.0215	1578242.865	795141.911	576772.067	572167.8605	337694.655	15404667.76	426403.1635	1713256.579	811362.9294	3687474.98	4603849.932	223570.0521	4695599.684	4231939.169	1175095.796	20072998.95	678848.3765	484474.2675	455703.434	33608842.23	1322789.448	1289251.06	
Isovalerylcarnitine.2	473599.819	1215159.81	62018.36168	190579.716	1028351.063	286337.5984	308639.6959	322749.8055	4295831.731	9218906.394	753710.944	144072.7919	169365.7802	690567.8832	325331.886	207157.1394	206960.9845	144672.1703	5895775.119	129339.2831	709920.15	349131.3865	1293258.028	1688427.937	100416.3346	1900561.882	1759560.965	427744.0415	7578845.359	336151.5492	168732.239	238314.881	12943753.51	503139.935	457388.0806	
KIV	6718.228	12052.3005	8239.3135	5980.3635	3843.03	10663.4135	12845.8835	17247.5345	8553.9065	3537.057	12522.1035	17125.251	13860.86566	10422.071	6836.3345	6701.8605	11874.474	15143.34598	5925.295	12267.8125	5081.463	24329.9145	20538.80132	6592.2305	5335.886	8074.978	6761.789	12742.8855	13250.317	9933.555	5660.027	14770.3335	4822.017657	2730.049	16502.049	
Kynurenic acid	6607665.632	15925641.29	12546465.55	10537909.56	14621085.34	9287782.392	20361557.61	15821496.42	11195216.3	3134883.123	1769331.609	5249493.055	11230152.36	11079749.03	5587717.643	8274017.295	5198041.097	7736636.203	6651633.694	5654702.603	8267329.555	5281294.404	8147609.268	22710950.86	17998894.26	12249996.09	31605442.63	16865987.78	11648976.84	16960051.92	9425824.683	12186425.19	12742843.94	13453516.43	14272124.91	
Leucine	12723081.6	13835137.97	4817176.437	7466015.406	12306023.76	2990013.676	2890428.36	4072384.608	30225337.1	41887916.8	15826653.44	4294292.934	4969827.51	13617596.93	8786460.516	8979125.522	6400956.11	3714589.138	37290901.34	6585536.446	19699582.27	9518569.082	21768609.36	19823295.71	5483024.934	16767886.95	20299826.98	8874642.142	36923744	8017108.587	6245842.568	13097881.76	51588656.31	7784230.099	8982345.365	
L-Homoserine	4618155.46	4753711.494	6595825.616	5486497.668	4318095.523	3938122.335	5178932.759	5183488.115	6262818.079	8266960.628	12949436.93	4323684.662	5411807.631	8615157.098	6074574.483	6352479.861	7551307.608	12953836	6123355.961	12070322.07	10834029.23	9021290.834	14650331.02	7295092.297	10316309.87	8898739.01	10966789.35	2160096.79	5542650.03	4059584.174	8200495.184	2861111.553	14123876.44	4562458.726	7996123.312	
L-NMMA	3331580.207	3384268.065	3024786.161	1657342.338	2226341.876	2673088.069	1500562.403	1244445.813	2519149.866	5157887.252	1813777.969	2737312.524	1612704.841	1892637.824	1826680.96	2500209.89	3465047.083	2227777.087	4281638.075	2339029.526	2497985.214	2173044.103	2329334.827	3487698.463	1616770.759	2869879.243	2264335.428	1780334.702	2019061.332	1821863.144	968544.8383	1139040.714	3019543.579	1570955.03	749009.0308	
Lysine	5885239.61	14513501.36	19522483.19	12926997.36	14841219.14	13501422.37	16100876.67	15368339.26	18456321.72	24101788.48	30866157.89	10907905.41	13924432.08	28602055.26	18693317.11	18527974.38	21280508.29	32782426.76	15141237.84	34360960.25	30189461.79	20827732.91	42112636.31	15876802.05	21266471.19	20417498.41	31470942.52	5736778.231	22494081.01	11839619.24	21892549.21	8256966.404	59786655.44	8837597.053	24929438.14	
