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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-methyladenosine1-MethyladenosineME632365--3.23282.119876
2-acetylpyrrolidine2-AcetylpyrrolidineME632302--4.17114.091776
2-deoxyglucose2-Deoxy-glucoseME632317--0.72165.075876
2-piperidinone2-PiperidinoneME632299--3.05100.074976
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME632329--9.2195.101676
3-indolepropionate3-Indolepropionic acidME632327--6.68190.086376
5'-methylthioadenosine5'-MethylthioadenosineME632372--3.97298.097476
alanineAlanineME632298--0.6990.056776
alpha-tocopherolalpha-TocopherolME632407--13.39431.388376
aminobutyrateAminobutyric acidME632300--0.72104.072676
benzylbutylphthalateBenzyl butyl phthalateME632379--10.23313.144076
biliverdinBiliverdinME632428--9.32583.254776
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME632398--11.9391.285076
Car(10:0)CAR 10:0ME632382--7.96316.248776
Car(10:0-OH)CAR 10:0;OHME632385--7.18332.243276
Car(10:1)CAR 10:1ME632381--7.51314.232876
Car(11:0)CAR 11:0ME632383--8.42330.263976
Car(12:0)CAR 12:0ME632387--8.82344.280276
Car(12:1)CAR 12:1ME632386--8.42342.263876
Car(14:0)CAR 14:0ME632396--9.45372.311776
Car(14:1)CAR 14:1ME632395--9.15370.295576
Car(14:2)CAR 14:2ME632393--8.89368.279476
Car(16:0)CAR 16:0ME632403--9.94400.343376
Car(16:1)CAR 16:1ME632402--9.64398.327476
Car(16:2)CAR 16:2ME632401--9.34396.311276
Car(16:3)CAR 16:3ME632400--9.16394.295576
Car(18:0)CAR 18:0ME632406--10.32428.374676
Car(18:1)CAR 18:1ME632405--10.06426.358876
Car(18:2)CAR 18:2ME632404--9.81424.343576
Car(2:0)CAR 2:0ME632331--1.1204.123976
Car(20:0)CAR 20:0ME632408--10.61456.405276
Car(3:0)CAR 3:0ME632336--2.23218.139476
Car(3:0, 2-CH3)CAR 3:0;2MeME632344--3.06232.154976
Car(4:0)CAR 4:0ME632345--3.14232.155276
Car(4:0,3-CH3)CAR 4:0;3MeME632350--3.91246.170776
Car(4:0-OH)CAR 4:0;OHME632353--1.86248.147476
Car(5:0)CAR 5:0ME632351--3.98246.170776
Car(5:0) isomersCAR 5:0ME632352--3.98246.170776
Car(5:0-OH)CAR 5:0;OHME632359--2.56262.165476
Car(5:1)CAR 5:1ME632347--3.71244.154576
Car(6:0)CAR 6:0ME632356--5.03260.186576
Car(8:0)CAR 8:0ME632369--6.75288.217476
Car(8:0-OH)CAR 8:0;OHME632377--5.63304.211976
Car(8:1)CAR 8:1ME632368--6.05286.201376
Car(9:0)CAR 9:0ME632374--7.24302.232476
carnitineCarnitineME632316--0.79162.110276
cholesterolCholesterolME632394--13.52369.351976
cholineCholineME632301--0.79104.107376
citrateCitric acidME632328--1.25193.035176
cortisolCortisolME632391--7.88363.216276
creatineCreatineME632306--0.7132.076976
cytidineCytidineME632346--1244.092976
deoxycholateDeoxycholic acidME632399--10.61393.301676
deoxyguanosineDeoxyguanosineME632361--2.43268.104976
DG(18:1_18:1)DG 18:1_18:1ME632432--15.62621.545876
DG(32:0)DG 32:0ME632427--15.14569.513976
DG(32:1)DG 32:1ME632426--14.33567.498276
DG(34:1)DG 34:1ME632430--15.38595.530476
DG(34:2)DG 34:2ME632429--14.63593.515376
DG(36:3)DG 36:3ME632431--14.85619.531076
diethylphthalateDiethyl phthalateME632340--8.13223.095076
edetateEdetic acidME632370--0.71293.105876
FA(12:0-NH2)Aminododecanoic acidME632335--8.05216.195776
FA(16:1)Hexadecenoic acidME632354--11.1255.232076
FA(18:1)Octadecenoic acidME632367--11.62283.263476
FA(18:2)Octadecadienoic acidME632364--11.5281.245776
gamma-glutamylisoleucinegamma-GlutamylisoleucineME632357--4.02261.144276
gamma-glutamylleucinegamma-GlutamylleucineME632358--4.18261.144676
gamma-glutamyltyrosinegamma-GlutamyltyrosineME632378--3.14311.124176
glucoseGlucoseME632325--0.65181.071076
Glu-PheGlu-PheME632371--4.38295.128776
glutamineGlutamineME632312--0.62147.076676
glycocholateGlycocholic acidME632409--9.56466.317676
GMPGMPME632392--1.27364.065376
guanineGuanineME632315--1.27152.057076
hippurateHippuric acidME632324--4.35180.065776
hypoxanthineHypoxanthineME632310--1.34137.046576
Ile-ProIle-ProME632341--1.76229.153176
