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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
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME636439--9.19195.101476
3-indolepropionate3-Indolepropionic acidME636438--6.66190.085776
5'-methylthioadenosine5'-MethylthioadenosineME636478--3.96298.096576
alanineAlanineME636413--0.6990.057676
alpha-tocopherolalpha-TocopherolME636511--13.41431.387176
benzylbutylphthalateBenzyl butyl phthalateME636485--10.23313.143476
bilirubinBilirubinME636533--7.88585.269976
biliverdinBiliverdinME636532--9.32583.254276
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME636502--11.9391.283976
Car(10:0)CAR 10:0ME636488--7.93316.247976
Car(10:0-OH)CAR 10:0;OHME636491--7.15332.242376
Car(10:1)CAR 10:1ME636487--7.48314.232176
Car(11:0)CAR 11:0ME636489--8.39330.263276
Car(12:0)CAR 12:0ME636493--8.79344.279376
Car(12:1)CAR 12:1ME636492--8.4342.263276
Car(14:0)CAR 14:0ME636500--9.43372.311076
Car(14:1)CAR 14:1ME636499--9.13370.294976
Car(14:2)CAR 14:2ME636497--8.76368.278976
Car(16:0)CAR 16:0ME636507--9.92400.342876
Car(16:1)CAR 16:1ME636506--9.62398.326376
Car(16:2)CAR 16:2ME636505--9.32396.310276
Car(16:3)CAR 16:3ME636504--9.13394.294676
Car(18:0)CAR 18:0ME636510--10.3428.374076
Car(18:1)CAR 18:1ME636509--10.04426.358376
Car(18:2)CAR 18:2ME636508--9.79424.342876
Car(2:0)CAR 2:0ME636440--1.09204.123276
Car(20:0)CAR 20:0ME636512--10.6456.404276
Car(3:0)CAR 3:0ME636444--2.21218.138576
Car(3:0, 2-CH3)CAR 3:0;2MeME636451--3.04232.154176
Car(4:0)CAR 4:0ME636452--3.12232.154676
Car(4:0,3-CH3)CAR 4:0;3MeME636460--3.89246.169776
Car(4:0-OH)CAR 4:0;OHME636461--1.83248.148076
Car(5:0)CAR 5:0ME636458--3.95246.169676
Car(5:0) isomersCAR 5:0ME636459--3.95246.169676
Car(5:0-OH)CAR 5:0;OHME636467--2.54262.164476
Car(5:1)CAR 5:1ME636454--3.69244.154176
Car(6:0)CAR 6:0ME636464--5.01260.186076
Car(8:0)CAR 8:0ME636476--6.71288.216976
Car(8:0-OH)CAR 8:0;OHME636482--5.6304.211276
Car(8:1)CAR 8:1ME636475--6.02286.200476
cholesterolCholesterolME636498--13.54369.351176
cholineCholineME636414--0.61104.107676
creatineCreatineME636420--0.69132.077276
cytidineCytidineME636453--0.99244.092276
deoxycholateDeoxycholic acidME636503--10.67393.299276
deoxyguanosineDeoxyguanosineME636468--2.41268.104176
DG(18:1_18:1)DG 18:1_18:1ME636537--15.69621.545876
DG(32:0)DG 32:0ME636531--15.16569.514276
DG(32:1)DG 32:1ME636530--14.35567.498576
DG(34:1)DG 34:1ME636535--15.42595.530476
DG(34:2)DG 34:2ME636534--14.66593.515176
DG(36:3)DG 36:3ME636536--14.89619.530776
diethylphthalateDiethyl phthalateME636447--8.26223.096076
FA(12:0-NH2)Aminododecanoic acidME636443--8.04216.195276
FA(16:1)Hexadecenoic acidME636462--11.09255.231676
FA(18:1)Octadecenoic acidME636474--11.62283.262976
gamma-glutamylisoleucinegamma-GlutamylisoleucineME636465--4.01261.143376
gamma-glutamylleucinegamma-GlutamylleucineME636466--4.16261.144076
gamma-glutamyltyrosinegamma-GlutamyltyrosineME636484--3.03311.126276
glucoseGlucoseME636436--0.6181.070776
Glu-PheGlu-PheME636477--4.36295.128176
glutamineGlutamineME636426--0.61147.076376
glycocholateGlycocholic acidME636513--9.56466.315576
GMPGMPME636496--1.18364.064576
guanineGuanineME636429--1.26152.056876
hippurateHippuric acidME636435--4.34180.065376
hypoxanthineHypoxanthineME636424--1.3137.046076
Ile-IleIle-IleME636456--4.62245.185376
Ile-ProIle-ProME636448--1.75229.153776
Ile-ValIle-ValME636450--3.73231.169676
inosineInosineME636469--2.45269.087876
IsoleucineIsoleucineME636421--1.83132.101976
kynurenineKynurenineME636442--2.68209.092176
leucineLeucineME636423--1.95132.102076
