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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13-Docosenamide13-DocosenamideME318538--11.564338.341776
19R-Hydroxy-PGE219R-Hydroxy-PGE2ME318539--8.896369.227176
1-Acetylindole-ME31854068470-5.483160.075676
1-hexadecyl-2-ethyl-sn-glycero-3-phosphocholine-ME31854124779410-11.713510.391776
1H-Indole-4-carbaldehydeIndole-4-carboxaldehydeME318542333703-3.668146.060076
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...-ME318543--13.85770.605776
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...-ME318544--14.378770.605776
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...-ME318545--15.123770.605776
25-hydroxy-cholesterol25-HydroxycholesterolME31854665094C1551912.376385.346876
2-acetylpyrrolidine@4.002-AcetylpyrrolidineME318547550747-4.003114.091276
2-acetylpyrrolidine@4.142-AcetylpyrrolidineME318548550747-4.137114.091676
2-Aminoacetophenone2-AminoacetophenoneME318549--2.706136.075676
2-O-(5_8_11_14_17-Eicosapentaenoyl)-1-O-hexadecylg...-ME318550--13.496766.574476
3-AMINO-2-NAPHTHOIC ACID-ME31855122244-3.668188.070576
4-Coumarylalcohol4-Coumaryl alcoholME318552--6.83151.075376
5-Hydroxyindole acetic acid5-Hydroxyindoleacetic acidME318553--2.707192.065476
6-methoxyquinoline6-MethoxyquinolineME318554--2.433160.075676
8-methoxy-4a-methyl-3_4_9_10-tetrahydrophenanthren...-ME318555259197-9.635243.137976
9Z_11E_13E-Octadecatrienoicacid_ethylester-ME31855612430060-11.591307.263176
Ala-Arg-Ala@6.85Ala-Arg-AlaME318557--6.849317.193176
Ala-Arg-Ala@7.50Ala-Arg-AlaME318558--7.499317.193176
Ala-Glu-ArgAla-Glu-ArgME318559--7.073375.198676
alpha-tocopherolalpha-TocopherolME31856014985C0247713.308431.387776
Alprenolol@11.53AlprenololME318562--11.531250.180176
Alprenolol@11.60AlprenololME318563--11.603250.180176
Alprenolol@8.58AlprenololME318561--8.581250.180176
AnilineAnilineME318564--2.70694.065176
Arg-Asp-GlyArg-Asp-GlyME318565--5.77347.167376
Arg-Asp-SerArg-Asp-SerME318566--5.48377.177876
Arg-Met-GlyArg-Met-GlyME318567--13.523363.180876
Arg-Thr-GlyArg-Thr-GlyME318568--5.797333.188076
Asp-PheAsp-PheME318569--3.834281.113176
benzylbutylphthalateBenzyl butyl phthalateME3185702347C1421110.228313.143476
bilirubinBilirubinME3185715280352C004868.079585.272476
biliverdinBiliverdinME3185725280353C005009.2583.256376
C19 STEROIDS (ANDROGENS) AND DERIVATIVES (C21H32O2...-ME318573--11.007317.247476
C19 STEROIDS(ANDROGENS)AND DERIVATIVES (C21H32O2)-ME318574--11.94317.247476
C21 STEROIDS AND DERIVATIVES(C21H30O4)-ME318575--7.872347.221676
C21STEROIDS(GLUCO/MINERALOCORTICOIDS_PROGESTOGINS)...-ME318576--11.722315.231876
C24 BILEACIDS_ALCOHOLS_AND DERIVATIVES (C24H42O4)-ME318578--11.926395.315576
C24 BILEACIDS AND DERIVATIVES(C24H40O4)-ME318577--11.13393.299976
Car(10:0)CAR 10:0ME31857910245190-8.209316.248276
Car(10:1)@7.59CAR 10:1ME318580--7.591314.233076
Car(10:1)@7.73CAR 10:1ME318581--7.728314.233076
Car(11:0)CAR 11:0ME318582--8.553330.264076
Car(12:0)@9.00CAR 12:0ME318583168381-9.001344.279576
Car(12:0)@9.12CAR 12:0ME318584168381-9.115344.279576
