#METABOLOMICS WORKBENCH zhuyang_20210918_044201 DATATRACK_ID:2848 STUDY_ID:ST001935 ANALYSIS_ID:AN003146 PROJECT_ID:PR001224
VERSION             	1
CREATED_ON             	October 12, 2021, 9:58 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic, transcriptomic, and proteomic profiling of spontaneous macaque
PR:PROJECT_TITLE                 	model for diabetes mellitus
PR:PROJECT_SUMMARY               	The prevalence of diabetes mellitus has been increasing for decades worldwide.
PR:PROJECT_SUMMARY               	To develop safe and potent therapeutics, insights into the mechanisms underlying
PR:PROJECT_SUMMARY               	its pathogenesis are urgently needed. We reported the multi-omics profiling of
PR:PROJECT_SUMMARY               	the liver and sera of both peripheral blood and hepatic portal vein blood from
PR:PROJECT_SUMMARY               	Macaca fascicularis with spontaneous diabetes mellitus with a chow diet. The
PR:PROJECT_SUMMARY               	other two groups of the monkeys fed with chow diet and high-sugar high-fat
PR:PROJECT_SUMMARY               	(HSHF) diet, respectively, were included for comparison. These multi-omics
PR:PROJECT_SUMMARY               	datasets can provide a comprehensive picture of the molecular changes caused by
PR:PROJECT_SUMMARY               	diabetes in primates. Analyses of various omics datasets revealed the
PR:PROJECT_SUMMARY               	alterations of high consistency. Correlation between transcripts and proteins
PR:PROJECT_SUMMARY               	derived from the same genes was observed across individuals for most genes,
PR:PROJECT_SUMMARY               	especially the ones of differential expression. As a result, we found that
PR:PROJECT_SUMMARY               	distinct patterns of the metabolome, proteome, and transcriptome between
PR:PROJECT_SUMMARY               	spontaneous diabetes and HSHF diet-induced diabetes compared with healthy
PR:PROJECT_SUMMARY               	individuals.
PR:INSTITUTE                     	Hong Kong Baptist University
PR:LAST_NAME                     	Yang
PR:FIRST_NAME                    	Zhu
PR:ADDRESS                       	OEW901, Oen Hall Building West Wing,, Ho Sin Hang Campus, Hong Kong Baptist
PR:ADDRESS                       	University
PR:EMAIL                         	yangzhu@gmail.com
PR:PHONE                         	(+852)34115162
#STUDY
ST:STUDY_TITLE                   	Metabolomic profiling of spontaneous macaque model for diabetes mellitus
ST:STUDY_SUMMARY                 	The prevalence of diabetes mellitus has been increasing for decades worldwide.
ST:STUDY_SUMMARY                 	To develop safe and potent therapeutics, insights into the mechanisms underlying
ST:STUDY_SUMMARY                 	its pathogenesis are urgently needed. We reported the multi-omics profiling of
ST:STUDY_SUMMARY                 	the liver and sera of both peripheral blood and hepatic portal vein blood from
ST:STUDY_SUMMARY                 	Macaca fascicularis with spontaneous diabetes mellitus with a chow diet. The
ST:STUDY_SUMMARY                 	other two groups of the monkeys fed with chow diet and high-sugar high-fat
ST:STUDY_SUMMARY                 	(HSHF) diet, respectively, were included for comparison. These multi-omics
ST:STUDY_SUMMARY                 	datasets can provide a comprehensive picture of the molecular changes caused by
ST:STUDY_SUMMARY                 	diabetes in primates. Analyses of various omics datasets revealed the
ST:STUDY_SUMMARY                 	alterations of high consistency. Correlation between transcripts and proteins
ST:STUDY_SUMMARY                 	derived from the same genes was observed across individuals for most genes,
ST:STUDY_SUMMARY                 	especially the ones of differential expression. As a result, we found that
ST:STUDY_SUMMARY                 	distinct patterns of the metabolome, proteome, and transcriptome between
ST:STUDY_SUMMARY                 	spontaneous diabetes and HSHF diet-induced diabetes compared with healthy
ST:STUDY_SUMMARY                 	individuals.
ST:INSTITUTE                     	Xiamen University
ST:LAST_NAME                     	Yang
ST:FIRST_NAME                    	Zhu
ST:ADDRESS                       	OEW901, Oen Hall Building West Wing,, Ho Sin Hang Campus, Hong Kong Baptist
ST:ADDRESS                       	University
ST:EMAIL                         	yangzhu@gmail.com
ST:PHONE                         	(+852)34115162
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Macaca fascicularis
SU:TAXONOMY_ID                   	9541
SU:AGE_OR_AGE_RANGE              	16.3 - 18.8 yo
SU:WEIGHT_OR_WEIGHT_RANGE        	5.73 - 10.56 kg
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Guangzhou Huazhen Biosciences Co., Ltd, Guangzhou
SU:ANIMAL_HOUSING                	Guangzhou Huazhen Biosciences Co., Ltd, Guangzhou
SU:ANIMAL_LIGHT_CYCLE            	12-h/12-h light-dark cycle
SU:ANIMAL_FEED                   	normal food (19.26 % protein, 5% fat, no sugar, and no cholesterol), or high-fat
SU:ANIMAL_FEED                   	and high-sugar (HFHS) food (≥ 30% sugar, ≥ 15% fat, ≥ 10.5% protein, and
SU:ANIMAL_FEED                   	≥ 0.5% cholesterol)
SU:ANIMAL_INCLUSION_CRITERIA     	spontaneous diabetes mellitus and HFHS food-fed
#FACTORS
#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           	Normal-1	Normal-Liver-1	Condition:NC | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Normal-1	Nomal-PB-1	Condition:NC | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Normal-1	Nomal-HPVB-1	Condition:NC | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	Normal-2	Normal-Liver-2	Condition:NC | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Normal-2	Nomal-PB-2	Condition:NC | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Normal-2	Nomal-HPVB-2	Condition:NC | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	Normal-3	Normal-Liver-3	Condition:NC | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Normal-3	Nomal-PB-3	Condition:NC | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Normal-3	Nomal-HPVB-3	Condition:NC | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	HFD-1	HFD-Liver-1	Condition:HFHS | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	HFD-1	HFD-PB1	Condition:HFHS | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	HFD-1	HFD-HPVB-1	Condition:HFHS | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	HFD-2	HFD-Liver-2	Condition:HFHS | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	HFD-2	HFD-PB2	Condition:HFHS | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	HFD-2	HFD-HPVB-2	Condition:HFHS | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	HFD-3	HFD-Liver-3	Condition:HFHS | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	HFD-3	HFD-PB3	Condition:HFHS | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	HFD-3	HFD-HPVB-3	Condition:HFHS | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-1	Diabetes-Liver-1	Condition:sDM | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Diabetes-1	Diabetes-PB1	Condition:sDM | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-1	Diabetes-HPVB-1	Condition:sDM | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-2	Diabetes-Liver-2	Condition:sDM | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Diabetes-2	Diabetes-PB2	Condition:sDM | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-2	Diabetes-HPVB-2	Condition:sDM | Tissue:HPVB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-3	Diabetes-Liver-3	Condition:sDM | Tissue:Liver	
SUBJECT_SAMPLE_FACTORS           	Diabetes-3	Diabetes-PB3	Condition:sDM | Tissue:PB	
SUBJECT_SAMPLE_FACTORS           	Diabetes-3	Diabetes-HPVB-3	Condition:sDM | Tissue:HPVB	
#COLLECTION
CO:COLLECTION_SUMMARY            	All macaques were sacrificed at about 18 years old, and the liver, PB, and HPVB
CO:COLLECTION_SUMMARY            	samples were collected. Both blood samples were centrifuged at 3,000 rpm for 10
CO:COLLECTION_SUMMARY            	min at 4°C immediately to separate sera. All samples were frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen and stored at -80°C until use. The study protocol received prior
CO:COLLECTION_SUMMARY            	approval from the Institutional Animal Care and Use Committee of Huazhen
CO:COLLECTION_SUMMARY            	Biosciences.
CO:SAMPLE_TYPE                   	Blood (serum) and Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Male Macaca fascicularis of about 18 years old were bought from Huazhen
TR:TREATMENT_SUMMARY             	Biosciences (Guangzhou, China). All macaques were born from 16th August 2001 to
TR:TREATMENT_SUMMARY             	11th February 2004 (Supplemental Table S1) and housed in the animal rooms
TR:TREATMENT_SUMMARY             	maintained at 16 ~ 26 °C and 40% ~ 70% room humidity on a 12-h/12-h light-dark
TR:TREATMENT_SUMMARY             	cycle. All macaques of both NC and sDM groups were fed with the normal food
TR:TREATMENT_SUMMARY             	(19.26 % protein, 5% fat, no sugar, and no cholesterol), whereas the HFHS
TR:TREATMENT_SUMMARY             	monkeys were grown up on the same diet until switching to the high-fat and
TR:TREATMENT_SUMMARY             	high-sugar (HFHS) food (≥ 30% sugar, ≥ 15% fat, ≥ 10.5% protein, and ≥
TR:TREATMENT_SUMMARY             	0.5% cholesterol) on 1st March 2019 (Fig. 1a). After one year of food change,
TR:TREATMENT_SUMMARY             	blood and urine samples were collected.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The hydrophilic and hydrophobic compounds were extracted using methanol/water
SP:SAMPLEPREP_SUMMARY            	and MTBE/methanol/water solvent systems, respectively. Samples were first thawed
SP:SAMPLEPREP_SUMMARY            	on ice. To extract hydrophilic metabolites from the tissue samples, 1 ml of
SP:SAMPLEPREP_SUMMARY            	methanol/water (7:3, v/v) was added to 50 mg of the liver, and homogenized with
SP:SAMPLEPREP_SUMMARY            	steel balls for 3 min at 30 Hz, followed by 1 min of a vortex. The homogenate
SP:SAMPLEPREP_SUMMARY            	was then centrifuged at 12,000 rpm for 10 min at 4°C to collect the
SP:SAMPLEPREP_SUMMARY            	supernatant. Hydrophobic compounds were extracted from another 50 mg using a
SP:SAMPLEPREP_SUMMARY            	slightly modified protocol. Homogenization was done with 1 ml of MTBE/methanol
SP:SAMPLEPREP_SUMMARY            	(10:3, v/v) and 100 µl of water was mixed with the homogenate to extract before
SP:SAMPLEPREP_SUMMARY            	centrifugation. For the sera of PB and HPVB, 3 volumes (v/v) of methanol and a
SP:SAMPLEPREP_SUMMARY            	mixture of MTBE and methanol (10:3, v/v) were whirled with the serum samples for
SP:SAMPLEPREP_SUMMARY            	3 min, followed by centrifugation at 12,000 rpm for 10 min at 4°C. All
SP:SAMPLEPREP_SUMMARY            	collected supernatants were dried and store at -80°C until LC-MS/MS analysis.
