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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
1-methylurate1-Methyluric acidME633860--2.73183.050276
2-acetylpyrrolidine2-AcetylpyrrolidineME633833--4.17114.091376
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME633865--9.2195.102976
3-indolepropionate3-Indolepropionic acidME633863--6.69190.085776
5-hydroxy-L-tryptophan5-Hydroxy-tryptophanME633876--2.31221.092476
5'-methylthioadenosine5'-MethylthioadenosineME633910--3.97298.096976
adipateAdipic acidME633844--3.63147.058676
Ala-LeuAla-LeuME633866--2.54203.139776
alpha-tocopherolalpha-TocopherolME633945--13.39431.388076
aminobutyrateAminobutyric acidME633830--0.71104.073276
azelaateAzelaic acidME633861--6.71189.111876
benzylbutylphthalateBenzyl butyl phthalateME633918--10.24313.148276
bilirubinBilirubinME633963--7.93585.270076
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME633936--11.9391.284676
Car(10:0)CAR 10:0ME633921--7.98316.248376
Car(10:0-OH)CAR 10:0;OHME633924--7.2332.242676
Car(10:1)CAR 10:1ME633920--7.52314.232076
Car(11:0)CAR 11:0ME633922--8.34330.263076
Car(12:0)CAR 12:0ME633926--8.85344.279676
Car(12:1)CAR 12:1ME633925--8.46342.263676
Car(14:0)CAR 14:0ME633934--9.48372.311376
Car(14:1)CAR 14:1ME633933--9.18370.297376
Car(14:2)CAR 14:2ME633931--8.82368.279576
Car(16:0)CAR 16:0ME633941--9.96400.342876
Car(16:1)CAR 16:1ME633940--9.67398.327176
Car(16:2)CAR 16:2ME633939--9.37396.311376
Car(16:3)CAR 16:3ME633938--9.38394.295676
Car(18:0)CAR 18:0ME633944--10.33428.374276
Car(18:1)CAR 18:1ME633943--10.08426.358476
Car(18:2)CAR 18:2ME633942--9.62424.344076
Car(2:0)CAR 2:0ME633868--1.1204.123676
Car(20:0)CAR 20:0ME633947--10.63456.405076
Car(3:0)CAR 3:0ME633872--2.22218.139276
Car(3:0, 2-CH3)CAR 3:0;2MeME633881--3.06232.154876
Car(4:0)CAR 4:0ME633882--3.14232.154976
Car(4:0,3-CH3)CAR 4:0;3MeME633888--3.91246.170176
Car(4:0-OH)CAR 4:0;OHME633891--1.86248.146476
Car(5:0)CAR 5:0ME633890--3.98246.170276
Car(5:0) isomersCAR 5:0ME633889--3.98246.170276
Car(5:0-OH)CAR 5:0;OHME633897--2.56262.165176
Car(5:1)CAR 5:1ME633884--3.8244.154176
Car(6:0)CAR 6:0ME633894--5.04260.185976
Car(8:0)CAR 8:0ME633908--6.76288.216976
Car(8:0-OH)CAR 8:0;OHME633915--5.64304.211476
Car(8:1)CAR 8:1ME633907--5.96286.200976
Car(9:0)CAR 9:0ME633912--7.14302.232376
cholesterolCholesterolME633932--13.5369.351976
cholineCholineME633831--0.62104.107576
citrateCitric acidME633864--1.22193.032876
cortisolCortisolME633929--7.68363.216276
creatineCreatineME633839--0.69132.081876
cytidineCytidineME633883--1.01244.092176
deoxycholateDeoxycholic acidME633937--10.62393.300276
deoxyguanosineDeoxyguanosineME633899--2.44268.104476
DG(32:0)DG 32:0ME633962--15.12569.513776
DG(32:1)DG 32:1ME633961--14.32567.498176
