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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
25-hydroxy-cholesterol25-HydroxycholesterolME629610--12.43385.348876
2-piperidinone2-PiperidinoneME629500--3.05100.075076
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME629539--9.2195.101576
3-indolepropionate3-Indolepropionic acidME629536--6.67190.086076
5'-methylthioadenosine5'-MethylthioadenosineME629583--3.95298.097176
adipateAdipic acidME629517--3.61147.058676
Ala-LeuAla-LeuME629541--2.57203.139176
alpha-tocopherolalpha-TocopherolME629620--13.39431.387776
aminobutyrateAminobutyric acidME629501--0.71104.072676
azelaateAzelaic acidME629534--6.58189.111376
benzylbutylphthalateBenzyl butyl phthalateME629592--10.23313.143676
biliverdinBiliverdinME629637--9.19583.255976
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME629611--11.9391.284776
caffeineCaffeineME629538--4.76195.091276
Car(10:0)CAR 10:0ME629595--7.98316.248476
Car(10:0-OH)CAR 10:0;OHME629598--7.19332.242676
Car(10:1)CAR 10:1ME629594--7.52314.232276
Car(11:0)CAR 11:0ME629596--8.45330.263376
Car(12:0)CAR 12:0ME629600--8.85344.280176
Car(12:1)CAR 12:1ME629599--8.4342.263576
Car(14:0)CAR 14:0ME629608--9.5372.311676
Car(14:1)CAR 14:1ME629607--9.19370.295676
Car(14:2)CAR 14:2ME629605--8.82368.279776
Car(16:0)CAR 16:0ME629616--9.99400.342976
Car(16:1)CAR 16:1ME629615--9.69398.327376
Car(16:2)CAR 16:2ME629614--9.38396.311576
Car(16:3)CAR 16:3ME629613--9.2394.295176
Car(18:0)CAR 18:0ME629619--10.36428.374276
Car(18:1)CAR 18:1ME629618--10.1426.358676
Car(18:2)CAR 18:2ME629617--9.85424.343176
Car(2:0)CAR 2:0ME629543--1.09204.123776
Car(20:0)CAR 20:0ME629621--10.65456.405376
Car(3:0)CAR 3:0ME629546--2.21218.139276
Car(3:0, 2-CH3)CAR 3:0;2MeME629553--3.05232.154676
Car(4:0)CAR 4:0ME629554--3.12232.154976
Car(4:0,3-CH3)CAR 4:0;3MeME629563--3.9246.170576
Car(4:0-OH)CAR 4:0;OHME629564--1.84248.146476
Car(5:0)CAR 5:0ME629562--3.96246.170376
Car(5:0) isomersCAR 5:0ME629561--3.96246.170376
Car(5:0-OH)CAR 5:0;OHME629571--2.43262.164976
Car(5:1)CAR 5:1ME629556--3.7244.154276
Car(6:0)CAR 6:0ME629568--5.02260.186376
Car(8:0)CAR 8:0ME629581--6.75288.217176
Car(8:0-OH)CAR 8:0;OHME629588--5.62304.211776
Car(8:1)CAR 8:1ME629580--6286.200876
Car(9:0)CAR 9:0ME629585--7.26302.232076
carnitineCarnitineME629525--0.64162.105876
cholesterolCholesterolME629606--13.5369.351776
cholineCholineME629503--0.62104.107676
citrateCitric acidME629537--1.25193.034476
cortisolCortisolME629603--7.62363.215576
creatineCreatineME629509--0.69132.077476
cytidineCytidineME629555--0.99244.092376
deoxycholateDeoxycholic acidME629612--10.61393.299476
deoxyguanosineDeoxyguanosineME629572--2.42268.104476
DG(32:0)DG 32:0ME629636--15.12569.514276
DG(32:1)DG 32:1ME629635--14.31567.498876