SP:SAMPLEPREP_SUMMARY            	Internal standards were dissolved in the solvents before extraction.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The analysis of hydrophilic metabolites used 0.1% formic acid (in water) and
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile with 0.1% formic acid as mobile phases, with a gradient (V/V) as
CH:CHROMATOGRAPHY_SUMMARY        	following: 95:5 at 0 min, 10:90 at 11.0 min, 10:90 at 12.0 min, 95:5 at 12.1
CH:CHROMATOGRAPHY_SUMMARY        	min, and 95:5 at 14.0 min.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shim-pack UFLC SHIMADZU CBM A system
CH:COLUMN_NAME                   	Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	LIT and triple quadrupole (QQQ) scans were acquired in both positive and
MS:MS_COMMENTS                   	negative ion modes under the control of Analyst 1.6.3 software (Sciex,
MS:MS_COMMENTS                   	Washington, USA). The ion spray voltage (IS) of the ESI source was 5500 and
MS:MS_COMMENTS                   	-4500 V for positive and negative modes, respectively. Source temperature was
MS:MS_COMMENTS                   	set at 500 C, ion source gas I (GSI), gas II (GSII), curtain gas (CUR) at 55,
MS:MS_COMMENTS                   	60, and 25.0 psi, respectively, and collision gas (CAD) high. Instrument tuning
MS:MS_COMMENTS                   	and mass calibration in QQQ and LIT modes were performed with 10 and 100 μmol/L
MS:MS_COMMENTS                   	polypropylene glycol solutions, respectively. Specific sets of multiple reaction
MS:MS_COMMENTS                   	monitoring (MRM) transitions of various periods of retention time were monitored
MS:MS_COMMENTS                   	according to an in-house library of metabolites.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	Normal-Liver-1	Normal-Liver-2	Normal-Liver-3	Nomal-PB-1	Nomal-PB-2	Nomal-PB-3	Nomal-HPVB-1	Nomal-HPVB-2	Nomal-HPVB-3	HFD-Liver-1	HFD-Liver-2	HFD-Liver-3	HFD-PB1	HFD-PB2	HFD-PB3	HFD-HPVB-1	HFD-HPVB-2	HFD-HPVB-3	Diabetes-Liver-1	Diabetes-Liver-2	Diabetes-Liver-3	Diabetes-PB1	Diabetes-PB2	Diabetes-PB3	Diabetes-HPVB-1	Diabetes-HPVB-2	Diabetes-HPVB-3
Factors	Condition:NC | Tissue:Liver	Condition:NC | Tissue:Liver	Condition:NC | Tissue:Liver	Condition:NC | Tissue:PB	Condition:NC | Tissue:PB	Condition:NC | Tissue:PB	Condition:NC | Tissue:HPVB	Condition:NC | Tissue:HPVB	Condition:NC | Tissue:HPVB	Condition:HFHS | Tissue:Liver	Condition:HFHS | Tissue:Liver	Condition:HFHS | Tissue:Liver	Condition:HFHS | Tissue:PB	Condition:HFHS | Tissue:PB	Condition:HFHS | Tissue:PB	Condition:HFHS | Tissue:HPVB	Condition:HFHS | Tissue:HPVB	Condition:HFHS | Tissue:HPVB	Condition:sDM | Tissue:Liver	Condition:sDM | Tissue:Liver	Condition:sDM | Tissue:Liver	Condition:sDM | Tissue:PB	Condition:sDM | Tissue:PB	Condition:sDM | Tissue:PB	Condition:sDM | Tissue:HPVB	Condition:sDM | Tissue:HPVB	Condition:sDM | Tissue:HPVB
L-Cystine	5492100	3408000	1475100	65437	60338	100710	77191	60496	102630	6042600	4295200	6715700	50420	65440	49490	81699	46985	80946	4991600	2808200	2827400	85793	55101	42221	103160	79246	84038
L-Threonine	6775900	5514200	4896800	568120	626870	487980	499940	570320	414790	8649700	8296800	6288800	272310	254250	637350	246950	157800	411090	6355300	4922100	4191300	486270	283420	302860	370140	250230	254950
L-Arginine	151200	123130	114080	3679400	4058700	3273600	3155700	3067300	3253600	33114	46925	80066	1944000	2732200	4222100	1875200	2243900	3111800	291290	172120	379210	4016800	2264500	2307500	3177300	2155000	2353100
L-Citrulline	1428600	528510	396440	2582000	2185200	2743900	2893400	3406800	3416700	1199900	830960	939910	2202100	2008000	2501400	1969800	3162500	2019600	341210	709940	736670	1668200	1581000	1816700	1807100	3364700	2466000
L-Isoleucine	885120	836300	889180	131540	174430	150390	159220	161930	175710	1164100	1333400	894900	132810	104340	135840	152540	86257	141710	916660	672690	620360	289910	227140	252050	283580	246060	262630
L-Pyroglutamic Acid	932570	1160400	985090	28584	43134	27263	40967	57347	33557	1193500	1029000	2231400	33182	57222	36046	36813	25447	63773	959220	1623500	1951500	43357	37613	44749	26469	40950	41349
L-Serine	4311200	5663100	3400200	202020	394420	260280	184770	383710	260370	6663800	6121300	5169700	248710	209980	352420	314950	191520	217810	4597000	4467700	3889700	322150	192480	270130	226920	174770	213730
(5-L-Glutamyl)-L-Amino Acid	114220	191940	125260	3817.7	20821	6947.9	6256.8	30024	8442.6	53017	255690	254020	7727.5	13392	21678	22044	19969	28573	208380	137720	207840	18787	15302	33165	18656	9149.6	19012
4-Hydroxy-L-Glutamic Acid	37065	59819	37533	7175.5	5465.7	12757	39266	5899.4	13300	31145	47351	34531	16985	18753	22787	10908	23940	13162	41476	45569	92441	27205	3873.8	7605.9	11052	15337	13781
Allantoin	20144000	12858000	12941000	547640	299040	407110	866180	371280	469310	12129000	15863000	20576000	594420	499930	319100	1195100	575210	401720	23652000	23706000	16919000	224320	584230	310880	383330	868900	415650
Asp-phe	72060	68971	120070	15157	34991	98243	13092	13551	23694	86496	142320	81089	200910	95793	47490	35013	26899	13876	200430	39884	14674	121170	39589	72743	28655	13429	20852
D-Alanyl-D-Alanine	115690	146260	309070	2349.3	3755.2	5539.8	6808.1	2952	2820.3	206640	247560	210180	14258	12133	3826.2	2321.3	6668.1	4735.9	315730	170740	75566	1392.5	5608.6	7208.6	4177.5	4891.2	4191.5
Hexanoyl Glycine	3336800	212650	595640	12505	26941	15367	263930	34076	14317	24887	47111	272420	106690	35848	53278	32922	33280	435450	390590	601550	2339000	22493	219230	23744	22132	265280	728190
L-Asparagine Anhydrous	8664400	7094500	6010500	166880	343110	167750	220670	319040	230770	8692800	8339400	6971200	136670	176450	322290	101130	123420	231090	7123400	7118600	5733500	216520	117980	93109	149840	178760	185150
L-Carnosine	263300	199500	189530	9	9	9	9	9	9	489920	413330	188160	9	24667	201380	9	41430	187250	128260	560020	258030	9	9	9	9	9	9
L-Cysteine	9612.1	4520.4	9	108880	244980	126730	202630	603620	196110	18092	9625	10194	120280	110630	107890	275020	180870	174700	5107.8	9	6794	89501	98480	132820	136610	119050	78922
L-Glutamine	7697600	7910700	6885800	1655900	2587500	1509300	1354500	2195000	1355900	8455100	12977000	10564000	2060600	2957900	2001800	1777400	2406900	1802200	8634000	6123800	6416000	1370500	1370300	1242500	1140000	723430	1088500
N-Acetyl-L-Leucine	1702800	1101100	798150	366170	464750	124860	467650	535970	159030	3090000	4015900	886550	56250	55412	363100	46352	72959	489950	1608800	2232300	839730	311060	170390	340950	328130	381100	832020
N-Isovaleroylglycine	4004400	1916900	3216900	31006	27918	27873	217450	40757	38262	321890	494360	1087200	14713	16979	24634	16462	24089	739120	1743700	3566000	2148800	28401	68195	18616	33413	156580	554980
N-Phenylacetylglycine	13614	2876.9	1932.5	10270	11140	11925	8553.5	10367	11256	2429.1	4162.8	3147.3	11648	11730	9654.3	11400	11549	8477.3	3692.3	1303.6	3196.5	9156.3	11232	11639	8945.7	8542.5	11335
N-Propionylglycine	1948100	1806700	1834900	277220	414070	346310	338660	371130	360890	2736200	2879200	1993700	308430	239110	302390	355040	188020	313190	2125900	1481900	1298700	670670	532080	507490	612520	568920	558940
O-Phospho-L-Serine	736170	574260	472750	9	9	34818	20220	4527.6	25775	2287700	1085800	788130	3581.7	3384	3700.9	23391	10106	110400	313030	668300	488620	7561.1	10108	4096.9	7798.1	28505	77364
Phenylacetyl-L-Glutamine	118800000	68897000	109690000	75242000	77450000	132060000	69925000	102560000	139780000	10937000	43685000	51792000	9986000	29642000	62018000	12113000	40460000	87528000	71843000	55976000	60213000	85263000	86831000	67678000	85148000	128250000	103150000
S-(5-Adenosy)-L-Homocysteine	746320	1649900	4320600	25111	21820	20072	25587	35798	13274	1649900	3472600	2881900	21119	16749	36686	25414	16705	50525	2649600	3031900	2928100	23043	15867	12290	17970	16633	46791
S-Sulfo-L-Cysteine	1164000	2264500	2576200	210190	204030	191910	187090	237810	178000	892630	756260	1720000	193000	198120	220680	199030	145770	156990	1782000	9577200	2602000	220830	196970	311440	212030	256400	128750
Terephthalic Acid	2991200	292450	190100	65767	415840	67498	73129	65670	27139	337410	230520	214130	60683	70670	58112	32027	90466	78317	158270	155010	229120	66323	50855	77409	31283	32982	82599
2,5-Dihydroxy Benzoic Acid	9	9	9	71201	104630	73396	56773	113470	67486	9	9	9	9	30650	67207	16940	22416	68275	9	9	23619	59928	9	91481	41991	9440.5	115150
2-Methoxybenzoic Acid	4122.3	2944	4882.6	29404	59724	29719	6250.1	57974	37634	2664.6	2695.6	2756.6	18025	8203.6	9131.7	43419	24849	11050	3395.7	7203.4	4414.4	20172	40530	31407	53717	87320	69024
3-Hydroxyanthranilic Acid	6513.7	6607.4	9651.9	6304.2	12444	14104	6382.7	18429	17285	2328.6	4161.9	8587	2633.5	4277.2	16398	2494.2	10579	33497	7833.7	7054.7	13097	4886.2	7269.1	24363	4817.3	19753	40107
4-Pyridoxic Acid	8192600	9166000	7223200	108350	128810	102650	93084	131660	116590	6381900	7388100	5519500	19624	17605	159470	29639	27394	334100	5567600	4771900	3586800	91476	98318	100710	46807	237250	401180
Taurocholic Acid	217750	67378	301010	122390	15472	59127	199210	9	137680	128650	98838	62816	46409	38646	9	105980	192050	28495	168930	475710	1614200	9	29237	438810	11981	802120	1366600