Car(12:1)CAR 12:1ME31858553481671-8.734342.264176
Car(14:0)CAR 14:0ME31858653477791-9.761372.311176
Car(14:2)CAR 14:2ME31858753481681-9.08368.279776
Car(16:0)CAR 16:0ME31858811953816C0299010.235400.342176
Car(16:2)CAR 16:2ME318589--9.644396.310376
Car(18:0)CAR 18:0ME3185906426855-10.586428.374176
Car(18:1)CAR 18:1ME31859153477789-10.343426.359076
Car(20:0)CAR 20:0ME31859253477833-10.86456.404776
Car(3:0)CAR 3:0ME318593107738C030172.29218.138976
Car(3:0, 2-CH3)CAR 3:0;2MeME318594168379-3.123232.154376
Car(4:0)CAR 4:0ME318595-C028623.209232.154376
Car(4:0,3-CH3)@3.98CAR 4:0;3MeME3185966426901-3.977246.169976
Car(4:0,3-CH3)@4.06CAR 4:0;3MeME3185976426901-4.055246.169976
Car(5:0-OH)CAR 5:0;OHME318598--2.591262.165276
Car(5:1)CAR 5:1ME318599--3.793244.154376
Car(6:0)CAR 6:0ME3186006426853-5.142260.185876
Car(8:0)CAR 8:0ME31860111953814C028386.934288.216976
Car(8:1)_aCAR 8:1ME318602--6.043286.201276
Car(8:1)_bCAR 8:1ME318603--6.205286.201776
Car(9:0)@7.31CAR 9:0ME31860453481660-7.306302.232576
Car(9:0)@7.45CAR 9:0ME31860553481660-7.445302.232876
carnitine@0.67CarnitineME3186062724480C003180.672162.113176
carnitine@0.76CarnitineME3186072724480C003180.759162.112976
Cetaben@11.53-ME31860847263-11.531362.305376
Cetaben@11.60-ME31860947263-11.603362.305376
cholesterolCholesterolME318610-C0018713.403369.353176
cholineCholineME318611305C001140.651104.107276
cortisolCortisolME3186125754C007357.788363.215476
cortisoneCortisoneME318613222786C007627.576361.201576
creatineCreatineME318614586C003000.693132.076776
CreatinineCreatinineME318615--0.683114.066176
diethylphthalateDiethyl phthalateME3186166781-8.289223.096476
Dihydromorphine-ME318617--7.339288.159376
diisononylphthalateDiisononyl phthalateME318618--12.228419.315576
EcgonineEcgonineME318619--1.044186.112476
epibrassinolide24-epi-BrassinolideME318620--9.841481.352776
Ethyl vanillin-ME318621--9.211167.070276
Etonogestrel-ME318622--11.492325.216176
FA(12:0-NH2)Aminododecanoic acidME318623--8.061216.195776
FA(16:1)Hexadecenoic acidME318624-C0836211.325255.231276
FA(18:1)@11.57Octadecenoic acidME318625-C0071211.566283.262576
FA(18:1)@11.69Octadecenoic acidME318626-C0071211.686283.263376
FA(20:2(OH_Ke_cyclo))-ME318627--9.979337.237376
FLAVANONES(C16H14O3)-ME318628--10.725255.101576
gamma-glutamylleucinegamma-GlutamylleucineME318629151023-4.167261.144476
Glu-PheGlu-PheME318630111299-4.376295.128876
Glu-Thr-ArgGlu-Thr-ArgME318631--6.686405.209176
Gly-Arg-Glu@13.52Gly-Arg-GluME318632--13.523361.182976
Gly-Arg-Glu@14.27Gly-Arg-GluME318633--14.265361.182976
glycochenodeoxycholate@10.02Glycochenodeoxycholic acidME31863412544C0546210.024450.321776
glycochenodeoxycholate@10.16Glycochenodeoxycholic acidME31863512544C0546210.158450.322176
glycocholateGlycocholic acidME31863810140C019219.624466.316276
glycocholate@9.54Glycocholic acidME31863610140C019219.54466.316276
glycocholate@9.62Glycocholic acidME31863710140C019219.624466.316276
Gly-Val-Arg@7.52Gly-Val-ArgME318639--7.52331.208876
Gly-Val-Arg@8.20Gly-Val-ArgME318640--8.2331.208876