DG(34:1)DG 34:1ME629640--15.36595.530776
DG(34:2)DG 34:2ME629638--14.62593.515376
DG(36:2)DG(18:1_18:1_0:0)DG 18:1_18:1ME629642--15.61621.546276
DG(36:3)DG 36:3ME629641--14.84619.530876
diethylphthalateDiethyl phthalateME629549--8.27223.098176
dimethylglycineDimethylglycineME629502--0.71104.072776
dUMPdUMPME629589--1.03309.049576
FA(12:0-NH2)Aminododecanoic acidME629545--8.04216.195276
FA(16:1)Hexadecenoic acidME629565--11.1255.231676
FA(18:1)Octadecenoic acidME629579--11.48283.265876
FA(18:2)Octadecadienoic acidME629577--11.51281.243676
FA(8:0, 2-NH2)2-Aminocaprylic acidME629523--5.04160.133376
gamma-glutamylisoleucinegamma-GlutamylisoleucineME629569--4.02261.142476
gamma-glutamylleucinegamma-GlutamylleucineME629570--4.17261.144876
gamma-glutamyltyrosinegamma-GlutamyltyrosineME629591--3.14311.123576
glucoseGlucoseME629533--0.61181.070776
Glu-PheGlu-PheME629582--4.37295.128776
glutamineGlutamineME629518--0.62147.076576
glycocholateGlycocholic acidME629622--9.56466.316876
GMPGMPME629604--1.26364.065476
guanineGuanineME629522--0.93152.057076
hippurateHippuric acidME629532--4.35180.065876
hypoxanthineHypoxanthineME629514--1.35137.046476
Ile-IleIle-IleME629559--4.63245.185576
Ile-ProIle-ProME629550--1.89229.152176
Ile-ValIle-ValME629552--3.49231.169876
indoleacetateIndoleacetic acidME629530--5.93176.070576
inosineInosineME629573--2.47269.089276
IsoleucineIsoleucineME629510--1.84132.101876
leucineLeucineME629512--1.95132.102176
leucine+ isoleucineLeucine/IsoleucineME629511--1.84132.101876
Leu-IleLeu-IleME629560--4.86245.187776
Leu-ProLeu-ProME629551--2.09229.154376
lysineLysineME629519--0.52147.112676
methionineMethionineME629521--1.14150.055976
MG(14:0_0:0_0:0)MG 14:0ME629587--10.98303.252276
MG(16:0_0:0_0:0)MG 16:0ME629597--11.38331.285076
MG(18:1_0:0_0:0)MG 18:1ME629602--11.48357.300876
monoethylhexyl phthalateMonoethylhexyl phthalic acidME629576--10.23279.159076
N-acetylleucineN-AcetylleucineME629528--5.43174.112776
N-acetyllysineN(2)-AcetyllysineME629535--2.38189.123876
N-acetylneuraminateN-Acetylneuraminic acidME629590--1.01310.112676
N-acetylserineN-AcetylserineME629520--0.93148.060676
N-gammaglutamylmethionineN-gamma-GlutamylmethionineME629575--2.84279.100776
niacinamideNiacinamideME629507--1.36123.055976
N-lauroylglycineNAGly 12:0ME629567--9.23258.206476
N-undecanoylglycineNAGly 11:0ME629557--8.44244.190376
oleamideOleamideME629578--11.38282.278476
OrnithineOrnithineME629513--0.69133.098276
pantothenatePantothenic acidME629548--3.43220.118576
PC(14:0)PC(14:0_0:0)LPC 14:0ME629623--10.56468.308876
PC(15:0)PC(15:0_0:0)LPC 15:0ME629625--10.83482.323776
PC(16:0)PC(16:0_0:0)LPC 16:0ME629628--11.03496.340876
PC(16:1)PC(16:1_0:0)LPC 16:1ME629627--10.73494.324776
PC(17:0)PC(17:0_0:0)LPC 17:0ME629629--11.25510.356376