leucine+ isoleucineLeucine/IsoleucineME636422--1.95132.101976
Leu-IleLeu-IleME636457--4.84245.188076
Leu-ProLeu-ProME636449--2.01229.154276
LPC(14:0)LPC 14:0ME636514--10.55468.308176
LPC(15:0)LPC 15:0ME636516--10.83482.321476
LPC(16:0)_a_bLPC 16:0ME636519--11.04496.340676
LPC(16:0)_bLPC 16:0ME636520--11.04496.340676
LPC(16:1)_a_bLPC 16:1ME636518--10.72494.323876
LPC(17:0)_a_bLPC 17:0ME636521--11.25510.355276
LPC(18:1)_bLPC 18:1ME636524--11.16522.356276
LPC(18:2)_a_bLPC 18:2ME636522--10.9520.340276
LPC(18:2)_bLPC 18:2ME636523--10.9520.340576
LPC(20:0)LPC 20:0ME636529--11.74552.401976
LPC(20:3)_a_bLPC 20:3ME636527--11.44546.354076
LPC(20:3)_bLPC 20:3ME636528--11.44546.354176
LPC(20:4)_a_bLPC 20:4ME636525--10.81544.340576
LPC(20:4)_bLPC 20:4ME636526--10.91544.340676
LPE(18:0)_bLPE 18:0ME636517--11.44482.324376
LPE(18:2)_bLPE 18:2ME636515--10.81478.292876
lysineLysineME636427--0.52147.112676
methionineMethionineME636428--1.14150.055976
MG(14:0)MG 14:0ME636481--10.98303.251676
MG(16:0)MG 16:0ME636490--11.39331.285076
MG(18:1)_a_bMG 18:1ME636494--11.48357.300176
MG(18:1)_bMG 18:1ME636495--11.48357.300276
monoethylhexyl phthalateMonoethylhexyl phthalic acidME636472--10.27279.158876
N-acetylneuraminateN-Acetylneuraminic acidME636483--0.71310.113276
N-gammaglutamylmethionineN-gamma-GlutamylmethionineME636471--2.83279.100376
niacinamideNiacinamideME636418--1.34123.055676
N-undecanoylglycineNAGly 11:0ME636455--8.44244.190276
oleamideOleamideME636473--11.39282.278476
pantothenatePantothenic acidME636446--3.43220.117876
PC(28:0)PC 28:0ME636539--12.55678.505076
PC(30:0)PC 30:0ME636541--12.94706.538776
PC(32:0)PC 32:0ME636547--13.52734.570876
PC(32:1)PC 32:1ME636546--13.07732.554876
PC(32:2)PC 32:2ME636544--12.74730.537676
PC(33:2)PC 33:2ME636548--12.97744.552276
PC(34:1)PC 34:1ME636552--13.65760.586576
PC(34:2)PC 34:2ME636551--13.25758.570976
PC(34:3)PC 34:3ME636550--12.97756.551776
PC(34:4)PC 34:4ME636549--12.7754.537576
PC(35:2)PC 35:2ME636553--13.55772.585476
PC(36:2)PC 36:2ME636556--13.91786.602176
PC(36:3)PC 36:3ME636555--13.37784.586176
PC(36:4)PC 36:4ME636554--13.17782.571076
PC(38:6)PC 38:6ME636558--13.12806.569876
PC(40:6)PC 40:6ME636562--13.75834.600476
PC(40:8)PC 40:8ME636561--13.3830.567776
phenylalaninePhenylalanineME636431--2.92166.085176
Phe-PhePhe-PheME636486--5.49313.154076
prolineProlineME636416--0.7116.072476
pyridoxaminePyridoxamineME636433--0.54169.094576
pyroglutamatePyroglutamic acidME636419--1.2130.049876
S-allylcysteineS-AllylcysteineME636430--2.41162.058476
Ser-LeuSer-LeuME636445--2.98219.133176
serotoninSerotoninME636434--2.35177.101976
SM(d32:1)SM 32:1;O2ME636538--12.44675.543076
SM(d34:2)SM 34:2;O2ME636540--12.55701.560276
SM(d35:1)SM 35:1;O2ME636542--13.14717.588976
SM(d36:1)SM 36:1;O2ME636545--13.43731.606476
SM(d36:2)SM 36:2;O2ME636543--13.02729.590176
SM(d40:1)SM 40:1;O2ME636557--15.15787.667976
SM(d42:1)SM 42:1;O2ME636560--16.49815.699576
SM(d42:2)SM 42:2;O2ME636559--15.27813.684976
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME636463--0.77258.109876
sphinganine (C16)C16 SphinganineME636470--8.42274.274476
sphinganine (C18)SphinganineME636480--9.68302.304876
sphingosine-1P (C18)Sphingosine 1-phosphateME636501--10.66380.255376
sphingosine (C18)SphingosineME636479--9.54300.289576
tryptophanTryptophanME636441--3.6205.096976
tyrosineTyrosineME636437--1.66182.079276
uracilUracilME636415--1.86113.034576
urateUric acidME636432--1.25169.035276
urocanateUrocanic acidME636425--1.09139.051176
valineValineME636417--1.17118.086476


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