DG(34:1)DG 34:1ME633967--15.37595.530776
DG(34:2)DG 34:2ME633965--14.63593.515476
DG(36:2)DG(18:1_18:1_0:0)DG 18:1_18:1ME633969--15.61621.545676
DG(36:3)DG 36:3ME633968--14.84619.530876
diethylphthalateDiethyl phthalateME633877--8.27223.096876
dimethylglycineDimethylglycineME633829--0.84104.072676
FA(12:0-NH2)Aminododecanoic acidME633871--8.05216.195476
FA(18:1)Octadecenoic acidME633906--11.62283.263176
FA(18:2)Octadecadienoic acidME633904--11.51281.242076
FA(8:0, 2-NH2)2-Aminocaprylic acidME633849--5.14160.135276
gamma-glutamylisoleucinegamma-GlutamylisoleucineME633895--4.03261.141676
gamma-glutamylleucinegamma-GlutamylleucineME633896--4.19261.144076
gamma-glutamyltyrosinegamma-GlutamyltyrosineME633916--3.16311.125476
glucoseGlucoseME633859--0.67181.073076
Glu-PheGlu-PheME633909--4.38295.128476
glutamineGlutamineME633845--0.62147.076576
glycochenodeoxycholateGlycochenodeoxycholic acidME633946--10.2450.322676
glycocholateGlycocholic acidME633948--9.57466.317176
GMPGMPME633930--1.28364.065176
guanineGuanineME633848--0.97152.057076
hippurateHippuric acidME633858--4.36180.065376
hypoxanthineHypoxanthineME633842--1.29137.046376
Ile-IleIle-IleME633886--4.36245.185276
Ile-ProIle-ProME633879--2.12229.154376
Ile-ValIle-ValME633880--3.5231.170176
indoleacetateIndoleacetic acidME633856--5.95176.070376
inosineInosineME633900--2.48269.088476
IsoleucineIsoleucineME633840--1.85132.101876
kynurenineKynurenineME633870--2.78209.091276
leucineLeucineME633841--1.97132.102076
Leu-IleLeu-IleME633887--4.72245.188476
Leu-ProLeu-ProME633878--2.12229.154376
lysineLysineME633846--0.52147.112776
mesobilirubinogenMesobilirubinogenME633964--7.03593.331876
methionineMethionineME633847--1.15150.056176
MG(14:0_0:0_0:0)MG 14:0ME633914--10.99303.251176
MG(16:0_0:0_0:0)MG 16:0ME633923--11.38331.284976
MG(18:1_0:0_0:0)MG 18:1ME633928--11.48357.300476
monoethylhexyl phthalateMonoethylhexyl phthalic acidME633903--10.28279.159176
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME633917--3.52312.142176
N-acetylleucineN-AcetylleucineME633854--5.35174.114776
N-acetyllysineN(2)-AcetyllysineME633862--2.67189.123576
N-acetylserotoninN-AcetylserotoninME633873--4.66219.113876
N-gammaglutamylmethionineN-gamma-GlutamylmethionineME633902--2.76279.096776
niacinamideNiacinamideME633837--1.38123.055976
N-lauroylglycineNAGly 12:0ME633893--9.23258.208176
N-undecanoylglycineNAGly 11:0ME633885--8.45244.190476
oleamideOleamideME633905--11.39282.278476
pantothenatePantothenic acidME633875--3.44220.118276
PC(14:0)PC(14:0_0:0)LPC 14:0ME633949--10.56468.308676
PC(15:0)PC(15:0_0:0)LPC 15:0ME633951--10.84482.323676
PC(16:0)PC(16:0_0:0)LPC 16:0ME633954--11.05496.340776
PC(16:1)PC(16:1_0:0)LPC 16:1ME633953--10.73494.324476
PC(17:0)PC(17:0_0:0)LPC 17:0ME633955--11.25510.356076