MES	3264.024	2868.0635	2992.1915	2885.073	4138.1975	4475.953	3709.335	4389.1715	5154.8005	3219.8885	4043.66	2679.828	3408.666	4110.949	3629.529	3679.3245	6534.219	3167.1445	5609.818	5247.7425	5235.2395	3483.0535	23504.3615	5434.509	3728.9785	6927.6955	3307.3235	7517.0335	2678.1375	8233.032	4156.261	3511.384	2526.9685	2652.207	4838.0205	
Methionine	3000494.738	2487471.713	5872772.713	4156536.193	2839564.74	3538664.552	3971709.521	4089028.811	3999600.955	6961377.959	11278622.2	4234310.117	5389020.737	6624525.86	7040050.811	6317327.361	9381315.748	11751664.67	4555813.029	11298757.99	10910802.98	8224043.57	16426216.01	8990845.776	15968028.68	10055931.8	11442387.15	2721526.343	5187763.241	3977858.423	8786057.478	3934606.321	12023414.46	5454695.422	9888205.678	
MetSul	6326444.356	7557222.242	12022825.26	7294671.292	6316127.462	6906071.922	8999498.722	9467753.348	7605643.313	14402067.39	21941744.48	6383042.629	7700530.584	12519241.18	9003228.073	8551558.025	12515272.28	22464825.65	8301557.841	20875456.94	17200951.54	12759341.04	29962749.93	13051487.93	22557397.73	16114892.65	18040369.3	3137259.34	7286918.798	5581074.558	15143531.05	6252858.691	19768246.06	8931448.248	16311394.32	
N-acetylglutamine	9988315.017	18240494.96	14453620.78	10568457.12	11789507.17	12538865.1	11993431.26	7347974.88	11799378.68	20314506.59	14514644.52	8765362.854	9257730.905	16638217.7	11509832.45	13898360.06	14462060.17	12224029.51	17826141.92	15949910.93	16401880.87	13496234.3	22007475.63	15943377.57	17536936.02	14311607.15	17653080.44	2423451.016	9304029.374	8362306.987	6689779.154	7747209.077	16428306.79	10608036.18	4761630.807	
Ornithine	4985139.23	11362085.93	6391476.158	6001894.13	7174312.853	7343637.141	4473468.362	12776991.61	7125195.012	12094609.85	10793791.29	7751159.228	8360671.575	15768238.33	7555318.478	12085034.87	20581894.56	31356816.71	13159701.97	10567966.8	11551289.31	9427397.024	16604393.91	11320428.27	6060720.411	7608397.553	7158944.933	4348254.919	4814713.948	2198849.258	2575629.337	2457623.614	9194753.176	3083482.656	9849451.583	
Phe-d8	29209655.92	30191114.93	30915819.59	29139986.95	26238338.41	31271742.2	28062586.56	31682477.87	28454227.16	28609130.5	32091402.64	28108285.29	27799198.18	28256389.06	27785265.18	29647508.39	32959461.74	30206968.12	32735841.62	36544281.74	30335834.13	29877425.04	29718578.59	32678965.41	30034100.06	29778055.17	31761404.49	28973757.69	29035943.05	29443601.38	29143576.6	29289553.64	32034700.84	29733225.27	30165120.65	
Phenylalanine	29034794.2	22515225.43	62298496.34	51201521.42	35133129.14	36026114.17	42698301.31	41629245.26	59274395.08	89623670.9	162905511.1	47865646.73	81710666.35	89299177.48	90811091.04	65320565.52	120268464.1	161523039.5	57391373.93	164306650.4	167947453.8	106919288	262439640.5	86491456.32	196948932.3	133734702.2	156672706.8	25325651.08	59491908.86	39787250.9	120413050.9	48607827.92	175413206.7	68466492.88	129818553.2	