Hododeoxycholic acid	9	9	45884	151870	42395	394990	9	9	402360	49636	107260	30959	124790	1846600	230020	137960	2855900	957060	9	13202	9	46670	203990	94576	201290	232650	60684
Glycoursodeoxycholic Acid	314190	293790	2765900	92153	41602	590580	125370	119530	1329800	2400000	16179000	9346700	302280	6460200	405020	1102300	29441000	4571200	1478800	764420	203330	50241	25421	16098	324260	1417400	109610
Glycochenodeoxycholic Acid	20330000	53963000	55811000	14696000	15339000	16873000	10497000	40456000	33986000	86667000	109710000	124810000	11735000	95246000	9016700	58057000	179900000	95663000	47372000	13803000	2599300	2184400	180730	599470	11252000	27417000	1763200
Chenodeoxycholic Acid	9	9	9	9	9	9	3119.5	9	3593.4	9	9	9	9	13256	2984.1	9	27111	17482	9	9	9	4438	9	9	22687	12796	6326.6
4-Methylcatechol	9	8342.9	9	29040	163840	27485	40064	300460	37924	9	9	6806.7	3388.4	18380	57624	5097.6	31446	159810	9	9	6603.9	21263	8304.8	73373	34252	16976	160640
Dulcitol	346750	403930	623930	38419	46482	42844	45593	55467	60121	202490	429640	300900	37037	46211	58715	69578	72480	51862	788170	184470	179740	53889	52136	71274	57710	110820	133660
Enterodiol	9	9	9	9	9	9	5078.6	4641.3	1156.2	9	9	9	9	9	9	9	2780.9	14703	9	9	2637.7	9	9	3528.8	3775.4	1475.8	58472
Biotin	47780	51569	35386	85386	9	9	178100	109720	140900	65896	59726	27128	9	9	9	171810	181690	16914	50693	44185	51715	9	33742	9	173250	157240	30452
Xanthine	107160000	134600000	151100000	1065400	498310	4331000	1409400	877750	3108800	145320000	164420000	144820000	1043500	732570	507580	3528200	589460	1787000	137070000	131350000	146970000	2225400	2469300	1377400	1463400	1961400	3224600
5-Methyluridine	24272	39434	27504	28901	40441	30877	30316	40207	22980	23202	21720	19416	26736	29788	30931	28766	21605	22443	61640	73216	48587	25853	31918	23882	20308	26595	23517
Guanosine	2539900	1876900	4884200	2552100	2485000	2899400	3610000	3463800	3436200	523520	756390	4986300	5248100	6787300	5287300	2619900	3079500	3865200	14569000	692750	9113300	4920800	9884400	4410600	4796000	6149900	5895900
Hypoxanthine	248620	468020	2356700	2021400	3015300	703060	2467000	2119100	708390	345440	2132400	2684300	2429600	2463400	2927100	2735600	1605500	3995700	963170	1379600	4849100	2235500	4294100	3054100	1579400	2693900	5906700
L-Thyroxine	3684.3	4401.8	5549.9	29952	24653	19991	22846	21789	17354	2498.3	1653.4	2812.4	24304	21616	21442	20558	21470	17175	4412.2	3305.3	7464.6	6934.6	10817	12717	7321.2	12177	11055
A-Ketoglutaric Acid	211670	54500	9	42403	53045	50402	21917	38644	37333	9	416910	59198	44050	79199	50301	18219	33822	79120	98853	70273	17444	28869	144180	84900	20522	77543	125100
Citramalic Acid	153080	117740	191660	13292	25332	19925	15438	22310	11078	79027	270710	144690	43291	11571	30932	14735	6110.4	74680	132520	59771	49901	11940	23308	15788	7642.8	27112	62460
Tryptamine	658660	646890	490710	180050	234400	203080	115240	178300	136330	579430	713120	572080	169040	146540	185950	157880	107300	199550	579100	237150	254440	121120	201230	175070	117780	171010	178150
D-Arabitol	4190200	3480900	4186400	6265.3	3009.1	8002.6	10296	15780	8813.2	3673700	3396100	3747300	2321.3	3331.7	8813.2	5335.1	8349.5	12762	4303200	4577200	4229900	7483.3	6035.1	3942.6	8667.4	11308	16472
D-Sorbitol	318760	321660	523420	34296	23290	21219	31844	37506	29105	130830	354460	246370	9117	29938	32537	28558	37325	49705	659880	156700	135080	39992	48006	50866	49283	86160	118420
D-Glucose	5556400	5924900	6427500	788170	467880	708090	1064200	856940	603260	3773700	6628700	5544900	377070	869200	814140	1073400	737620	1547800	6906900	4606900	5220700	1278700	1717300	1686400	2043400	1419900	2247900
D-Mannose	951960	900050	1008900	75539	76858	94566	79583	85592	101060	933150	1056800	799520	81500	81804	116580	80520	90827	149570	840500	1246800	1201400	76252	81857	94310	64588	102660	78182
D-Trehalose	418580	771200	607120	522710	433980	420520	413590	516270	535750	450800	580430	542760	414330	437140	514170	445450	455200	399480	505530	375730	255590	419350	482410	377810	490170	486570	487830
D-Erythronolactone	9	9	9	2256200	1898400	1881500	1829400	2059600	2165900	9	9	9	1703000	1856600	2084900	1752000	1890500	2044200	9	9	9	1750000	1924000	1771300	2072100	1921800	2031800
Lactose	418580	771200	607120	522710	433980	420520	413590	516270	535750	450800	580430	542760	414330	437140	514170	445450	455200	399480	505530	375730	255590	419350	482410	377810	490170	486570	487830
Lactulose	418580	771200	607120	522710	433980	420520	413590	516270	535750	450800	580430	542760	414330	437140	514170	445450	455200	399480	505530	375730	255590	419350	482410	377810	490170	486570	487830
L-Fucose	103090	112580	73973	131770	181100	75308	172070	220810	123770	63205	44768	58474	273830	113200	133720	309830	118080	197840	86566	98304	150940	286490	805170	571330	394430	1030100	747870
L-Rhamnose	103090	112580	73973	131770	181100	75308	172070	220810	123770	63205	44768	58474	273830	113200	133720	309830	118080	197840	86566	98304	150940	286490	805170	571330	394430	1030100	747870
Maltose	418580	771200	607120	522710	433980	420520	413590	516270	535750	450800	580430	542760	414330	437140	514170	445450	455200	399480	505530	375730	255590	419350	482410	377810	490170	486570	487830
D-Glucoronic Acid	835100	581040	253240	114260	133680	75396	137220	138590	138150	974080	907240	411480	124940	99396	92655	201390	114240	166200	510940	556610	526500	182880	127030	151620	184700	268290	231000
Vitamin D3	50600	55660	43827	63502	59576	110680	129020	57526	61458	39127	56135	48252	72018	64262	61452	119910	108550	121070	73231	43832	45264	103950	96150	190210	87187	54265	73733
Pantothenate	75632000	64026000	47492000	706550	1279100	784960	845160	1390800	907120	55370000	64482000	54434000	299240	324970	779080	347990	323360	2041300	41741000	43520000	36483000	416920	770940	704840	386810	676000	1246400
Riboflavin	2438700	3670000	2715300	96069	82762	69016	90606	113890	80120	3490900	4821600	2099600	64494	68843	107820	64969	46390	159760	3126900	1851000	1370700	42455	129360	75971	49856	137280	127810
3-Indolepropionic Acid	24841	40738	21695	803530	1871500	817150	550060	1459300	619210	9	5752.9	13540	80167	206900	170580	49589	185300	201560	5496.1	8786.5	102540	127150	516430	1937800	164710	560890	1899700
1-Naphthylacetic Acid	62916	72569	41080	72522	163280	131630	99117	49535	86618	56667	57928	40447	56165	67159	89009	111090	126370	80540	61922	52404	146990	58735	92688	137430	105480	132390	154070
2-Aminoethanesulfinic Acid	311790	1117900	1520900	3715.1	18228	7595.3	2323.6	24652	9053.1	113850	105000	157590	9	9	9	9	9	532.8	942520	1712800	1210300	2789.9	13270	13323	3724.3	5266.1	7694.8
2-Aminoethanesulfonic Acid	146810000	117770000	93974000	11360000	11932000	9632700	13814000	8531800	7121400	39160000	45858000	45555000	9832700	12528000	22037000	5839800	6141800	14441000	150280000	281870000	284220000	11667000	17679000	21263000	7217500	9887500	16755000
2-Hydroxybutanoic Acid	1598000	2132700	1846800	1908000	2209600	1111100	2288500	2138400	965760	868800	1013600	1165300	2848400	1175200	3112800	2716300	990200	3713500	1688000	2674600	3959700	3298200	8782000	5244500	2856300	8197400	6856200
2-Hydroxyisocaproic Acid	10234	16536	9144.2	37349	52868	78105	32403	43379	54398	9	4595.7	8676.9	20839	19367	13593	16932	14438	19821	9882.8	7670.4	16716	29350	30496	63709	19229	23642	73952
2-Methylsuccinic Acid	643470	242610	457020	54942	130590	523460	131860	221340	546640	155150	222210	146830	20113	116970	48421	22225	224490	278660	218030	933950	825790	84781	20906	206280	78332	57294	801030
3-Hydroxy-3-Methyl Butyric Acid	673330	607810	297390	1518600	1487600	1366200	1393700	1385000	1416400	383350	430510	271330	870000	679600	1152800	864970	718600	1067500	332650	557260	464420	2665200	3120200	1929500	2674700	3441700	2135700
3-Hydroxybutyrate	5578300	5654000	3679500	4623700	7293400	3504000	8097800	10490000	5691700	3397700	2276000	2567300	13703000	4680000	3397200	15911000	5723400	9528100	5742200	7224700	8692200	15498000	53165000	33442000	22976000	63648000	43382000
3-Hydroxypropanoic Acid	27707	20485	19717	2234.6	7236.1	4113.5	3017.9	5759.1	6232.6	15729	37952	26487	6183.1	8387.7	15525	1896.5	7870.4	19668	29257	12104	18395	8699.1	5063.3	18981	3112.9	4238.1	21524
3-Methylcrotonyl Glycine	135170	244960	138770	110410	125940	186040	87781	171800	210660	79380	77373	68313	41455	37823	42040	15305	42347	130160	154870	227490	121000	105260	374320	131000	109330	536020	247350
4-Hydroxy-2-Oxoglutaric Acid	9	9	9	80743	112170	67560	62758	107580	64421	9	9	9	44001	50899	34095	45787	62116	45861	9	9	9	95028	158390	127570	96727	178970	118350
Adipic Acid	298440	209760	137590	228090	532120	331990	336150	607580	365060	676670	354790	307220	769190	258800	299450	551440	412110	674030	235480	423550	196450	257840	352210	271340	333860	615210	603870
Azelaic Acid	7610600	6704500	5413800	9119000	15218000	14439000	13340000	16502000	12262000	6109100	7242300	4570500	8366200	10752000	19840000	9259100	10434000	13831000	4720900	3685100	4741600	16426000	13813000	11890000	11427000	11019000	14381000