Ile-ValIle-ValME632343--3.69231.170176
indole-3-lactateIndolelactic acidME632333--5.5206.081376
indoleacetateIndoleacetic acidME632322--5.94176.070576
IsoleucineIsoleucineME632307--1.85132.102176
kynurenineKynurenineME632334--2.7209.092276
leucineLeucineME632309--1.97132.102276
leucine+ isoleucineLeucine/IsoleucineME632308--1.97132.102176
Leu-IleLeu-IleME632349--4.65245.186076
Leu-ProLeu-ProME632342--2.1229.154776
LPC(14:0)LPC 14:0ME632410--10.56468.309276
LPC(15:0)LPC 15:0ME632412--10.83482.324376
LPC(16:0)_a_bLPC 16:0ME632415--11.04496.340976
LPC(16:0)_bLPC 16:0ME632416--11.04496.341176
LPC(16:1)_a_bLPC 16:1ME632414--10.75494.325376
LPC(17:0)_a_bLPC 17:0ME632417--11.25510.356576
LPC(18:1)_bLPC 18:1ME632420--11.16522.356876
LPC(18:2)_a_bLPC 18:2ME632418--10.9520.340976
LPC(18:2)_bLPC 18:2ME632419--10.9520.341076
LPC(20:0)LPC 20:0ME632425--11.74552.403176
LPC(20:3)_a_bLPC 20:3ME632423--11.46546.354576
LPC(20:3)_bLPC 20:3ME632424--11.46546.354576
LPC(20:4)_a_bLPC 20:4ME632421--10.91544.341076
LPC(20:4)_bLPC 20:4ME632422--10.91544.341176
LPE(18:0)_bLPE 18:0ME632413--11.45482.324776
LPE(18:2)_bLPE 18:2ME632411--10.82478.293376
lysineLysineME632313--0.52147.112776
methionineMethionineME632314--1.14150.057076
MG(14:0)MG 14:0ME632376--10.99303.252676
MG(16:0)MG 16:0ME632384--11.39331.285276
MG(18:1)_a_bMG 18:1ME632390--11.48357.300876
MG(18:1)_bMG 18:1ME632389--11.48357.300776
monoethylhexyl phthalateMonoethylhexyl phthalic acidME632363--10.22279.159776
N-acetylleucineN-AcetylleucineME632321--5.34174.114976
N-acetylserotoninN-AcetylserotoninME632337--4.66219.113476
niacinamideNiacinamideME632305--1.37123.055976
N-undecanoylglycineNAGly 11:0ME632348--8.44244.190776
oleamideOleamideME632366--11.39282.278676
pantothenatePantothenic acidME632339--3.44220.118176
PC(28:0)PC 28:0ME632435--12.49678.508276
PC(30:0)PC 30:0ME632437--12.92706.539876
PC(32:0)PC 32:0ME632443--13.51734.571376
PC(32:1)PC 32:1ME632442--13.02732.555676
PC(32:2)PC 32:2ME632440--12.74730.539876
PC(33:2)PC 33:2ME632444--12.96744.553476
PC(34:1)PC 34:1ME632449--13.64760.586776
PC(34:2)PC 34:2ME632447--13.24758.571276
PC(34:3)PC 34:3ME632446--12.96756.555076
PC(34:4)PC 34:4ME632445--12.68754.539176
PC(36:2)PC 36:2ME632453--13.88786.602476
PC(36:3)PC 36:3ME632451--13.35784.586876
PC(36:4)PC 36:4ME632450--13.14782.571176
PC(38:6)PC 38:6ME632455--13.11806.571076
PC(40:6)PC 40:6ME632458--13.72834.602576
PC(40:8)PC 40:8ME632457--13.28830.568576
phenylalaninePhenylalanineME632318--2.94166.081976
Phe-PhePhe-PheME632380--5.53313.155076
Phe-TrpPhe-TrpME632388--5.46352.165476
phosphoserinePhosphoserineME632326--0.65186.014976
prolineProlineME632303--0.71116.072376
Pro-PhePro-PheME632360--4.61263.141276
pyridoxaminePyridoxamineME632320--0.54169.094776
Ser-LeuSer-LeuME632338--3219.132576
serotoninSerotoninME632323--2.38177.102176
SM(d32:1)SM 32:1;O2ME632434--12.43675.543276
SM(d32:2)SM 32:2;O2ME632433--12.17673.526576
SM(d34:2)SM 34:2;O2ME632436--12.53701.560676
SM(d35:1)SM 35:1;O2ME632438--13.12717.589376
SM(d36:1)SM 36:1;O2ME632441--13.4731.606876
SM(d36:2)SM 36:2;O2ME632439--13729.590576
SM(d38:1)SM 38:1;O2ME632448--14.14759.637176
SM(d40:1)SM 40:1;O2ME632454--15.11787.669176
SM(d40:2)SM 40:2;O2ME632452--14.25785.652576
SM(d42:2)SM 42:2;O2ME632456--15.22813.685276
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME632355--0.63258.110976
spermidineSpermidineME632311--0.5146.165276
spermineSpermineME632330--0.5203.223176
sphinganine (C16)C16 SphinganineME632362--8.45274.275076
sphinganine (C18)SphinganineME632375--9.71302.306176
sphingosine-1P (C18)Sphingosine 1-phosphateME632397--10.67380.256576
sphingosine (C18)SphingosineME632373--9.57300.290676
tryptophanTryptophanME632332--3.62205.097676
urateUric acidME632319--1.26169.035976
valineValineME632304--0.78118.086676


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