His-Trp-GluHis-Trp-GluME318641--3.143471.198676
HypoxanthineHypoxanthineME318642--2.482137.045776
Ile-Arg-GlyIle-Arg-GlyME318643--8.614345.224476
Ile-Arg-ValIle-Arg-ValME318644--10.059387.271476
Ile-ValIle-ValME318645435949-3.552231.170676
IndoleIndoleME318646--3.668118.065176
indole-3-lactateIndolelactic acidME318647-C020435.483206.081176
indoleacetateIndoleacetic acidME318648802C009545.924176.070576
inosineInosineME3186496021C002942.501269.088076
kynurenineKynurenineME318650161166C003282.708209.092776
L-ArginineArginineME318651--0.629175.118976
lenticinLenticinME318652442106C092133.864247.144376
Leu-Ala-ArgLeu-Ala-ArgME318653--9.176359.240176
LeucylprolineLeu-ProME318654--0.717229.154676
Leu-IleLeu-IleME3186557010533-4.94245.186576
LPC(15:0)LPC 15:0ME318656-C0423010.865482.324976
LPC(16:0)@10.98LPC 16:0ME318657-C0423010.977496.341076
LPC(16:0)@11.09LPC 16:0ME318658-C0423011.093496.341476
LPC(17:0)LPC 17:0ME318659-C0423011.297510.355576
LPC(18:1)LPC 18:1ME318660--11.096522.356976
LPC(18:2)@10.82LPC 18:2ME318661-C0423010.82520.340976
LPC(18:2)@10.94LPC 18:2ME318662-C0423010.936520.341176
LPC(20:0)LPC 20:0ME318663-C0423011.831552.402376
LPC(20:3)@11.37LPC 20:3ME318664-C0423011.374546.354776
LPC(20:3)@11.60LPC 20:3ME318665-C0423011.596546.354276
LPC(20:4)LPC 20:4ME318666-C0423010.921544.340776
LPE(18:2)@10.60LPE 18:2ME318667460604C0423010.596468.309076
LPE(18:2)@10.64LPE 18:2ME318668-C0423010.639494.324076
LPE(18:2)@10.75LPE 18:2ME318669-C0423010.754494.324076
LPE(18:2)@10.76LPE 18:2ME318670-C0423010.763494.324776
LPE(18:2)@10.79LPE 18:2ME318671--10.795478.293476
LPE(18:2)@10.90LPE 18:2ME318672--10.898478.293876
MethylArachidonate-ME318673--11.898319.263176
methyllinolenate@11.72-ME318674--11.72293.247476
methyllinolenate@11.85-ME318675--11.855293.247476
Methyltestosterone17-MethyltestosteroneME318676--10.715303.231876
MetipranololMetipranololME318677--6.541310.201276
MG(16:0)MG 16:0ME318678--11.356331.284276
MG(18:1)@11.44MG 18:1ME318679--11.44357.299976
MG(18:1)@11.51MG 18:1ME318680--11.506357.299976
oleamideOleamideME3186815283387C1967011.363282.279376
OLEANANE TRITERPENOIDS (C30H46O4)@11.58-ME318683--11.583471.346876
OLEANANE TRITERPENOIDS (C30H46O4)@11.70-ME318682--11.698471.346876
Oxymesterone@10.47-ME318684--10.465319.226776
Oxymesterone@10.62-ME318685--10.624319.226776
OxyquinolineQuinolin-8-olME318686--2.706146.060076
pantothenate@3.41Pantothenic acidME3186876613C008643.415220.117976
pantothenate@3.48Pantothenic acidME3186886613C008643.484220.117976
PC(28:0)PC 28:0ME318689--12.581678.506876
PC(30:0)PC 30:0ME318690--13.045706.539876
PC(32:0)PC 32:0ME318691--13.631734.569476
PC(32:1)PC 32:1ME318692--13.149732.555576
PC(32:2)PC 32:2ME318693--12.813730.539676
PC(33:2)PC 33:2ME318694--13.047744.555076
PC(34:1)PC 34:1ME318695--13.741760.586876
PC(34:2)PC 34:2ME318696--13.31758.571276
PC(34:3)@12.91PC 34:3ME318697--12.908756.555076
PC(34:3)@13.02PC 34:3ME318698--13.015756.555276
PC(34:4)PC 34:4ME318699--12.754754.539076
PC(35:2)@13.54PC 35:2ME318700--13.536772.585076