Caffeic Acid	195620	201450	154690	906140	752540	1087300	881180	1189900	1052700	49339	72310	182140	104840	208340	748950	63776	277320	998920	158660	108380	1227500	1000200	634590	4560200	1003200	994780	6121700
Cinnamic Acid	9	9	9	7250.6	31903	13245	23145	28537	20617	9	5083.2	4246.4	9	6034.2	3530.3	2584.4	9633.9	7484.1	5631.9	9	5901.5	2152.6	10687	19213	27853	35767	60280
Creatine	2321600	1955700	2957800	854160	402040	818450	760440	381870	647290	2291900	1763500	3274000	383670	467530	929820	574330	475250	1209200	2600400	3842600	2249500	596650	662590	680560	700930	782210	775400
Glutaric Acid	643470	242610	457020	54942	130590	523460	131860	221340	546640	155150	222210	146830	20113	116970	48421	22225	224490	278660	218030	933950	825790	84781	20906	206280	78332	57294	801030
Guanidinoethyl Sulfonate	9	9	9	29360	9	9449.4	15247	10540	17140	9	9	9	4110.3	6804.2	10212	6930.2	14312	23741	9	9	9	27391	56139	50003	22299	54428	128190
Hippuric Acid	2296200	2252100	1624100	9215200	7363900	11227000	8332800	11340000	11024000	369290	651670	1881300	873960	2104900	7852300	470460	2551600	9993700	1655100	839060	12330000	10175000	6324700	43249000	10191000	9654000	57442000
Hydrocinnamic Acid	176030	34519	76151	438570	1614100	746630	2896700	5089400	3815300	9	44969	58641	58632	358400	345770	62861	2689600	3354900	65281	30451	189190	105340	398650	1369300	4936700	5102100	9550300
Kinurenine	1953400	1996900	1952000	365600	539180	340500	389720	608960	310880	2670500	1961400	1481200	300310	218230	285370	259270	213340	301310	1461500	3305200	2007000	126200	357150	345700	113320	370800	407030
Kynurenic Acid	68648	50613	102960	45468	49227	194840	82560	144390	530590	51372	74436	108810	50985	69126	102910	50249	284850	384760	41839	59803	44359	105010	156070	95805	263270	1028900	368930
L-Lactic Acid	1418100	1260200	1292400	471220	516120	467400	635290	455100	259740	612090	1364100	1103500	712940	791880	877090	522570	493720	1585100	1502600	831950	816730	528930	897690	746340	389010	573340	1546800
L-Dihydroorotic Acid	148470	85634	136550	32707	46700	38059	49198	53415	47589	134030	124120	120510	45269	40190	55916	43942	57197	77761	145760	119030	117820	75405	42395	39152	76811	49697	84203
L-Homoserine	6775900	5514200	4896800	568120	626870	487980	499940	570320	414790	8649700	8296800	6288800	272310	254250	637350	246950	157800	411090	6355300	4922100	4191300	486270	283420	302860	370140	250230	254950
Malonicacid	5581800	5829400	4019300	4798200	7215100	3593000	8362300	10262000	5923700	3428200	2292200	2538800	13958000	4792500	3519500	16331000	5581500	9644900	5862400	7061800	8908200	15310000	53059000	34063000	23339000	64186000	43582000
Mandelic Acid	57433	67345	85745	72302	160960	140330	71491	210130	205740	23434	39129	74178	26610	56900	135590	41827	107880	308470	56512	46120	129740	57899	98124	233160	66801	205180	464870
Methylmalonic Acid	5782200	7615700	19638000	2490100	4819500	4432000	5669200	9049100	5339000	9366300	166660000	21063000	3734700	4030400	4709000	2159000	6262800	137780000	39195000	183110000	225930000	3731100	5309400	5633000	6434400	12451000	83109000
N'-Formylkynurenine	665620	578500	448780	333180	524230	417030	250160	389190	363840	710580	815960	613070	353810	334240	428450	384280	270220	381920	613250	270640	303440	294860	387750	359840	273040	392400	301970
Phenyllactate(Pla)	6294.9	8331.8	15247	89688	90530	78418	62809	96471	56790	9	1473.5	5128.8	21002	26015	26298	17714	39743	40482	3651.5	2841.8	31724	9979.7	14429	141950	8939.9	14643	412370
Pyrrole-2-Carboxylic Acid	15369	25631	26586	36501	78148	34157	31934	65749	30978	16841	9346.1	18596	29068	37948	36646	38543	35549	37758	13841	8378.5	25108	24779	29192	49485	24346	40537	63892
Subericacid	276970	219670	218460	266120	425440	446990	366480	403510	324300	343310	386510	191990	338800	357340	548150	344650	375890	384250	165920	233140	201530	496830	375620	322940	304190	360870	396130
TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-oic acid]	9	9	9	511680	2763000	353820	2862600	200610	373120	9	9	9	28638	4959700	7503500	27249	358110	174410	9	9	9	3368800	4425200	533200	322610	639060	437010
Lysopg 18:1	39778	42495	77824	54470	66033	50530	26218	42307	29296	55673	135610	109730	74736	47090	34411	45862	31869	21960	128450	70517	51017	129870	58503	67980	113190	52016	61445
Lysope 18:1	20974000	31398000	36268000	15832000	31085000	21115000	13507000	27599000	19193000	26413000	31770000	32018000	22085000	15674000	13068000	18810000	14265000	9085100	74216000	63062000	52545000	76491000	27901000	42429000	63270000	21102000	32988000
Lysope 18:0	154290000	162430000	162120000	44456000	56957000	41888000	43906000	51831000	45093000	145590000	174950000	165230000	36958000	24557000	28785000	39528000	25105000	20950000	169330000	150740000	142850000	142460000	59435000	61535000	123900000	55077000	53052000
Lysope 16:0	135000000	128910000	142560000	53069000	59939000	50361000	45202000	45362000	43927000	120370000	143410000	151950000	34920000	24421000	36872000	29267000	21226000	26367000	112700000	95116000	92409000	105150000	46206000	51054000	87066000	38732000	42699000
Lysope 14:0	619570	636640	869100	105480	115380	162190	89466	94110	129970	370670	678750	358890	80425	65032	47579	56607	54463	25838	305410	129720	390020	162660	37037	122240	109300	30070	102610
Lysopa 18:0	299440	286230	359820	311840	515290	458190	250330	359940	256390	284190	342360	409560	655440	387660	346640	417330	239840	208930	395240	374280	396090	1109600	492810	541650	931000	500950	486920
Lysopa 16:0	368900	412540	456400	461690	858610	653400	445770	646190	494520	375860	469270	554940	741440	506880	548310	532340	401370	445640	501230	431710	389970	987580	742000	723670	838930	587560	664230
9-HpODE	81155	124850	79989	89261	203570	131140	75093	198110	112940	177710	99361	56971	102680	48549	91526	55785	71627	156570	68513	190060	139140	71388	148650	191420	96437	133110	268850
13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid]	17767	8860.4	6561	5638.3	13970	7989.5	7724.1	13768	5848	4375.3	43334	8256.1	10313	12082	9575.5	15098	20941	9555.8	5412.7	6111.8	5106.5	7857.5	8494.6	12246	5902	9752.9	14375
9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic acid]	1778500	1881500	2287200	172230	208780	162840	182220	370060	189400	7035500	4238400	1570300	170830	141690	219080	106390	299680	372120	3394100	9060000	4403800	231140	333670	402520	337950	427870	668080
γ-Linolenic Acid(C18:3N6)	101190	83561	86117	17985	20872	12486	11231	16166	8669.3	239140	159560	98610	48490	22793	28249	16020	10731	16599	110920	159440	170750	31128	109220	115590	20477	81031	89916
Palmitoleic Acid(C16:1)	12731000	8962900	13705000	2117300	659810	935250	957970	697890	635270	37297000	27477000	26762000	6932200	4528900	8472200	2733000	2030400	3042900	11853000	8793700	9672200	1734000	4558800	3776300	1272700	3835700	2917100
Hexadecanoic Acid(C16:0)	7497900	7338700	10373000	4923700	3910300	4120700	2903000	3070200	4047500	10030000	6738800	8828800	5441000	4013300	3291600	5898800	5607100	5637600	8304600	7346300	6595200	3902900	4233000	3850100	3514000	6050500	4231200
Linoleic Acid(C18:2N6C)	19888000	21144000	17915000	6223000	4817500	4410800	4971300	6287300	4324300	27821000	21111000	19985000	10526000	7353000	6948100	7536600	6983300	5339100	19063000	20090000	15023000	7710300	13231000	14146000	7646900	13418000	14203000
Dodecanoic Acid(C12:0)	664990	460090	529720	491060	3053800	462950	455170	460680	409240	1341100	749780	584460	699090	566890	640340	549130	565520	486510	364860	326810	449010	424180	550860	594680	418670	526380	517600
Elaidic Acid(C18:1N9T)	12317	11235	15709	3869.1	2616.7	2678.3	3130.4	2319.9	3278.1	15138	12321	13963	8013.1	5445.8	4923	7153.6	4433.6	5652.4	14647	11896	11167	4780.3	7916	6414	4334.3	11297	7439.8
EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]	8217800	8377800	8156100	302270	407990	280410	456720	229730	189770	4443200	4115100	9206900	318250	591100	1593800	130950	237660	323930	11572000	14462000	10237000	853100	1979700	1209600	368890	1230200	696750
DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]	821960	604010	514400	49865	35422	33302	34575	28039	21578	723070	721790	941590	75769	66482	79358	43840	41479	45629	630140	810290	662410	59007	235320	94377	48603	168910	78615
Cis-11,14-Eicosadienoic Acid(C20:2)	17439	12423	12985	1005.6	9	540.24	594.13	9	9	17574	15826	9835	606.17	674.17	383.62	706.77	9	9	12381	12683	12167	1488.4	5045	2893.2	1007.7	4933	2364.4
Cis-11,14,17-Eicosatrienoic Acid(C20:3)	91186	77457	73320	76771	81490	70671	74692	80410	70894	70780	69216	61435	75947	88008	78889	76418	76316	59288	61338	64275	64550	65965	72873	77791	65576	66492	65887
Capric Acid(C10:0)	11008	4672.7	5867.2	5298.1	4585.9	4031	6763.6	3404.9	5307.7	6429.5	4702.5	2887.5	5276.4	6362.9	7548.8	4422.9	5947.1	5731.3	5119.7	4188.2	5220.2	2548.6	4050.5	4313.7	3907	6481	6812.2
Arachidic Acid(C20:0)	243750	883660	862590	631520	2258500	783440	448010	1691200	596120	5603900	973900	1171900	3199400	3096900	1037200	1938100	2353400	973480	590410	8778800	8197700	1009200	1240200	2535100	959290	1126700	2101400
Α-Linolenic Acid(C18:3N3)	101190	83561	86117	17985	20872	12486	11231	16166	8669.3	239140	159560	98610	48490	22793	28249	16020	10731	16599	110920	159440	170750	31128	109220	115590	20477	81031	89916