Phosphocholine	5551191.185	5367229.936	5172386.803	5803098.426	5418091.591	5394479.952	4823273.871	5927863.006	6027095.191	5048805.6	5787621.155	5531923.528	5731593.964	5600046.523	5055636.959	6239098.228	5443211.384	5512856.971	5622898.829	5215775.48	5220479.259	5797004.377	5758710.357	5641502.603	5577270.38	5480851.552	6240807.266	6063627.919	4742235.68	6407727.707	5488512.514	5597139.943	4728484.705	5266313.183	4525996.71	
Phosphoethanolamine	120299.7058	275186.7065	186959.637	107288.23	116068.002	129522.808	231705.6685	344600.168	151405.2002	197291.811	208045.068	86944.179	108606.1755	275424.137	192723.834	175082.1886	136621.21	87111.157	226771.051	142610.748	111368.7598	126900.187	153754.6925	207228.8465	204154.5635	119246.565	175955.7495	112620.408	130232.042	124974.0115	144139.572	161329.741	219301.7125	148756.808	125882.4135	
Proline	115088048.1	218221678.5	186088718.4	119016943.7	141463451	127551340.1	156080615.1	193501260.9	106837116.8	220617383.4	248785915	129761769.8	156595141.3	181396796.1	187675068.4	162496587.9	214483642.3	252208829.1	189411767.4	223151894	199746444.6	169434620.8	196187883.4	192666534.8	185774434.9	177884031.8	176176942.8	125536729.9	110588967.2	89111406.87	162587995.6	111469760.5	188225388.3	112105091.6	121747226.8	
Propyl-l-carnitinne	29316.63	58484.03757	53498.755	115326.189	47765.5695	129305.5215	59869.13281	415611.6415	51142.678	41581.0455	91698.6675	77910.215	35015.54808	69256.677	49266.018	74883.417	70388.168	94877.231	64589.454	76049.8275	46620.984	54836.4785	111028.3415	80423.333	54577.0355	120054.697	61210.8125	97673.8295	47653.749	97429.7795	109412.6155	59841.5235	91369.7605	47001.002	106466.5007	
Purine	182442.8244	299394.0375	347187.25	288680.5396	358010.4329	377653.851	450674.482	321951.3618	212999.2268	387378.8169	475233.6625	332989.5635	445623.0295	581421.1005	484295.753	207773.5182	499046.3655	433641.4843	202789.7751	625111.859	598998.4125	341360.0252	568413.107	269457.1426	564824.0915	328921.234	369436.2475	133081.9568	176937.8389	184375.9091	517283.7525	449514.9965	330483.8244	429638.742	340066.3803	
Pyridoxine	420551.4665	657947.0325	474619.5885	408913.7194	458538.5476	160995.121	168705.113	215882.7165	405096.6823	243080.7535	308194.7158	416487.3615	262355.289	648005.797	753849.391	228210.884	521567.5135	479877.507	691553.7	359278.597	483302.6634	571359.0945	447320.2275	537758.257	249942.2405	719042.657	489464.792	351098.7705	919514.001	483592.322	411914.5125	598035.0425	721179.3412	264397.172	213782.052	
Riboflavin	44862394.55	30031574.88	66932528.3	26603753.15	22045451.83	34978811.5	35243093.06	24718718.93	25546916.33	96296591.29	99675304.67	54785929.99	51299687.52	62141805.56	101262452.7	109370393.8	89032280.1	62844105.76	103841668.1	119718408.2	117371843.7	107818037.5	200165160	171441867	188812231.2	121074262.5	92606230.92	33082817.75	28438997.37	44662123.44	37072941.85	27569103.27	19899039.22	44719083.71	94422270.94	
Serine	628902.4807	695103.5628	933058.739	607962.1905	808713.654	612437.2043	780273.4008	652808.336	955731.6878	1228498.367	1382552.304	694761.2798	695618.5575	1229419.185	928532.4505	948840.206	829495.3523	1094123.761	1141712.232	1331371.317	1755636.229	1189144.391	1958390.242	893323.0437	1595978.736	1286233.754	1697265.858	683698.4822	1029015.125	583772.1505	1222030.969	646776.25	2515883.23	610059.3134	1246629.287	