PC(35:2)@13.64PC 35:2ME318701--13.637772.585076
PC(35:3)PC 35:3ME318702--13.166770.569476
PC(36:2)PC 36:2ME3187036441487C0015713.984786.602376
PC(36:4)PC 36:4ME318704--13.055782.570976
PC(38:4)PC 38:4ME318705--13.888810.600776
PC(38:6)@13.01PC 38:6ME318706--13.005806.570076
PC(38:6)@13.17PC 38:6ME318707--13.165806.571076
PC(40:6)PC 40:6ME318708--13.802834.601876
PC(40:8)PC 40:8ME318709--13.385830.569576
PC(O-36:4)PC O-36:4ME318710--13.665768.590176
Phe-LeuPhe-LeuME318711--5.398279.170276
Phe-PhePhe-PheME318712--5.625313.155976
Phe-TrpPhe-TrpME318713--5.583352.165976
piperinePiperineME318714638024C038829.235286.144676
PRIMARYAMIDES(C18H37NO)-ME318715--11.621284.294776
Pro-Gly-ValPro-Gly-ValME318716--3.161272.160476
proline@0.62ProlineME318717145742C001480.619116.070576
proline@0.70ProlineME318718145742C001480.701116.070576
Pyroglutamic acidPyroglutamic acidME318719--4.452130.049876
S-allylcysteineS-AllylcysteineME31872098280C167592.363162.058676
Ser-Arg-Ile@7.70Ser-Arg-IleME318721--7.698375.235076
Ser-Arg-Ile@8.21Ser-Arg-IleME318722--8.211375.235076
Ser-Arg-Ile@8.36Ser-Arg-IleME318723--8.357375.235076
Ser-Val-Arg@7.08Ser-Val-ArgME318724--7.083361.219376
Ser-Val-Arg@7.70Ser-Val-ArgME318725--7.703361.219376
SM(d35:1)@13.14SM 35:1;O2ME318726--13.136717.589976
SM(d35:1)@13.22SM 35:1;O2ME318727--13.221717.590776
SM(d36:2)SM 36:2;O2ME3187286443882-13.106729.590476
SM(d36:3)SM 36:3;O2ME318729--12.75727.575576
SM(d40:1)SM 40:1;O2ME318730--15.346787.668776
SM(d40:2)SM 40:2;O2ME318731--14.453785.654976
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME318732657272C006700.638258.110976
sn-Glycero-3-phosphocholine @10.89sn-Glycero-3-phosphocholineME318534--10.894258.110076
sn-Glycero-3-phosphocholine @11.05sn-Glycero-3-phosphocholineME318535--11.046258.110076
sn-Glycero-3-phosphocholine @11.16sn-Glycero-3-phosphocholineME318536--11.161258.110076
sn-Glycero-3-phosphocholine @11.48sn-Glycero-3-phosphocholineME318537--11.475258.110076
SpectinomycinSpectinomycinME318733--9.047333.165676
sphinganine (C16)C16 SphinganineME318734--8.806274.274376
sphingosine-1P (C18)Sphingosine 1-phosphateME318736-C0612410.652380.254376
sphingosine (C18)SphingosineME3187355353955C003199.957300.289876
Thr-Ala-ArgThr-Ala-ArgME318737--6.444347.203776
thyroxineThyroxineME3187385819C018298.522777.693976
tris(2-butoxyethyl)phosphate-ME318739--10.447399.250576
tryptophanTryptophanME3187406305C000783.665205.098176
urobilinogenD-UrobilinogenME318741440784C057917.119591.317976


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Benzenediol-ME318742--4.2300109.029524
2-hydroxy-3-methylbutyrate2-Hydroxy-3-methylbutyric acidME318743--3.6380117.055724
2-Hydroxystearic acid2-Hydroxystearic acidME318744--11.5640299.259224
2-tert-Butyl-1,4-benzenediol-ME318745--6.0690165.092124
3,4-dihydroxybenzoateProtocatechuic acidME318746--4.2250153.019324
3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucu...-ME318747--9.8240495.296324
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME318748--8.5140239.092524