3-(3-Hydroxyphenyl)Propionate Acid	9	9	9	29948	30011	29911	149130	171230	91877	9	35676	20025	9	68639	27300	9	785840	401810	9	9	228320	9	9	1418100	117810	25921	5209000
4-Hydroxybenzaldehyde	60856	39928	68125	54329	1088500	70860	81899	33679	36910	66111	60990	59898	62152	73908	50585	73684	52230	67237	66805	66020	53044	73405	68630	34315	49084	51490	44143
Ethylmalonate	643470	242610	457020	54942	130590	523460	131860	221340	546640	155150	222210	146830	20113	116970	48421	22225	224490	278660	218030	933950	825790	84781	20906	206280	78332	57294	801030
2-(Formylamino)Benzoic Acid	156030	32367	64846	548710	341560	635680	701470	425180	738380	9	9	40785	66085	103980	292840	203930	163280	323720	64500	50509	75929	178120	796740	252810	206010	1138000	451470
Ureidoisobutyric Acid	9	9	9	58213	46484	31743	86562	49060	52614	9	9	9	19700	21403	37754	48039	17913	31450	9	9	9	32480	38287	37260	42968	40158	22980
Uridine 5-Monophosphate	1259400	5471200	11311000	25351	16696	21350	20661	31693	15017	2202100	8583300	4518900	26652	28581	27056	31121	36664	31047	9654200	826230	779760	18128	32722	20056	19850	53041	36574
N-Acetylglycine	31825	21994	18543	145590	111980	103790	137610	132770	138330	48081	21331	41549	728600	227090	322740	688980	186300	269440	20599	72735	42492	205280	1335400	229690	204200	1357000	323500
Cyclic Amp	25504	19372	88158	51213	6515.3	2095.7	40791	84855	9	48196	70755	34665	12213	152700	407.43	9	104040	32077	55413	20289	32600	10506	22754	60257	56814	75069	55158
2-(Dimethylamino)Guanosine	152190	122340	85203	36765	21933	34043	35768	26315	24723	90113	138560	102210	22017	24402	35119	32161	25614	43779	173310	211370	125550	21891	34722	25400	19326	41583	44653
5-Hydroxyhexanoic Acid	211520	190080	132070	338080	413960	246320	604350	520020	367710	78941	105530	107240	186570	216330	206990	192750	323380	438840	174540	156210	224650	232150	339530	379650	409650	555370	907000
Β-Pseudouridine	166020	166450	142400	962160	692150	927920	1082300	718690	977370	165480	146380	108920	901170	911780	764480	1179200	1004900	852400	169100	197910	311450	836250	745010	718210	897920	888230	870310
N-Acetylthreonine	244560	234010	224010	107400	105340	110450	109500	108710	121120	329940	323160	227630	91653	76978	115630	122030	106900	113480	214460	202290	174440	86340	91175	102770	102990	105480	130460
Hypoxanthine-9-β-D-Arabinofuranoside	2318300	2160400	10013000	33614000	30723000	35540000	44849000	43323000	46560000	1922300	6388300	11042000	71006000	75604000	55171000	33100000	60777000	32986000	8498900	3841300	12652000	57318000	114370000	49190000	61246000	111490000	68175000
Guanine	193760	132750	231240	17198	20196	21846	13050	20651	20146	49625	20977	160040	17996	20194	19686	11982	8207.4	65035	228850	3299.3	208520	25054	25649	24081	8735.3	24458	68697
D-Sedoheptuiose 7-Phosphate	73879	49830	33740	22008	22077	23408	20542	20652	19721	47176	39109	30745	21633	21224	21074	21876	17818	27336	56142	56044	97264	21932	13712	17225	19735	18877	22173
Aminomalonic Acid	109100	70363	648670	69391	105090	57972	120680	138580	82811	213610	6537500	584310	45112	62763	108850	25230	147550	4860300	1091800	7734400	9486300	54875	63350	76453	118610	268160	2807900
Dl-Glyceraldehyde3-Phosphate	2334500	1056200	9	35861	20988	27993	34456	19636	17586	9	9	9	39560	51165	69252	23938	21446	73772	9	9	9	15971	38681	25054	27722	25281	48455
2,4-Dihydroxy Benzoic Acid	9	9	9	71201	104630	73396	56773	113470	67486	9	9	9	9	30650	67207	16940	22416	68275	9	9	23619	59928	9	91481	41991	9440.5	115150
Fumaric Acid	42091	47848	47276	54232	155270	54209	72617	47333	44777	53157	42766	26934	43852	52993	57125	49321	76877	76120	41923	28384	47440	55786	37793	70909	42680	44122	100740
8,15-Dihete	1642500	1018900	1487800	321640	102740	156370	134260	87452	65570	3483800	2341800	2608400	956160	623800	1069900	262360	210990	308050	1423300	1063900	1195000	239730	590550	406380	145150	399330	323490
N-Acetylmethionine	181490	235140	150540	19495	21862	10255	21260	27823	14118	147560	246410	272920	16767	16974	53438	5586.8	19020	50486	257270	99896	103830	17801	15107	20527	15466	17901	34220
Argininosuccinic acid	4861100	5025500	12317000	25356	19005	20081	16180	19400	19664	4247700	4271200	9202200	16162	17837	21002	12264	22716	13413	10613000	25812000	51195000	24122	15651	18818	15086	21745	16894
2-Deoxyribose 1-Phosphate	9	117300	32095	243670	186520	258170	186750	187700	303600	91766	73562	57488	250880	192780	200370	309970	255560	148720	92697	60436	77823	187830	178110	168910	202330	189020	157820
N-Acetylglucosamine 1-Phosphate	2418600	2185600	3252500	18303	9561.1	19221	28943	12056	14733	1551100	1572400	2729400	15874	14785	19389	31763	20520	31628	2770300	2812800	1930500	39792	18397	17440	27321	38374	28910
Pimelic acid	324540	364030	251720	343020	620310	495760	556640	795910	659860	387190	404220	298170	308080	291230	449400	636690	556880	861180	204430	203530	254370	287570	317680	283610	274990	503610	831740
Xanthosine	88393000	115960000	87940000	84935	52209	64483	66848	48044	76153	59859000	145330000	73810000	45277	84183	116190	42100	76226	252660	163210000	130710000	115140000	27491	131020	69407	33816	107080	366350
estrone 3-sulfate	9	9	9	12667	40235	7111.7	20120	66482	15479	9	9	9	9	3209.2	17087	3666	17278	106710	9	9	5010.7	6271.3	1885	3961.2	18031	6827.6	37828
DL-3,4-Dihydroxyphenyl glycol	71208	60331	46393	84889	132140	127650	116230	154630	101620	52922	63689	42677	69600	92047	177310	78834	91085	130760	47432	32709	41869	147290	122590	107810	98395	108340	130670
6-Ketoprostaglandin E1	9	9	9	2851	17354	11294	4007.3	33206	13247	9	9	9	9	9	5224.9	9	5843.7	12053	9	9	9	3910.9	12819	6826.2	11987	30527	13229
Indoleacrylic acid	371670	838270	475820	200620	403140	556910	123300	319360	436860	9	9	40200	14143	6799	35606	9	9	27914	389290	136130	128200	290820	159990	195340	224310	107450	179980
2-(4-Hydroxyphenyl)ethanol	427310	173020	199680	179540	348130	222360	234440	501800	332020	197460	221450	195650	189070	186620	229260	138860	231530	492700	188530	196720	222860	180370	191820	208390	242270	242390	584420
Indole-3-carbinol	9	9	9	20155	35849	39577	25287	42078	50048	9	9	9	15681	12645	18420	18474	18029	18324	9	9	9	8699.4	15050	29299	6207.1	27882	46467
DL-Benzylsuccinic acid	35470	52595	34037	38162	149640	147190	233070	185120	99854	34384	34500	20359	36123	58636	38039	226140	184050	190790	56787	28629	45861	52200	87391	134690	167390	101980	258020
2-Methylguanosine	709300	487630	332410	61027	45635	57933	59150	47381	66553	300840	606620	352670	46209	57461	55711	36390	55623	64770	550120	747660	453970	43593	55965	52505	42060	87644	72829
N-lactoyl-phenylalanine	6863800	3944200	2104500	109450	690600	120930	168820	774640	106330	1714800	4639400	3007400	86611	119860	306970	85101	108120	694130	4877900	891360	1051500	81423	181350	192220	66322	252520	739750
Imidazoleacetic acid	9	9	9	26558	287890	82826	19261	289660	90354	9	9	9	100970	67341	34113	71905	64407	16856	9	9	9	5270.2	111820	78579	12062	113980	86167
N-Acetylvaline	9	9	13936	13088	14300	60434	11209	23893	90163	9	10934	15067	12476	34171	34299	5112.1	64101	64541	9	9	29590	13904	15656	69484	19837	35096	161300
Glycerol 3-phosphate	102430000	57066000	201830000	209460	103880	148280	132550	111340	91802	162280000	214800000	166770000	224510	147210	60762	317340	97473	377080	198260000	262080000	282220000	80914	428800	298710	72610	391660	1161500
D-Malic acid	58577000	47507000	34776000	10790	11872	3281.8	12646	13552	7185.7	29374000	31493000	44900000	10379	12519	3741.7	31279	21177	24947	54526000	17560000	23153000	18044	11637	15243	23760	24221	14437
deoxyguanosine 5'-monophosphate(dGMP)	706350	995080	1509100	9	9	9	13947	9	22049	1186000	951530	1364900	9	9	17076	13230	646040	9	1792100	2175000	3070100	9	9	9	9	456980	32510
Tetradecanedioic acid	613020	625220	668160	171000	240810	258790	219250	209810	161750	5469600	2405600	4100900	1998500	401090	263250	467040	340560	315420	478370	2985100	1544600	172680	387780	228490	226730	315320	308750
5-Methoxytryptophol	1193900	1232100	1156000	241640	341370	213530	239670	371490	188980	1654600	1206100	901150	192650	130950	169250	152180	135040	193690	868600	1999900	1214800	88070	225140	237960	81876	230630	224950
Uridine triphosphate(UTP)	9	10459	757.18	4658.1	7256.8	13460	4863.8	8850.8	14248	1208.2	1538.7	1454.7	2566.4	6299.5	6104.9	6759.7	8916.4	4433.5	1288.9	2107.9	11188	12103	6626.4	15332	11724	11590	28925
6β-hydroxytestosterone	96989	101810	100640	89431	84624	77656	85319	88722	84754	100830	93770	90666	79335	86946	79291	89384	95991	85794	81760	89731	89375	72012	73979	77976	83634	83125	86371
O-Acetyl-L-serine	237370	188360	162490	39670	49923	28904	26935	44145	14071	113380	232610	169080	47748	75644	60284	63922	77364	46883	238320	145170	110470	17066	31272	28892	20246	18422	44845
Salicyluric acid	40711	60728	46228	42515	130180	62647	30119	117730	57003	24729	27126	103490	12555	28116	100970	7933.3	25407	137090	28820	22613	65960	34338	23480	99580	22337	30671	169510
Ellagic acid	240760	125960	213810	129720	142850	264840	121550	184560	255220	22375	75810	86288	15665	46401	98630	17665	63416	126630	129350	93903	86255	151550	146130	92632	129850	226150	139400