PC(18:1)PC(18:1_0:0)LPC 18:1ME629631--11.16522.356576
PC(18:2)PC(18:2_0:0)LPC 18:2ME629630--10.9520.340676
PC(20:0)PC(20:0_0:0)LPC 20:0ME629634--11.73552.402776
PC(20:3)PC(20:3_0:0)LPC 20:3ME629633--11.45546.354376
PC(20:4)PC(20:4_0:0)LPC 20:4ME629632--10.91544.340876
PC(28:0)PC 28:0ME629645--12.53678.505376
PC(30:0)PC 30:0ME629647--12.99706.537676
PC(32:0)PC 32:0ME629654--13.48734.571076
PC(32:1)PC 32:1ME629653--13.04732.555376
PC(32:2)PC 32:2ME629651--12.72730.538776
PC(33:2)PC 33:2ME629655--12.95744.551676
PC(34:1)PC 34:1ME629659--13.61760.586676
PC(34:2)PC 34:2ME629658--13.24758.570976
PC(34:3)PC 34:3ME629657--12.81756.554176
PC(34:4)PC 34:4ME629656--12.68754.539076
PC(35:2)PC 35:2ME629660--13.51772.589576
PC(36:2)PC 36:2ME629664--13.86786.602276
PC(36:3)PC 36:3ME629663--13.34784.586576
PC(36:4)PC 36:4ME629662--13.13782.571176
PC(38:6)PC 38:6ME629666--13.08806.570976
PC(40:6)PC 40:6ME629670--13.7834.602276
PC(40:8)PC 40:8ME629669--13.28830.567176
PE(18:0)PE(18:0_0:0)LPE 18:0ME629626--11.44482.324376
PE(18:2)PE(18:2_0:0)LPE 18:2ME629624--10.93478.293476
Phe-PhePhe-PheME629593--5.52313.154876
Phe-TrpPhe-TrpME629601--5.45352.165076
prolineProlineME629505--0.71116.071876
pyridoxaminePyridoxamineME629527--0.55169.094576
pyroglutamatePyroglutamic acidME629508--1.49130.050076
S-allylcysteineS-AllylcysteineME629524--2.42162.058976
sebacateSebacic acidME629540--7.68203.127976
Ser-LeuSer-LeuME629547--2.83219.133876
serotoninSerotoninME629531--2.36177.099176
SM(d32:1)SM 32:1;O2ME629644--12.42675.543276
SM(d32:2)SM 32:2;O2ME629643--12.16673.524776
SM(d34:2)SM 34:2;O2ME629646--12.53701.560476
SM(d35:1)SM 35:1;O2ME629648--13.11717.589776
SM(d36:1)SM 36:1;O2ME629652--13.39731.606276
SM(d36:2)SM 36:2;O2ME629650--12.99729.590276
SM(d36:3)SM 36:3;O2ME629649--12.62727.570276
SM(d40:1)SM 40:1;O2ME629665--15.09787.667976
SM(d42:1)SM 42:1;O2ME629668--16.38815.700076
SM(d42:2)SM 42:2;O2ME629667--15.21813.684876
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME629566--0.63258.110876
spermidineSpermidineME629516--0.49146.165176
spermineSpermineME629542--0.47203.222876
sphinganine (C16)C16 SphinganineME629574--8.52274.274576
sphinganine (C18)SphinganineME629586--9.81302.305176
sphingosine-1P (C18)Sphingosine 1-phosphateME629609--10.66380.255976
sphingosine (C18)SphingosineME629584--9.67300.290076
suberateSuberic acidME629529--5.84175.097276
thyroxineThyroxineME629661--8.46777.690876
tryptophanTryptophanME629544--3.61205.097376
uracilUracilME629504--1.87113.034576
urateUric acidME629526--1.25169.035876
uridineUridineME629558--1.88245.075776
urobilinL-UrobilinME629639--7.1595.343776
urocanateUrocanic acidME629515--1.35139.050776
valineValineME629506--0.81118.086776


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