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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
2-acetylpyrrolidine2-AcetylpyrrolidineME625398--4.14114.091576
5'-methylthioadenosine5'-MethylthioadenosineME625450--3.95298.097176
alpha-tocopherolalpha-TocopherolME625481--13.4431.387576
aminobutyrateAminobutyric acidME625395--0.64104.070976
benzylbutylphthalateBenzyl butyl phthalateME625457--10.23313.144276
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME625473--11.9391.284876
Car(10:0)CAR 10:0ME625459--7.92316.248276
Car(10:0-OH)CAR 10:0;OHME625462--7.14332.242776
Car(10:1)CAR 10:1ME625458--7.47314.232476
Car(11:0)CAR 11:0ME625460--8.39330.263576
Car(12:0)CAR 12:0ME625464--8.79344.280376
Car(12:1)CAR 12:1ME625463--8.39342.263776
Car(14:0)CAR 14:0ME625471--9.44372.311976
Car(14:1)CAR 14:1ME625470--9.13370.295976
Car(14:2)CAR 14:2ME625468--8.76368.279476
Car(16:0)CAR 16:0ME625477--9.93400.343476
Car(16:1)CAR 16:1ME625476--9.62398.327776
Car(16:2)CAR 16:2ME625475--9.46396.310876
Car(16:3)CAR 16:3ME625474--9.13394.295776
Car(18:0)CAR 18:0ME625480--10.31428.374976
Car(18:1)CAR 18:1ME625479--10.04426.359076
Car(18:2)CAR 18:2ME625478--9.8424.343276
Car(2:0)CAR 2:0ME625416--1.08204.123576
Car(20:0)CAR 20:0ME625482--10.6456.404676
Car(3:0)CAR 3:0ME625420--2.19218.138876
Car(3:0, 2-CH3)CAR 3:0;2MeME625426--3.03232.154276
Car(4:0)CAR 4:0ME625427--3.1232.154876
Car(4:0,3-CH3)CAR 4:0;3MeME625432--3.87246.170076
Car(4:0-OH)CAR 4:0;OHME625434--1.8248.146576
Car(5:0)CAR 5:0ME625431--3.87246.170076
Car(5:0) isomersCAR 5:0ME625433--3.87246.170076
Car(5:0-OH)CAR 5:0;OHME625440--2.52262.164976
Car(5:1)CAR 5:1ME625429--3.68244.154276
Car(6:0)CAR 6:0ME625437--4.99260.185776
Car(8:0)CAR 8:0ME625448--6.7288.216976
Car(8:0-OH)CAR 8:0;OHME625455--5.59304.211476
Car(8:1)CAR 8:1ME625447--6.02286.200876
Car(9:0)CAR 9:0ME625452--7.36302.232076
cholesterolCholesterolME625469--13.47369.351776
cholineCholineME625396--0.63104.107476
cytidineCytidineME625428--0.99244.092576
deoxyguanosineDeoxyguanosineME625441--2.4268.104576
DG(18:1_18:1)DG 18:1_18:1ME625505--15.63621.547276
DG(32:0)DG 32:0ME625501--15.14569.514576
DG(32:1)DG 32:1ME625500--14.34567.498676
DG(34:1)DG 34:1ME625503--15.38595.531776
DG(34:2)DG 34:2ME625502--14.65593.514476
DG(36:3)DG 36:3ME625504--14.86619.530676
diethylphthalateDiethyl phthalateME625422--8.26223.097176
dimethylglycineDimethylglycineME625394--0.64104.070976
FA(12:0-NH2)Aminododecanoic acidME625419--8.03216.195376
FA(16:1)Hexadecenoic acidME625435--11.1255.231676
FA(18:1)Octadecenoic acidME625446--11.61283.263576
FA(18:2)Octadecadienoic acidME625445--11.35281.247176
gamma-glutamylisoleucinegamma-GlutamylisoleucineME625438--3.99261.143376
gamma-glutamylleucinegamma-GlutamylleucineME625439--4.14261.144076
glucoseGlucoseME625415--0.77181.070376
Glu-PheGlu-PheME625449--4.34295.128376
glutamineGlutamineME625409--0.62147.076376
glycocholateGlycocholic acidME625483--9.55466.316476
GMPGMPME625467--1.25364.065376
guanineGuanineME625411--1.25152.057176
hypoxanthineHypoxanthineME625406--1.32137.046476
Ile-ProIle-ProME625424--1.86229.154476
Ile-ValIle-ValME625425--3.71231.170076
inosineInosineME625442--2.4269.089176
IsoleucineIsoleucineME625403--1.81132.101676
kynurenineKynurenineME625418--2.66209.092376
leucineLeucineME625404--1.94132.101776