Succinic anhydride	9	9	9	2368500	1774700	2472200	1688000	1518700	2507900	9	9	9	706270	765140	2037400	736130	813170	1814400	9	9	9	1825400	1147400	1370500	2049100	1184800	1200500
Hydantoin-5-propionic acid	9	9	9	18689	19282	15812	11339	10180	14217	9	9	9	6796	11813	10113	9631.6	14700	9045.3	9	9	9	11921	19218	10204	14782	18670	17143
Indoleacetaldehyde	5163500	5116200	4032200	1420700	1900000	1600400	1009100	1317600	1091800	4872900	5763700	4353000	1331000	1191200	1553500	1282900	915630	1585300	4511400	1823100	2083300	948250	1575500	1271900	854810	1377000	1409700
Hexadecanedioic acid	1594000	3672500	3194300	322250	584930	370770	259270	484670	312220	11225000	3531500	3710500	4107900	1270800	455570	1527000	1198200	611150	1853000	25225000	20446000	399270	1799800	618400	569260	1470000	873650
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid	7167.6	10472	7536.3	13488	39950	22237	13464	16243	15172	8877	7311.8	6721.2	17967	28414	10800	18548	31257	12282	7812.6	6627.7	7435.1	7818	10419	16155	9732.8	12020	13200
Gamma-Glu-Leu	1421000	2120400	1806600	187300	354520	227310	166300	327920	216250	2871100	3552300	5304700	186900	206880	322910	192000	193000	310060	3123200	2188300	2278500	521770	592380	715150	422060	497250	631630
Isopropyl myristate	88253	94742	93015	110680	163520	495270	148830	174830	477240	94441	91090	82801	129680	120910	118790	127470	144470	145800	95507	92698	103640	105600	160590	440630	162690	185270	453820
succinylsulfathiazole	167340	144000	200340	8309.5	9	9	13651	10379	7415.9	94080	208110	34783	9	9	9	19328	13297	2535.1	211600	89951	61978	9	3846.1	9	8596.9	16697	2063.5
Octadecanamide	37720	21285	38730	56573	51360	110030	75592	21631	45740	41909	37433	59424	42806	47022	42808	82613	90671	87598	40363	41091	21548	46262	65813	71111	73539	36260	36246
Undecanedioic acid	9	219130	9	612530	10955000	119040	473130	8384500	120400	9	9	127340	36714	34370	1013600	78949	39310	1275500	9	9	233950	95046	9	3611800	62983	9	6143900
Oxaloacetic acid	168220	148460	142000	12665	9801.4	18756	20825	22158	16986	168860	175590	159410	15617	9337.4	14313	14901	18077	18970	150470	135900	137730	29155	24866	19982	26414	17546	32003
N-(2-Methylbenzoyl)glycine	13614	2876.9	1932.5	10270	11140	11925	8553.5	10367	11256	2429.1	4162.8	3147.3	11648	11730	9654.3	11400	11549	8477.3	3692.3	1303.6	3196.5	9156.3	11232	11639	8945.7	8542.5	11335
2,4-Hexadienoic acid	2744500	2889500	3856500	149460	113030	188150	130460	169670	201020	2483800	2875300	2672900	101480	122880	142400	144780	132550	132140	2322400	2814100	2801100	155550	140240	178090	175560	127040	125180
Ricinoleic acid	309300	307530	305670	290120	313540	309940	269870	299340	277520	333030	286160	274630	323070	296210	321310	273730	297050	294050	259530	302010	292490	285820	313630	370300	311950	304220	339660
4-Hydroxybenzyl alcohol	25130	48368	114210	130100	185900	189420	139940	177030	236370	9838	6850.6	8888.2	107140	129040	127270	107380	150650	256480	19098	157750	215230	59030	112500	94262	58050	120340	218790
Methanesulfonic acid	3059000	2301300	2525800	31211	31016	9	17958	22920	24346	2532400	2277100	2910700	9	9	20289	24524	11081	24431	2982400	3098300	3266300	29772	44334	37496	34371	65272	45176
Propylparaben	13019	11961	8641	115380	39264	31835	84056	55796	38957	7935.6	9535.6	8796.6	22845	27946	57180	26418	31389	53125	12448	10948	10818	39120	45157	50671	52968	40856	69419
Methylparaben	8614.4	6269.2	7486.5	103730	48257	36012	67618	66930	51463	6622.9	8866.9	7904.4	51826	36789	55831	27875	34143	61779	6562.3	9349.5	9714.5	37357	47507	55221	51841	50662	69278
(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid]	4611.2	3184.7	981.32	1339.8	38909	10106	6895.6	5677.7	11027	1146.7	5032.5	6159.1	2344.1	31049	444800	2488.4	4649.6	8781.3	4541.6	2188.9	1262.8	206850	14634	9090.6	19796	2862.9	7084.2
(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid]	92350	32866	9203.8	24347	2134700	768760	334110	292270	731920	18668	168930	74945	20163	1476400	8261300	38043	84150	166640	18083	8888.6	11080	8028100	669110	226810	810470	87231	246630
(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid]	4611.2	3184.7	981.32	1339.8	38909	10106	6895.6	5677.7	11027	1146.7	5032.5	6159.1	2344.1	31049	444800	2488.4	4649.6	8781.3	4541.6	2188.9	1262.8	206850	14634	9090.6	19796	2862.9	7084.2
(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid]	13377	10333	10755	4986.2	8255.5	16572	2854	8129.8	13220	3714.2	3148.2	3711.6	42101	18600	6808.8	26192	11230	5040.8	9747.3	26077	11685	9865.5	11240	9111.3	6328	11479	9561.2
(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid]	4611.2	3184.7	981.32	1339.8	38909	10106	6895.6	5677.7	11027	1146.7	5032.5	6159.1	2344.1	31049	444800	2488.4	4649.6	8781.3	4541.6	2188.9	1262.8	206850	14634	9090.6	19796	2862.9	7084.2
(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid]	13377	10333	10755	4986.2	8255.5	16572	2854	8129.8	13220	3714.2	3148.2	3711.6	42101	18600	6808.8	26192	11230	5040.8	9747.3	26077	11685	9865.5	11240	9111.3	6328	11479	9561.2
(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid]	13911	19942	17429	2028.7	4968.9	4185.4	1789.7	4030	2457.1	2556.8	1643.2	3884.1	9	9	9	9	9	9	9754.5	7327.4	17963	7873.7	4611.4	11935	3363.2	5355.2	7816.9
(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid]	19946	22463	18115	2713.3	4142.5	1830.5	3432.7	2509.1	2499.6	17817	29752	9555.3	1143.5	2901.2	5328.2	1159.7	2368.2	997.72	17593	14034	14597	6320.6	7710.4	8255.7	3236.6	4511.9	4154.8
(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid]	19946	22463	18115	2713.3	4142.5	1830.5	3432.7	2509.1	2499.6	17817	29752	9555.3	1143.5	2901.2	5328.2	1159.7	2368.2	997.72	17593	14034	14597	6320.6	7710.4	8255.7	3236.6	4511.9	4154.8
11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrienoic acid]	34600	34047	22467	31679	149920	28643	175080	12250	20544	32499	47258	24864	4256.4	283760	429870	2612.3	20646	10405	46031	67199	25899	209440	232060	28679	20540	23128	22760
12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]	4514.8	6335.1	6726.6	44464	245450	34930	26809	178270	27055	5735.4	5512.9	5057.7	42168	27550	105890	18687	64846	61644	3071.7	9377.1	7308.4	39564	33592	107050	30189	36333	64215
13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]	39647	29606	21720	19547	35034	23655	16570	28653	21347	50858	110770	30224	19572	15905	21930	18233	31506	17493	26599	17255	35723	20370	18633	30195	19112	13190	18608
14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid]	18407	6447.8	1593.7	9	8712.7	2957.3	3036.7	2995.4	3439.6	5904.5	30299	30174	1203	9131	150270	8680.8	4375.4	3469.5	3144	4217.8	4345.8	65209	15249	6067.8	13276	2731.1	5141
9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]	4514.8	6335.1	6726.6	44464	245450	34930	26809	178270	27055	5735.4	5512.9	5057.7	42168	27550	105890	18687	64846	61644	3071.7	9377.1	7308.4	39564	33592	107050	30189	36333	64215
9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]	8899.6	9470.9	5894.6	6240.9	15355	6386.2	6918.6	12671	4693.1	11691	14624	6622.7	7041.1	7582.7	10127	6765.2	11552	8392.1	11948	7673.4	11227	9071.9	5887.4	11625	5206.9	5245.3	8765
Prostaglandin E2	34009	47174	72107	153660	397810	227560	166060	289770	246680	9	9912.8	25356	4457.2	39879	53895	4255.5	42580	70807	9	9	9	18904	22823	33957	9	9	47847
PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien-1-oic acid]	9	3416.4	3952.1	6981	62759	9388.9	37388	3846.8	10507	6325.1	4974.6	5180.3	9	57466	104850	9	14954	3298.6	7977.1	6887.9	5979.2	70330	54962	9791.2	6226.9	8625.3	15140
TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic acid]	9	9	9	1887.1	10091	1387.2	10436	2483.2	1598.9	9	9	9	9	36121	78094	9	2849.6	2173	9	9	9	15912	21825	2202.4	2160.2	3172.9	1266
Myoinositol	951960	900050	1008900	75539	76858	94566	79583	85592	101060	933150	1056800	799520	81500	81804	116580	80520	90827	149570	840500	1246800	1201400	76252	81857	94310	64588	102660	78182
4-Hydroxyhippurate	58806	88457	55247	69068	191100	83715	40736	165900	76513	26289	37117	153420	12957	27972	150310	9387.2	32225	192910	40272	25482	90035	45113	31205	151250	31754	46752	237780
N-acetyl-beta-alanine	8631300	7977100	8827700	894670	820490	775100	908190	975830	832600	6148300	5270700	7907500	663320	704230	1062400	750930	777480	930940	9218900	3087800	3607100	713990	795760	847230	794090	935100	884210
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid	192620	68967	125790	732680	176870	523430	639650	263440	545170	16941	353220	150640	39617	535370	339650	39370	730400	460460	99697	9115.3	5794900	316220	59158	13664000	277380	90412	24127000
N-acetylornithine	147620	128570	105080	3183000	3394600	2849600	2415800	3023300	3425000	11512	39715	77406	2074700	2709300	4264100	1649300	2128800	3031300	221660	160540	299330	3865900	2522200	1803700	3427400	2153700	2117200
N-Alpha-Acetyl-L-Asparagine	186700	9	9	165210	194620	9	215510	211380	9	9	9	9	9	9	80200	9	9	79302	9	9	9	67719	9	9	49062	9	9
3-Ureidopropionate	9	9	9	51547	30906	39037	102670	29541	48464	9	9	9	16320	21996	42073	25042	16772	234130	9	9	9	28295	31604	25001	46814	35879	65120
N-Amidino-L-Aspartate	127300	214960	223680	146880	239190	196940	172250	173250	200580	137630	80727	116290	144990	172780	219450	94051	120340	155070	550110	423800	816580	286520	130750	108820	141430	137140	120140