Serotonin	1985659.036	2702385.974	3110103.036	2947022.409	1677696.51	2874996.763	2604544.146	6545096.219	1391595.555	4808580.369	5355771.987	3786086.757	4231694.74	6187972.149	4018683.334	6536637.014	6947511.628	9484307.626	4129389.186	6128232.632	6839733.551	7236319.718	6038098.967	8611545.583	11600515.7	5075029.999	2960933.964	3050084.335	1988270.237	2355510.341	1190226.857	1266504.059	2437395.294	3354674.952	6890174.497	
Spermine	19179980.16	30371166.87	20349159.64	7776012.172	21888396.89	25591712.52	26364648.45	6008553.803	9971207.187	57304989.44	25423285.59	17875869.84	19650941.17	19863014.72	30198639.37	23760151.9	41618695.1	27931235.67	37290801.19	35299850.93	26289138.16	23664658.41	23954499.85	24546937.31	37419769.61	19716931.62	20231266.86	6493131.247	11561881.2	7045273.453	4842448.448	5390240.359	11082341.42	10744189.35	5140909.898	
Taurine	15715057.21	34708949.92	15670363.14	23771963.06	45332083.44	41568132.36	23471949.33	34501663.14	71593821.1	72981733.58	45656810.85	13980228.05	73161170.72	94319139.84	32247372.26	32143791.34	28505486.36	100893967.1	54843284.26	39015906.1	30732154.36	19396525.25	55455256.94	19471739.54	7416444.427	29489287.2	38478049.04	7130005.622	93799728.37	6655874.809	6208929.279	8437756.357	131813063.4	33621763.36	68300285.48	
Thiamine	3394961.161	2190210.954	2407751.253	1320352.074	2456065.398	1714182.729	2627035.979	2745455.053	2648408.138	9494707.688	8009516.385	7128290.632	5554582.763	7223165.972	10765950.62	5273524.425	9380783.063	8902562.08	6570405.449	9576220.553	9817520.671	6113657.073	10547886.6	4483162.784	6490227.956	5910750.975	10545298.59	1263143.325	3236085.104	3037603.949	3078279.42	2200988.782	4722214.915	5622624.668	2712362.543	
Threonine	4671950.425	4634718.414	6775007.401	5339323.107	4432501.565	3831535.95	5147567.806	5382442.895	6163093.782	8053806.87	13093148.42	4310884.685	5438390.404	8758562.293	6000104.729	6457949.297	7680160.095	12810781.53	5889860.393	12153904.32	10937736.93	8983846.589	15197110.57	7476969.656	10474316.59	8920634.538	10702751.13	2154367.327	5485628.97	4014297.711	8314720.16	2823589.092	13930490.73	4676389.677	8190352.21	
Thymidine	630265.1781	627923.6145	566872.895	446635.5408	476795.4204	696224.9601	582746.979	589468.0401	881821.5292	865338.641	1251612.485	508990.4322	724819.257	588102.001	871311.1511	1316532.026	673016.8356	450553.976	485984.8462	656089.553	437119.9005	839539.9668	650989.0999	610951.0548	1122445.017	909261.7229	882900.7809	316407.0858	178265.411	911387.307	261211.8372	381938.3005	83126.889	211519.2365	143775.86	
Thyroxine	149548.7683	230590.4425	167888.5985	74292.848	123265.4605	101694.584	136532.0625	82487.668	74254.055	217894.757	202983.2045	117028.812	68387.4195	95594.975	189059.367	131500.1165	109846.087	130884.842	177747.6005	258158.831	96870.336	195815.7625	224389.4355	277220.14	219538.182	141431.687	221277.4455	170401.1125	96932.32	204113.4645	102047.8635	69184.653	83174.884	103955.1926	155459.507	