PC(18:1)PC(18:1_0:0)LPC 18:1ME633957--11.16522.356476
PC(18:2)PC(18:2_0:0)LPC 18:2ME633956--10.91520.340776
PC(20:0)PC(20:0_0:0)LPC 20:0ME633960--11.74552.402476
PC(20:3)PC(20:3_0:0)LPC 20:3ME633959--11.45546.354076
PC(20:4)PC(20:4_0:0)LPC 20:4ME633958--10.91544.340776
PC(28:0)PC 28:0ME633971--12.53678.504276
PC(30:0)PC 30:0ME633973--12.99706.537276
PC(32:0)PC 32:0ME633979--13.49734.571076
PC(32:1)PC 32:1ME633978--13.03732.555476
PC(32:2)PC 32:2ME633976--12.71730.539676
PC(33:2)PC 33:2ME633980--12.95744.553976
PC(34:1)PC 34:1ME633984--13.61760.586776
PC(34:2)PC 34:2ME633983--13.22758.571176
PC(34:3)PC 34:3ME633982--12.95756.555176
PC(34:4)PC 34:4ME633981--12.68754.539676
PC(35:2)PC 35:2ME633986--13.51772.586776
PC(35:3)PC 35:3ME633985--13.04770.565476
PC(36:2)PC 36:2ME633990--13.87786.602376
PC(36:3)PC 36:3ME633989--13.52784.586376
PC(36:4)PC 36:4ME633988--13.12782.570976
PC(38:6)PC 38:6ME633992--13.07806.571076
PC(40:6)PC 40:6ME633996--13.7834.602576
PC(40:8)PC 40:8ME633995--13.27830.567476
PE(18:0)PE(18:0_0:0)LPE 18:0ME633952--11.44482.324176
PE(18:2)PE(18:2_0:0)LPE 18:2ME633950--10.83478.293176
phenylalaninePhenylalanineME633851--2.79166.086476
Phe-PhePhe-PheME633919--5.53313.155876
Phe-TrpPhe-TrpME633927--5.62352.160176
prolineProlineME633834--0.71116.075076
Pro-PhePro-PheME633898--4.59263.140976
pyridoxaminePyridoxamineME633853--0.54169.094576
pyroglutamatePyroglutamic acidME633838--1.22130.049576
S-allylcysteineS-AllylcysteineME633850--2.43162.058676
Ser-LeuSer-LeuME633874--3219.130176
serotoninSerotoninME633857--2.38177.101776
SM(d32:1)SM 32:1;O2ME633970--12.43675.542776
SM(d34:2)SM 34:2;O2ME633972--12.53701.560076
SM(d35:1)SM 35:1;O2ME633974--13.11717.589876
SM(d36:1)SM 36:1;O2ME633977--13.4731.606976
SM(d36:2)SM 36:2;O2ME633975--13729.590176
SM(d40:1)SM 40:1;O2ME633991--15.09787.669176
SM(d42:1)SM 42:1;O2ME633994--16.39815.700676
SM(d42:2)SM 42:2;O2ME633993--15.21813.685376
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME633892--0.63258.110876
spermidineSpermidineME633843--0.5146.165176
spermineSpermineME633867--0.5203.222876
sphinganine (C16)C16 SphinganineME633901--8.51274.274476
sphinganine (C18)SphinganineME633913--9.76302.305076
sphingosine-1P (C18)Sphingosine 1-phosphateME633935--10.67380.255776
sphingosine (C18)SphingosineME633911--9.78300.289676
suberateSuberic acidME633855--5.85175.096076
thyroxineThyroxineME633987--8.49777.691776
trans-cyclohexane-1,2-dioltrans-Cyclohexane-1,2-diolME633835--3.78117.091176
tryptophanTryptophanME633869--3.63205.097376
uracilUracilME633832--1.89113.034276
urateUric acidME633852--1.28169.035676
urobilinL-UrobilinME633966--7.11595.348276
valineValineME633836--0.78118.086876


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