Cortisol 21-Acetate	30875	25055	27415	32496	23234	27912	43642	28601	29362	26503	22679	28413	39813	29475	33099	42923	25690	24223	30268	33501	27055	24645	28448	29489	25777	30738	30400
Dethiobiotin	15274	23219	19143	28915	9	9	20975	25391	31272	15912	23636	23059	9	9	9	25817	24245	31732	11516	19486	30795	9	5204.8	9	22613	24147	33175
Mono-Methyl Glutarate	224450	223980	240800	355890	420810	341980	449100	399870	405690	254160	204050	229320	374570	325600	368710	411780	482090	358130	265050	286230	246080	331870	408790	392160	440960	347580	367750
2',4'-Dihydroxyacetophenone	8614.4	6269.2	7486.5	103730	48257	36012	67618	66930	51463	6622.9	8866.9	7904.4	51826	36789	55831	27875	34143	61779	6562.3	9349.5	9714.5	37357	47507	55221	51841	50662	69278
Inosine	2318300	2160400	10013000	33614000	30723000	35540000	44849000	43323000	46560000	1922300	6388300	11042000	71006000	75604000	55171000	33100000	60777000	32986000	8498900	3841300	12652000	57318000	114370000	49190000	61246000	111490000	68175000
Phosphoenolpyruvate	10977000	12294000	10099000	1345500	1476700	1494500	1310400	1448100	1455100	6700000	6585500	4230100	1299400	1195800	1390400	1299700	1259900	1325300	6290000	11242000	4662800	1303000	1334400	1227500	1256600	1334500	1352600
Uric acid	15792000	10160000	10917000	23368	17071	68803	22491	20839	61796	8147900	10700000	3415200	19130	15943	10748	58974	17005	73710	5725000	10918000	4516800	37135	29216	26137	24484	31116	67477
3-(4-Hydroxyphenyl)-Propionic Acid	9	9	9	29948	30011	29911	149130	171230	91877	9	35676	20025	9	68639	27300	9	785840	401810	9	9	228320	9	9	1418100	117810	25921	5209000
5,6-Dimethylbenzimidazole	3293700	2779400	2391800	2156600	3047700	2676200	1932400	2455500	2357600	3479900	3725300	2909900	2340400	2140500	2573300	2323100	1850900	2324400	2906900	1515700	1691200	2034000	2425200	2231700	1643900	2544700	1855700
Glycyl-phenylacrylic acid	168470	188710	381970	62803	39764	69904	59042	40921	53703	313650	460100	367150	74067	141170	89036	54428	105960	34673	428750	172480	102920	98567	57688	63180	53715	55242	50644
13(R)-HODE	209950	193900	137920	254430	454190	291270	227960	376600	221400	417020	858140	187830	279400	282250	503330	274410	298300	252910	248160	195430	193610	408290	435930	434110	244030	311330	377030
9(S)-HpOTrE	9	9	9	9	9	9	9	9	9	9	9	9	400520	266070	14377	342480	223820	10536	9	9	9	9	9	9	9	9	9
Pyrocatechol	22079	41191	11618	169490	294670	131500	148920	362730	135150	9	9	21913	7221	52194	96901	12049	70537	126690	16054	9	121460	118670	22240	422760	144160	31176	565180
Taurodeoxycholic acid	883100	174610	1112700	214160	9	75293	524700	31440	419380	500240	845270	514130	38279	73554	9	126950	936050	98209	743160	2853300	938520	9	9	9	33159	3756900	318790
Glycine deoxycholic acid	786870	1283300	3431400	177620	57778	471010	274220	754300	1834400	5460100	8794100	30250000	166730	2924300	797490	1637900	19326000	16690000	11403000	3069600	688980	464280	12339	22171	2680900	6185700	282740
Homo-Gamma-Linolenic Acid	13349000	9694100	7580900	176570	133290	149900	202540	174410	102450	6271800	7216700	5811000	278080	284930	349590	147590	201490	147450	10888000	8336200	4777600	570080	1132200	766890	337740	1323100	494880
9,12-octadecadienoic acid	651240	358410	512430	49926	36258	31814	28050	26638	17118	463620	502330	231790	38082	21740	45794	16685	8899.3	20847	485780	716760	490600	61952	224260	221320	37839	138450	122580
Alpha-Mercholic Acid	9	9	9	86328	27242	33289	81901	22461	23560	9	9	9	100370	730370	228050	69117	930870	316110	9	9	9	9	28652	28437	9	22590	100910
Cis-9,10-epoxystearic acid	784880	884560	1235100	73451	69324	142340	42415	96354	150310	356590	456870	301660	77404	38881	67521	44835	107790	62957	139820	128500	381810	42916	132210	217580	75386	106270	366090
(4E,7E,10Z,13E,16E,19E) -docosa-4,7,10,13,16,19-hexanoic acid	821960	604010	514400	49865	35422	33302	34575	28039	21578	723070	721790	941590	75769	66482	79358	43840	41479	45629	630140	810290	662410	59007	235320	94377	48603	168910	78615
12,13-DiHOME	1778500	1881500	2287200	172230	208780	162840	182220	370060	189400	7035500	4238400	1570300	170830	141690	219080	106390	299680	372120	3394100	9060000	4403800	231140	333670	402520	337950	427870	668080
Dioxindole	97459	27783	37906	293050	102650	161780	289970	88104	171740	32565	45372	42602	119900	144710	109650	127570	121650	115860	102790	66196	79768	336260	283710	206950	314770	287050	181280
7-ketolithocholic acid	9	9	174960	73162	117780	290180	474090	278240	4379500	109010	775380	969330	121350	2830100	1119400	129390	33913000	13437000	685340	147550	88072	242150	305130	93702	19054000	7229400	1252100
1,6-anhydro-β-D-glucose	1107500	1355600	1358800	98887	75371	84954	128290	95490	89401	745340	1339800	1183300	137900	102110	96510	170340	124870	223140	1314500	843300	1025000	385770	245710	401720	366760	348950	362560
16-Hydroxyhexadecanoic acid	191970	259290	295070	94611	133600	144960	95582	111840	90904	114240	113230	106860	94781	97696	96806	87027	92688	93696	96696	98588	129300	100940	99310	113510	104340	101310	112570
12-ketolithocholic acid	9	9	174960	73162	117780	290180	474090	278240	4379500	109010	775380	969330	121350	2830100	1119400	129390	33913000	13437000	685340	147550	88072	242150	305130	93702	19054000	7229400	1252100
23-deoxydeoxycholic acid	987.93	9	5954.3	3138.1	982.59	9178.2	3805.6	1969.2	13247	2783.5	15927	8338.4	8398.8	48267	6733.4	13994	167980	31033	15391	3984.9	2429.1	7430.6	10890	5188	30441	27929	9921.1
Gamma-Mercholic Acid	7562300	20443000	8026000	83138000	59886000	79332000	82214000	80340000	89920000	10263000	26648000	4336600	7827800	40049000	521620	8161400	57750000	2592900	6615700	5303000	7764900	8891700	964680	65304000	7499600	1423900	83492000
2-tridecane	12146	13293	15613	14800	13459	16593	13869	12756	14173	15232	11759	12152	16360	15372	13213	14296	14886	15114	14668	10884	10842	11756	14752	14128	14535	14171	13169
2-Hydroxy-3,5-dinitrobenzoic acid	76997	75051	112810	83277	88954	80283	72506	90520	78303	127930	87393	109890	81899	91157	65632	83394	69872	64659	93878	128580	93161	74042	77194	68915	74844	91436	74439
Orthocholic acid	47673	9	160950	50744	100560	269560	467560	262550	4020200	113880	679440	875410	96162	2638800	1025200	98857	31038000	12187000	640650	138780	70426	210360	265440	79028	17343000	6709700	1147600
2-hydroxyhexadecanoic acid	485100	475570	281820	908580	1395800	759580	775760	1391100	757410	526600	458730	407130	1279300	1363300	654520	830100	1344700	634280	368410	371620	320010	437060	2536200	2387100	626700	2929900	2895900
8,11-icosadienoic acid	389540	300050	256890	42178	48713	31146	88702	23471	24986	272790	241810	264960	16828	75754	106910	5912.3	39136	17213	322320	314370	222430	96953	130580	105150	44023	57738	73804
3-hydroxyhexadecanoic acid	9	8268	10207	14176	24411	24548	24895	20576	21401	12086	12781	14430	29791	20533	24357	20226	23065	32739	15731	15896	13248	31200	26482	25660	23532	26082	20539
4-hydroxybenzoic acid	506100	202080	216820	230810	352800	239450	261080	572900	320040	220170	206260	222080	205450	251420	219760	161600	241180	534430	215280	223810	248420	178570	186810	216710	237030	254450	605270
PysoPE 22:4(2n isomer1)	623320	457710	372240	661600	407770	499030	535640	416580	514230	361360	320900	377720	336420	168960	146460	311490	155960	111720	804980	456590	508230	1497500	299490	425750	1268400	167860	366550
PysoPE 22:4	623320	457710	372240	661600	407770	499030	535640	416580	514230	361360	320900	377720	336420	168960	146460	311490	155960	111720	804980	456590	508230	1497500	299490	425750	1268400	167860	366550
PysoPE 22:5(2n isomer3)	896040	883580	508700	769050	592150	611000	621060	580690	579440	438970	452960	342150	319260	197340	177940	294440	196700	132100	676450	545810	674240	1246900	335530	595970	1090100	311630	511100
PysoPE 22:5(2n isomer2)	896040	883580	508700	769050	592150	611000	621060	580690	579440	438970	452960	342150	319260	197340	177940	294440	196700	132100	676450	545810	674240	1246900	335530	595970	1090100	311630	511100
PysoPE 22:5(2n isomer1)	896040	883580	508700	769050	592150	611000	621060	580690	579440	438970	452960	342150	319260	197340	177940	294440	196700	132100	676450	545810	674240	1246900	335530	595970	1090100	311630	511100
PysoPE 22:6(2n isomer1)	8659500	6735900	3338300	7763100	4042000	3660600	5904700	3666500	3372500	4786300	7197400	9447800	3505900	3190300	5836000	3102300	3115000	4418300	8641200	14148000	11395000	13014000	10085000	8257300	11503000	8977000	8028800
PysoPE 22:6	8659500	6735900	3338300	7763100	4042000	3660600	5904700	3666500	3372500	4786300	7197400	9447800	3505900	3190300	5836000	3102300	3115000	4418300	8641200	14148000	11395000	13014000	10085000	8257300	11503000	8977000	8028800
PysoPE 20:2(2n isomer1)	634520	842760	1003000	437840	464460	460760	386530	422910	446100	290590	404850	306260	198470	186750	211780	176160	153480	89671	1897700	1596000	1769300	2450600	875150	1360000	2117700	716020	1078700
PysoPE 20:2	634520	842760	1003000	437840	464460	460760	386530	422910	446100	290590	404850	306260	198470	186750	211780	176160	153480	89671	1897700	1596000	1769300	2450600	875150	1360000	2117700	716020	1078700