TMA.1	26941805.43	41394193.87	25290246.99	25254193.45	35220881.74	30104077.11	25391403.63	31783760.32	54589387.39	62385557.55	35196845.09	25127218.86	22296994.28	31182405.66	26432589.22	25452864.3	31202346.21	26726969.38	56731138.81	36504526.98	30895062.91	30245049.76	37765627.67	32886939.66	23340553.76	32771841.26	37261965.38	25443923.04	51579901.49	22762125.58	18369415.47	25315123.53	68225764.81	30019836.6	22095127.9	
TMA.2	69235041.09	108038180.8	69995229.38	69390248.97	90081874.15	75887958.43	66577088.98	83441398.87	142704629.1	150290609.1	92637778.83	69019880.06	62908665.06	85064414.74	71644131.52	66905494.86	80759547.83	67988740.97	140666561.2	95977133.05	78296873.52	81205604.56	96354122.85	84637957.58	63268865.68	88045383.22	91390780.84	69898832.51	135675127.4	59892129.35	47930017.1	64038214.78	175690166	81757584.51	61415767.19	
TMAOd9	204996393.2	198489896.3	189795962.8	200901132	188013791.4	212873914.2	184747364	195047649.3	176828182.3	183805360.6	178697293.9	206866388.6	216298477.5	169022663.1	190684620.5	194142911.5	214642365.4	187517130.3	196060853.2	208280688.9	171894124.7	191132399.3	154445113.6	197898543.9	174913200.6	181188626.1	163039003.7	208048813.2	167108436.3	190944441.4	189165791.2	210860682.8	156268761.3	182338905.7	135559817.6	
TMNO	1934912.669	3154402.07	2928003.117	2144732.058	5293076.197	2112365.114	1479656.122	2188680.207	6893939.873	4120453.915	1219062.459	1822917.806	1650115.476	4752830.009	1772768.759	1792710.913	1592373.406	1789054.439	6868019.6	1473660.911	3011208.023	1997086.158	2766473.796	1586156.15	1070518.254	1361476.097	1668091.774	2074514.374	28430717.93	1552770.298	1608418.44	1795579.756	14339984.21	2605727.234	3193348.751	
trans-HYP	18216930.15	23894966.75	29140055.48	35263915.13	29441464.82	28694351.2	29418599.48	30661709.41	34197779.56	24686888.49	23104062.41	24207507.34	27886162.75	29719465.64	24593008.47	27229783.71	28099874.11	24073402.87	25074252.72	22758601.38	28216087.18	23261014.95	22322952.56	23427724.36	25797921.05	31213439.92	23891760.76	26739464.35	29324288.02	27736385.59	27598298.9	33405515.67	29747230.56	27029737.95	18880111.45	
Triidothyronine	109247.8105	133661.7226	96930.16083	58067.45842	143838.761	151413.5618	97074.59333	16257.48035	N/A	239177.9065	96975.2215	71969.93373	72423.832	54968.11629	130898.3292	254878.878	94522.23703	80860.45855	376436.411	138440.217	157722.806	226683.8935	207584.6684	207259.7844	363004.684	175952.0535	142823.5948	92029.91913	68641.59798	142176.9768	64845.92805	108188.9882	104423.6665	66411.7475	78908.26963	
Tryptophan	15394255.94	24877186.51	25716444.79	22500036.2	35252459.75	25389696.43	35367899.41	45650844.17	22330234.34	27003916.36	62635375.24	19188771.76	29293543.02	42442429.09	36529232.93	21835670.75	35706482.98	148710992.8	22671596.43	62796427.25	56282753.92	31039806.41	90063537.91	32698093.51	46293143.58	39167100.82	44525449.86	8233331.194	16185821.89	16070057.9	38122868.8	14295076.82	67650074.43	21231910.5	33738612.76	
Tyrosine	6265910.893	7596985.66	12229189.25	7121642.056	6537023.862	6964497.284	8532479.716	9234265.379	7598095.405	14235195.23	21841014.22	6148042.849	7578878.656	12190345.45	9047052.662	8299990.91	12395885.82	22101399.41	8272840.972	21155655.89	17378395.6	12588181.65	29211072.44	13111195.96	23270938.96	15469345.88	18220813.5	3228985.357	7198316.139	5503738.385	14498814.15	6306602.954	19538266.75	8739255.753	15794180.84	