3-hydroxybutyrate3-Hydroxybutyric acidME318749--2.1150103.040024
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME318750--4.1670129.055724
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME318751--4.5210121.029524
4-Hydroxybenzenesulfonic acid4-Hydroxybenzenesulfonic acidME318752--3.3190172.991424
5-Isopropyl-2-methylphenol-ME318753--7.4880149.097224
Acenocoumarol@7.11AcenocoumarolME318754--7.1070352.082624
Acenocoumarol@7.27AcenocoumarolME318755--7.2740352.082624
AdenineAdenineME318756--3.7070134.047224
alpha-N-phenylacetylglutaminealpha-N-PhenylacetylglutamineME318757--4.4680263.103724
alpha-tocopherolalpha-TocopherolME318758--13.3240429.373124
androsterone sulfate@8.665alpha-Androstane-3alpha-ol-17-one sulfateME318759--8.6610369.174124
androsterone sulfate@9.065alpha-Androstane-3alpha-ol-17-one sulfateME318760--9.0630369.174024
androsterone sulfate@9.165alpha-Androstane-3alpha-ol-17-one sulfateME318761--9.1630369.175124
aspirinAspirinME318762--6.7660179.034624
BRANCHED FATTY ACIDS (C16H32O2)@10.99-ME318763--10.9950255.232924
BRANCHED FATTY ACIDS (C16H32O2)@11.11-ME318764--11.1110255.232924
BRANCHED FATTY ACIDS (C16H32O2)@13.43-ME318765--13.4310255.232924
BuprenorphineBuprenorphineME318766--10.8810466.296324
C24 BILE ACIDS, ALCOHOLS, AND DERIVATIVES (C24H40O...-ME318767--11.1640391.285424
C24 BILE ACIDS, ALCOHOLS, AND DERIVATIVES (C24H40O...-ME318768--11.2940391.285424
Cer(d34:0)Cer 34:0;O2ME318769--13.4070538.520424
Cer(d42:2)Cer 42:2;O2ME318770--16.3660646.614324
chenodeoxycholateChenodeoxycholic acidME318771--10.5840391.285424
cholateCholic acidME318772--10.0900407.280524
dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME318773--8.4160367.159624
deoxycholateDeoxycholic acidME318774--10.6540391.285424
Dextrothyroxine-ME318775--8.5480775.679424
epibrassinolide+HCOOH24-epi-BrassinolideME318776--9.7290525.342624
EthylparabenEthylparabenME318777--5.7690165.055724
FA(10:0-COOH)Sebacic acidME318778--7.5090201.113224
FA(10:0-OH)@8.80Hydroxydecanoic acidME318779--8.7960187.133924
FA(10:0-OH)@9.14Hydroxydecanoic acidME318780--9.1380187.133924
FA(11:0-COOH)Dodecanedioic acidME318781--8.1880215.129224
FA(12:0)Lauric acidME318782--10.7410199.170524
FA(12:0-OH)@9.51Hydroxydodecanoic acidME318783--9.5080215.165424
FA(12:0-OH)@9.84Hydroxydodecanoic acidME318784--9.8350215.165224
FA(14:0)Myristic acidME318785--11.2360227.201824
FA(14:0-OH)@10.15Hydroxytetradecanoic acidME318786--10.1450243.196724
FA(14:0-OH)@10.55Hydroxytetradecanoic acidME318787--10.5510243.196724
FA(14:0-OH)@10.74Hydroxytetradecanoic acidME318788--10.7360243.196724
FA(14:1)@10.92Tetradecenoic acidME318789--10.9190225.186024
FA(14:1)@10.98Tetradecenoic acidME318790--10.9780225.186024
FA(14:2)Tetradecadienoic acidME318791--10.6700223.170224
FA(15:0)Pentadecylic acidME318792--11.3660241.217324
FA(16:0)Palmitic acidME318796--11.6190255.233724
FA(16:0-COOH)@10.19Heptadecanedioic acidME318797--10.1890285.207024
FA(16:0-COOH)@10.34Heptadecanedioic acidME318798--10.3390285.207124
FA(16:0(OH))@10.44Hydroxyhexadecanoic acidME318793--10.4420271.227824