leucine+ isoleucineLeucine/IsoleucineME625405--1.94132.101776
Leu-ProLeu-ProME625423--1.73229.152976
LPC(14:0)LPC 14:0ME625484--10.56468.308776
LPC(15:0)LPC 15:0ME625487--10.99482.326076
LPC(16:0)_a_bLPC 16:0ME625489--11.04496.341176
LPC(16:0)_bLPC 16:0ME625490--11.04496.341276
LPC(16:1)_a_bLPC 16:1ME625488--10.73494.325076
LPC(17:0)_a_bLPC 17:0ME625491--11.26510.355076
LPC(18:1)_bLPC 18:1ME625494--11.17522.357176
LPC(18:2)_a_bLPC 18:2ME625493--10.91520.339376
LPC(18:2)_bLPC 18:2ME625492--10.91520.339176
LPC(20:0)LPC 20:0ME625499--11.76552.402776
LPC(20:3)_a_bLPC 20:3ME625498--11.45546.354976
LPC(20:3)_bLPC 20:3ME625497--11.44546.354876
LPC(20:4)_a_bLPC 20:4ME625495--10.9544.341076
LPC(20:4)_bLPC 20:4ME625496--10.91544.341176
LPE(18:0)_bLPE 18:0ME625486--11.43482.324876
LPE(18:2)_bLPE 18:2ME625485--10.8478.293476
methionineMethionineME625410--1.12150.056776
MG(14:0)MG 14:0ME625454--10.98303.249976
MG(16:0)MG 16:0ME625461--11.38331.285476
MG(18:1)_a_bMG 18:1ME625466--11.48357.300676
MG(18:1)_bMG 18:1ME625465--11.48357.300576
monoethylhexyl phthalateMonoethylhexyl phthalic acidME625444--10.28279.159676
N-acetylaspartateN-Acetylaspartic acidME625414--1.13176.055976
N-acetylneuraminateN-Acetylneuraminic acidME625456--0.72310.114176
niacinamideNiacinamideME625401--1.35123.055976
N-undecanoylglycineNAGly 11:0ME625430--8.43244.190576
pantothenatePantothenic acidME625421--3.41220.118376
PC(28:0)PC 28:0ME625508--12.55678.507276
PC(30:0)PC 30:0ME625510--13.02706.540476
PC(32:0)PC 32:0ME625515--13.5734.572476
PC(32:1)PC 32:1ME625514--13.06732.556776
PC(32:2)PC 32:2ME625512--12.75730.539176
PC(33:2)PC 33:2ME625516--12.98744.552076
PC(34:1)PC 34:1ME625521--13.7760.588076
PC(34:2)PC 34:2ME625519--13.26758.571876
PC(34:3)PC 34:3ME625518--12.99756.553676
PC(34:4)PC 34:4ME625517--12.71754.539576
PC(35:2)PC 35:2ME625522--13.47772.587476
PC(36:2)PC 36:2ME625525--13.93786.603076
PC(36:3)PC 36:3ME625524--13.38784.587476
PC(36:4)PC 36:4ME625523--13782.570176
PC(38:6)PC 38:6ME625527--13.09806.572476
PC(40:6)PC 40:6ME625531--13.75834.604076
PC(40:8)PC 40:8ME625530--13.3830.569076
phenylalaninePhenylalanineME625413--2.9166.085276
prolineProlineME625399--0.71116.073576
pyroglutamatePyroglutamic acidME625402--1.19130.050176
S-allylcysteineS-AllylcysteineME625412--2.37162.058576
SM(d32:1)SM 32:1;O2ME625507--12.45675.544676
SM(d32:2)SM 32:2;O2ME625506--12.18673.527976
SM(d34:2)SM 34:2;O2ME625509--12.56701.561076
SM(d36:1)SM 36:1;O2ME625513--13.45731.609076
SM(d36:2)SM 36:2;O2ME625511--13.02729.593176
SM(d38:1)SM 38:1;O2ME625520--14.15759.636676
SM(d40:1)SM 40:1;O2ME625526--15.17787.670076
SM(d42:1)SM 42:1;O2ME625529--16.52815.701276
SM(d42:2)SM 42:2;O2ME625528--15.29813.686576
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME625436--0.64258.111076
spermidineSpermidineME625408--0.47146.165176
sphinganine (C16)C16 SphinganineME625443--8.43274.274376
sphinganine (C18)SphinganineME625453--9.7302.305276
sphingosine-1P (C18)Sphingosine 1-phosphateME625472--10.66380.255976
sphingosine (C18)SphingosineME625451--9.56300.289776
tryptophanTryptophanME625417--3.59205.097176
uracilUracilME625397--1.83113.034676
urocanateUrocanic acidME625407--1.32139.050876
valineValineME625400--0.8118.086376


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