Uridine	14055040.85	14181547.19	23498998.04	18081573.18	9157804.383	10934652.35	12585215.96	15169737.13	20693112.05	23193086.15	28321680.25	12764805.1	24903293.85	18003689.36	17192527.08	11269336.3	13847961.18	14779807.78	12755569.84	9507164.813	8034281.421	18601668.13	21461802.57	16598399.22	18435579.3	9457889.444	16274026.66	11874794.28	13342454.24	22484736.94	19369910.73	9341556.466	36174131.48	14412778.66	14198591.19	
Valine	18075411.99	16824841.25	26724295.51	28003114.72	23453787.16	19854647.73	31710165.61	19350437.18	25142004.64	43862998.6	59576442.88	20025940.67	27140556.56	49558602.75	31116190.38	22391745.49	39549723.72	92117211.78	25548506.22	69854043.48	55086747.85	40176993.83	100142711.1	37513791.33	64094182.8	49211123.47	60144174.55	10952223.62	25068071.03	17666963.45	54940719.53	19685121.92	65122708.24	27387417.11	40746264.32	
Valine-d8	11020105.27	8287180.751	9052424.395	10375863.74	9221996.774	10496150.33	9212110.345	9589908.76	9956651.729	10062769.64	7618019.227	10084257.36	10543225.52	8518205.382	9000551.332	8885880.955	10669788.54	8236498.769	10645849.37	9646154.524	9247769.5	9353206.565	7881378.87	9309192.728	8438672.696	9488115.163	8941289.381	11243847.15	9412177.439	9592028.286	9258686.549	10176512.02	9547057.049	9540744.818	8603591.3	
α-ketoisocaproic acid.1	207051.534	211555.919	427961.5565	107540.7136	376788.4605	269753.36	341025.772	78740.446	144253.3946	94989.3875	117494.2815	105000.338	46796.706	28427.036	115250.098	76260.3435	74256.1035	150694.6335	152686.6155	117879.176	166694.5305	117634.8925	99309.735	221233.9675	218676.086	332867.1825	86042.1315	198776.5605	109920.4815	28380.9195	206292.6135	157003.738	111238.8665	63573.0245	48863.80399	
α-ketoisocaproic acid.2	3076.8965	2254.742	6085.926	4044.8135	5971.658	7970.396	7317.67	2779.7315	15491.0055	5492.086	5216.4705	1968.764	3670.0025	3272.691	5597.577	9029.425	4486.9395	3950.0185	8023.46	3455.6605	5054.8215	4145.7995	6213.404	11213.1445	4377.6965	6870.702	5565.32	2990.999	3515.0145	6614.853	3741.9385	6185.9655	4923.248	6495.8255	4755.066	
α-keto-β-methylvaleric acid.1	103718.251	72708.314	45227.175	289498.9085	210071.6875	138680.7075	210557.451	368467.2545	193698.415	74662.7945	39898.9475	87331.03787	103493.954	128530.2185	77367.5155	96786.613	78847.9375	115081.021	179777.3825	87805.0915	148620.362	88705.304	37274.199	79246.8785	79853.9975	115352.4475	50103.723	161828.4465	62567.0115	35207.1705	151573.16	153877.732	61606.9875	96491.723	30912.599	
α-keto-β-methylvaleric acid.2	473328.7475	880000.3185	666587.165	779484.489	582963.2675	812444.7525	482941.3795	1301311.173	642562.7657	1001471.581	1208582.972	736625.422	735703.7437	1131744.686	879408.007	906292.72	1165829.466	1394828.015	803412.337	1114839.716	1126004.452	1168323.391	1407410.651	1032665.925	1201244.028	1095185.052	1113743.686	647311.141	656046.5635	407647.083	669617.3695	623119.0895	857520.955	673242.889	1243299.191	
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