FA(16:0(OH))@10.57Hydroxyhexadecanoic acidME318794--10.5740271.227824
FA(16:0(OH))@10.74Hydroxyhexadecanoic acidME318795--10.7420271.227824
FA(16:0-OH)@10.88Hydroxyhexadecanoic acidME318799--10.8750271.227824
FA(16:0-OH)@11.06Hydroxyhexadecanoic acidME318800--11.0620271.227824
FA(16:0-OH)@11.20Hydroxyhexadecanoic acidME318801--11.2030271.228324
FA(16:1)Hexadecenoic acidME318802--11.3490253.217824
FA(17:0)@11.63Margaric acidME318803--11.6280269.248624
FA(17:0)@11.80Margaric acidME318804--11.7960269.248624
FA(18:0)Stearic acidME318806--11.9830283.265024
FA(18:0(Ep))-ME318805--10.6920297.243524
FA(18:1)@11.08Octadecenoic acidME318808--11.0780281.248624
FA(18:1)@11.21Octadecenoic acidME318809--11.2140281.248624
FA(18:1)@11.70Octadecenoic acidME318807--11.7010281.249624
FA(18:1)@13.77Octadecenoic acidME318810--13.7720281.248624
FA(18:2)@10.83Octadecadienoic acidME318814--10.8340279.232924
FA(18:2)@10.95Octadecadienoic acidME318815--10.9460279.232924
FA(18:2)@11.48Octadecadienoic acidME318813--11.4760279.233924
FA(18:2(OH))@10.49Hydroxyoctadecadienoic acidME318811--10.4860295.227824
FA(18:2(OH))@10.65Hydroxyoctadecadienoic acidME318812--10.6500295.227824
FA(18:3)Octadecatrienoic acidME318816--11.2820277.217324
FA(18:4)Octadecatetraenoic acidME318817--11.0730275.201524
FA(19:1)Nonadecenoic acidME318818--11.8720295.264224
FA(20:0)@12.06Arachidic acidME318819--12.0590311.295524
FA(20:0)@12.41Arachidic acidME318820--12.4060311.295524
FA(20:1)Eicosenoic acidME318821--12.1410309.279924
FA(20:2)Eicosadienoic acidME318822--11.8120307.264224
FA(20:3)@11.02Eicosatrienoic acidME318825--11.0170305.248624
FA(20:3)@11.13Eicosatrienoic acidME318826--11.1340305.248624
FA(20:3)@11.61Eicosatrienoic acidME318824--11.6100305.248624
FA(20:3(OH2))-ME318823--10.6440337.238424
FA(20:4)@10.83Arachidonic acidME318828--10.8270303.232924
FA(20:4)@10.92Arachidonic acidME318829--10.9220303.232924
FA(20:4)@11.46Arachidonic acidME318827--11.4580303.232924
FA(20:4)@13.38Arachidonic acidME318830--13.3840303.232924
FA(20:4)@13.52Arachidonic acidME318831--13.5200303.232924
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME318832--11.2660301.217324
FA(22:0)Behenic acidME318833--12.9260339.326324
FA(22:1)Docosenoic acidME318834--12.4730337.311224
FA(22:3)Docosatrienoic acidME318835--11.9410333.279224
FA(22:4)Docosatetraenoic acidME318836--11.7340331.264324
FA(22:5)@11.55Docosapentaenoic acidME318837--11.5520329.248624
FA(22:5)@11.62Docosapentaenoic acidME318838--11.6170329.248624
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME318839--11.4360327.232924
FA(23:0)Tricosylic acidME318840--12.8780353.342524
FA(24:0)Lignoceric acidME318841--13.6090367.358124
FA(24:1)Tetracosenoic acidME318842--13.0000365.342524
FA(26:0)Cerotic acidME318843--13.8800395.389424
FA(8:0-OH)Hydroxyoctanoic acidME318844--7.1970159.102624
FA(9:0-COOH)Azelaic acidME318845--6.7100187.097624
gamma-glutamylleucinegamma-GlutamylleucineME318846--4.1810259.129924
gibberellic acidGibberellin A3ME318847--5.7200345.134624