PysoPE 20:3(2n isomer1)	4596700	4783600	3815800	5847900	5528200	4386900	4616600	5245000	4255900	2337700	3374900	3167900	2317100	1940000	1829800	2030500	1834600	1310700	6204200	8312700	5302300	14881000	6144800	5203300	12496000	5342400	4063100
PysoPE 20:3	4596700	4783600	3815800	5847900	5528200	4386900	4616600	5245000	4255900	2337700	3374900	3167900	2317100	1940000	1829800	2030500	1834600	1310700	6204200	8312700	5302300	14881000	6144800	5203300	12496000	5342400	4063100
PysoPE 20:4(2n isomer1)	17263000	23142000	19314000	18953000	20633000	14753000	15961000	19523000	14133000	15333000	29401000	29232000	9887200	11685000	13056000	9759000	11670000	10743000	38650000	48352000	49509000	45178000	24558000	23326000	38045000	23662000	21963000
PysoPE 20:5(2n isomer1)	505630	896620	895700	914130	1546800	1134000	708120	1173000	981000	315940	449800	1826100	356180	365000	1054600	294300	317890	844070	882020	2362200	1783600	1720700	1233400	1397800	1356500	1105800	1199100
PysoPE 20:5	505630	896620	895700	914130	1546800	1134000	708120	1173000	981000	315940	449800	1826100	356180	365000	1054600	294300	317890	844070	882020	2362200	1783600	1720700	1233400	1397800	1356500	1105800	1199100
PysoPE 18:0(2n isomer)	154290000	162430000	162120000	44456000	56957000	41888000	43906000	51831000	45093000	145590000	174950000	165230000	36958000	24557000	28785000	39528000	25105000	20950000	169330000	150740000	142850000	142460000	59435000	61535000	123900000	55077000	53052000
PysoPE 18:2	39891000	53548000	48291000	61282000	98690000	77519000	51765000	90447000	70335000	48731000	53505000	63022000	87057000	75242000	62810000	79576000	74200000	52281000	69577000	74457000	82577000	133580000	79151000	114220000	123730000	74541000	106530000
PysoPE 18:3(2n isomer)	543530	753580	498190	319840	677090	353860	235830	551190	304450	639790	946310	469180	454590	411110	227730	389340	365760	163840	313370	459240	235570	327550	231330	205640	266940	183420	159540
PysoPE 18:3	542190	762110	524780	327820	656780	358560	235860	543910	299840	650950	990050	488850	452050	409530	229540	326210	331280	169800	238540	433070	231180	370180	234360	201170	272930	181950	177860
PysoPE 16:0(2n isomer)	135000000	128910000	142560000	53069000	59939000	50361000	45202000	45362000	43927000	120370000	143410000	151950000	34920000	24421000	36872000	29267000	21226000	26367000	112700000	95116000	92409000	105150000	46206000	51054000	87066000	38732000	42699000
PysoPE 16:1	1405000	1747100	3920100	648710	1025100	1261900	518700	912980	1052600	848810	1499200	2853100	510870	374420	464580	417120	320290	372410	1423400	1153900	2341400	1139100	325710	745640	782180	274390	659680
Glycine linoleate	357010	439840	300610	10134	6980.6	5002.3	5255.8	8107.9	4607.5	400590	353830	360050	13052	9112.8	9658.6	7888.2	8388.1	10682	531110	477800	308900	19303	47007	22347	15180	39186	26660
N-oleoyl-L-serine	681160	866530	887820	781700	763060	689580	727130	563660	517890	768740	796630	817430	625010	778580	762960	639000	557050	641170	674620	772890	792130	625040	541190	686410	540320	680560	642560
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
L-Cystine
L-Threonine
L-Arginine
L-Citrulline
L-Isoleucine
L-Pyroglutamic Acid
L-Serine
(5-L-Glutamyl)-L-Amino Acid
4-Hydroxy-L-Glutamic Acid
Allantoin
Asp-phe
D-Alanyl-D-Alanine
Hexanoyl Glycine
L-Asparagine Anhydrous
L-Carnosine
L-Cysteine
L-Glutamine
N-Acetyl-L-Leucine
N-Isovaleroylglycine
N-Phenylacetylglycine
N-Propionylglycine
O-Phospho-L-Serine
Phenylacetyl-L-Glutamine
S-(5-Adenosy)-L-Homocysteine
S-Sulfo-L-Cysteine
Terephthalic Acid
2,5-Dihydroxy Benzoic Acid
2-Methoxybenzoic Acid
3-Hydroxyanthranilic Acid
4-Pyridoxic Acid
Taurocholic Acid
Hododeoxycholic acid
Glycoursodeoxycholic Acid
Glycochenodeoxycholic Acid
Chenodeoxycholic Acid
4-Methylcatechol
Dulcitol
Enterodiol
Biotin
Xanthine
5-Methyluridine
Guanosine
Hypoxanthine
L-Thyroxine
A-Ketoglutaric Acid
Citramalic Acid
Tryptamine
D-Arabitol
D-Sorbitol
D-Glucose
D-Mannose
D-Trehalose
D-Erythronolactone
Lactose
Lactulose
L-Fucose
L-Rhamnose
Maltose
D-Glucoronic Acid
Vitamin D3
Pantothenate
Riboflavin
3-Indolepropionic Acid
1-Naphthylacetic Acid
2-Aminoethanesulfinic Acid
2-Aminoethanesulfonic Acid
2-Hydroxybutanoic Acid
2-Hydroxyisocaproic Acid
2-Methylsuccinic Acid
3-Hydroxy-3-Methyl Butyric Acid
3-Hydroxybutyrate
3-Hydroxypropanoic Acid
3-Methylcrotonyl Glycine
4-Hydroxy-2-Oxoglutaric Acid
Adipic Acid
Azelaic Acid
Caffeic Acid
Cinnamic Acid
Creatine
Glutaric Acid
Guanidinoethyl Sulfonate
Hippuric Acid
Hydrocinnamic Acid
Kinurenine
Kynurenic Acid
L-Lactic Acid
L-Dihydroorotic Acid
L-Homoserine
Malonicacid
Mandelic Acid
Methylmalonic Acid
N'-Formylkynurenine
Phenyllactate(Pla)
Pyrrole-2-Carboxylic Acid
Subericacid
TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-oic acid]
Lysopg 18:1
Lysope 18:1
Lysope 18:0
Lysope 16:0
Lysope 14:0
Lysopa 18:0
Lysopa 16:0
9-HpODE
13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid]
9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic acid]
γ-Linolenic Acid(C18:3N6)
Palmitoleic Acid(C16:1)
Hexadecanoic Acid(C16:0)
Linoleic Acid(C18:2N6C)
Dodecanoic Acid(C12:0)
Elaidic Acid(C18:1N9T)
EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]
DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]
Cis-11,14-Eicosadienoic Acid(C20:2)
Cis-11,14,17-Eicosatrienoic Acid(C20:3)
Capric Acid(C10:0)
Arachidic Acid(C20:0)
Α-Linolenic Acid(C18:3N3)
3-(3-Hydroxyphenyl)Propionate Acid
4-Hydroxybenzaldehyde
Ethylmalonate
2-(Formylamino)Benzoic Acid
Ureidoisobutyric Acid
Uridine 5-Monophosphate
N-Acetylglycine
Cyclic Amp
2-(Dimethylamino)Guanosine
5-Hydroxyhexanoic Acid
Β-Pseudouridine
N-Acetylthreonine
Hypoxanthine-9-β-D-Arabinofuranoside
Guanine
D-Sedoheptuiose 7-Phosphate
Aminomalonic Acid
Dl-Glyceraldehyde3-Phosphate
2,4-Dihydroxy Benzoic Acid
Fumaric Acid
8,15-Dihete
N-Acetylmethionine
Argininosuccinic acid
2-Deoxyribose 1-Phosphate
N-Acetylglucosamine 1-Phosphate
Pimelic acid
Xanthosine
estrone 3-sulfate
DL-3,4-Dihydroxyphenyl glycol
6-Ketoprostaglandin E1
Indoleacrylic acid
2-(4-Hydroxyphenyl)ethanol
Indole-3-carbinol
DL-Benzylsuccinic acid
2-Methylguanosine
N-lactoyl-phenylalanine
Imidazoleacetic acid
N-Acetylvaline
Glycerol 3-phosphate
D-Malic acid
deoxyguanosine 5'-monophosphate(dGMP)
Tetradecanedioic acid
5-Methoxytryptophol
Uridine triphosphate(UTP)
6β-hydroxytestosterone
O-Acetyl-L-serine
Salicyluric acid
Ellagic acid
Succinic anhydride
Hydantoin-5-propionic acid
Indoleacetaldehyde
Hexadecanedioic acid
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Gamma-Glu-Leu
Isopropyl myristate
succinylsulfathiazole
Octadecanamide
Undecanedioic acid
Oxaloacetic acid
N-(2-Methylbenzoyl)glycine
2,4-Hexadienoic acid
Ricinoleic acid
4-Hydroxybenzyl alcohol
Methanesulfonic acid
Propylparaben
Methylparaben
(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid]
(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid]
(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid]
(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid]
(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid]
(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid]
(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid]
(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid]
(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid]
11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrienoic acid]
12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]
13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]
14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid]
9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]
9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]
Prostaglandin E2
PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien-1-oic acid]
TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic acid]
Myoinositol
4-Hydroxyhippurate
N-acetyl-beta-alanine
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
N-acetylornithine
N-Alpha-Acetyl-L-Asparagine
3-Ureidopropionate
N-Amidino-L-Aspartate
Cortisol 21-Acetate
Dethiobiotin
Mono-Methyl Glutarate
2',4'-Dihydroxyacetophenone
Inosine
Phosphoenolpyruvate
Uric acid
3-(4-Hydroxyphenyl)-Propionic Acid
5,6-Dimethylbenzimidazole
Glycyl-phenylacrylic acid
13(R)-HODE
9(S)-HpOTrE
Pyrocatechol
Taurodeoxycholic acid
Glycine deoxycholic acid
Homo-Gamma-Linolenic Acid
9,12-octadecadienoic acid
Alpha-Mercholic Acid
Cis-9,10-epoxystearic acid
(4E,7E,10Z,13E,16E,19E) -docosa-4,7,10,13,16,19-hexanoic acid
12,13-DiHOME
Dioxindole
7-ketolithocholic acid
1,6-anhydro-β-D-glucose
16-Hydroxyhexadecanoic acid
12-ketolithocholic acid
23-deoxydeoxycholic acid
Gamma-Mercholic Acid
2-tridecane
2-Hydroxy-3,5-dinitrobenzoic acid
Orthocholic acid
2-hydroxyhexadecanoic acid
8,11-icosadienoic acid
3-hydroxyhexadecanoic acid
4-hydroxybenzoic acid
PysoPE 22:4(2n isomer1)
PysoPE 22:4
PysoPE 22:5(2n isomer3)
PysoPE 22:5(2n isomer2)
PysoPE 22:5(2n isomer1)
PysoPE 22:6(2n isomer1)
PysoPE 22:6
PysoPE 20:2(2n isomer1)
PysoPE 20:2
PysoPE 20:3(2n isomer1)
PysoPE 20:3
PysoPE 20:4(2n isomer1)
PysoPE 20:5(2n isomer1)
PysoPE 20:5
PysoPE 18:0(2n isomer)
PysoPE 18:2
PysoPE 18:3(2n isomer)
PysoPE 18:3
PysoPE 16:0(2n isomer)
PysoPE 16:1
Glycine linoleate
N-oleoyl-L-serine
METABOLITES_END
#END