glutamineGlutamineME318848--0.6380145.061824
GLYCINE CONJUGATES (C26H43NO6)@8.61-ME318849--8.6140464.301724
GLYCINE CONJUGATES (C26H43NO6)@8.75-ME318850--8.7500464.301724
glycochenodeoxycholateGlycochenodeoxycholic acidME318851--10.0420448.307724
glycocholateGlycocholic acidME318852--9.5570464.301724
glycodeoxycholateGlycodeoxycholic acidME318853--10.1770448.306824
glycohyocholateGlycohyocholic acidME318854--9.1250464.301424
glycoursodeoxycholateGlycoursodeoxycholic acidME318855--9.1070448.307024
hippurateHippuric acidME318856--4.3400178.050924
histidineHistidineME318857--0.6170154.062224
hydroxyphenyllactic acidHydroxyphenyllactic acidME318858--3.6900181.050624
hyodeoxycholate@10.12Hyodeoxycholic acidME318860--10.1190391.285424
hyodeoxycholate@9.98Hyodeoxycholic acidME318859--9.9800391.285424
HypoxanthineHypoxanthineME318861--2.5020135.031224
IndoleacetaldehydeIndoleacetaldehydeME318863--5.5020158.061124
indole lactateIndolelactic acidME318862--5.5020204.065524
Indoxyl sulfateIndoxyl sulfateME318864--3.5440212.002324
InosineInosineME318865--2.4990267.073524
ketoleucineKetoleucineME318866--4.4100129.055724
kynurenateKynurenic acidME318867--4.3610188.035324
lactateLactic acidME318868--0.700089.024424
Lauryl sulfate-ME318869--11.2510265.147924
L-GlutamineGlutamineME318870--4.4670145.061824
lithocholateLithocholic acidME318871--10.8940375.289324
lithocholate glycine conjugateGlycolithocholic acidME318872--10.3020432.312024
L-Lactic acid@1.02Lactic acidME318873--1.020089.024424
L-LeucineLeucineME318874--1.9340130.087324
Lys-Phe-TyrLys-Phe-TyrME318875--9.2110455.230024
methyl-3-hydroxybenzoateMethyl 3-hydroxybenzoateME318876--4.7780151.040024
m-hydroxybenzoic acid3-Hydroxybenzoic acidME318877--6.1190137.024424
N-ACETYLLEUCINE@3.71N-AcetylleucineME318878--3.7050172.097924
omega-muricholateomega-Muricholic acidME318879--9.8310407.280324
p-Cresol@4.51P-CresolME318880--4.5050107.050224
p-Cresol@4.64P-CresolME318881--4.6430107.050224
Perfluorooctanesulfonic acidPerfluorooctanesulfonic acidME318882--10.0320498.930224
phenylalaninePhenylalanineME318883--3.1870164.071724
pregnanolone sulphate-ME318884--9.1910397.205424
pregnenolone sulfatePregnenolone sulfateME318885--9.4070395.189724
PROSTAGLANDINS (C23H32O5)-ME318886--10.7350387.217724
retinoate@11.10Retinoic acidME318887--11.1030299.202424
retinoate@11.28Retinoic acidME318888--11.2830299.201624
sphingosine-1P (C18)Sphingosine 1-phosphateME318889--10.6740378.242024
SULFATES (C19H28O5S)-ME318890--9.1370367.158424
SULFATES (C19H30O5S)-ME318891--8.0840369.174124
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME318892--8.4100514.284424
tauro-beta-muricholateTauro-beta-muricholic acidME318893--8.5150514.284424
taurocholateTaurocholic acidME318894--9.6530514.284424
taurodeoxycholateTaurodeoxycholic acidME318895--10.4060498.289524
tryptophanTryptophanME318896--3.6790203.083024
urateUric acidME318897--1.2650167.021024
ursodeoxycholateUrsodeoxycholic acidME318898--9.7780391.285424


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