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Analysis: HILIC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CyclohexylamineCyclohexylamineME1002899--6.58100.1118
CadaverineCadaverineME1002923--9.34103.1228
gamma-Aminobutyric acidgamma-Aminobutyric acidME1002924--7.42104.07040000000001
SerineSerineME1002797--7.89106.0497
CytosineCytosineME1002758--6.39112.05029999999999
HistamineHistamineME1002896--9.26112.08669999999999
CreatinineCreatinineME1002902--6.67114.066
ProlineProlineME1002794--8.2799999999999994116.0703
Guanidoacetic acidGuanidoacetic acidME1002773--8.0500000000000007118.0609
BetaineBetaineME1002764--9.1199999999999992118.0859
ThreonineThreonineME1002799--7.81120.06529999999999
NiacinamideNiacinamideME1002910--3.75123.0551
Nicotinic acidNicotinic acidME1002912--3.72124.0391
TaurineTaurineME1002895--6.37126.0218
5-Methylcytosine5-MethylcytosineME1002757--6.24126.0659
Valine-d8 [iSTD]StandardME1002734--7.6126.13630000000001
Nor-psi-tropineNor-psi-tropineME1002737--7.89128.10679999999999
Pyroglutamic acidPyroglutamic acidME1002915--6.61130.0497
Pipecolic acidPipecolic acidME1002793--8.1300000000000008130.08609999999999
N-AcetylputrescineN-AcetylputrescineME1002893--8.0299999999999994131.11770000000001
AgmatineAgmatineME1002900--9.2100000000000009131.12899999999999
HydroxyprolineHydroxyprolineME1002776--8.08132.06540000000001
CreatineCreatineME1002767--8.48132.07660000000001
IsoleucineIsoleucineME1002777--7.24132.10169999999999
OrnithineOrnithineME1002790--9.39133.09700000000001
3-hydroxynorvaline3-HydroxynorvalineME1002921--7.68134.08099999999999
TrigonellineTrigonellineME1002913--9.0299999999999994138.0548
TyramineTyramineME1002739--6.46138.09119999999999
Urocanic acidUrocanic acidME1002905--4.6399999999999997139.05000000000001
Imidazolepropionic acidImidazolepropionic acidME1002904--7.61141.06569999999999
EctoineEctoineME1002754--9.06143.0814
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME1002918--2.64144.04769999999999
Proline betaineProline betaineME1002795--9.36144.1018
N-AcetylcadaverineN-AcetylcadaverineME1002892--7.88145.13339999999999
indole-4-carboxaldehydeIndole-4-carboxaldehydeME1002922--1.78146.0599
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME1002760--7.38146.09229999999999
3-Dehydroxycarnitine3-DehydroxycarnitineME1002928--8.83146.1174
GlutamineGlutamineME1002771--8.23147.0763
LysineLysineME1002778--9.5147.11269999999999
Glutamic acidGlutamic acidME1002770--7.84148.06030000000001
N-AcetylserineN-AcetylserineME1002789--5.78148.06030000000001
MethionineMethionineME1002779--7.2150.0583
XanthineXanthineME1002752--3.82153.04060000000001
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME1002911--4.33153.0658
FAPy-adenineFAPy-adenineME1002753--6.45154.07230000000001
N-AcetylhistamineN-AcetylhistamineME1002897--7.84154.09739999999999
HistidineHistidineME1002774--9.25156.07669999999999
TryptamineTryptamineME1002907--6.28161.10720000000001
N(6)-MethyllysineN(6)-MethyllysineME1002782--9.8000000000000007161.1284
CarnitineCarnitineME1002898--8.91162.1123
PterinPterinME1002909--4.91164.0566
Methionine sulfoxideMethionine sulfoxideME1002780--8.7899999999999991166.0532
1-Methylguanine1-MethylguanineME1002742--5.44166.07230000000001
7-Methylguanine7-MethylguanineME1002743--5.96166.07230000000001
PhenylalaninePhenylalanineME1002792--6.87166.08619999999999
3-Methoxyanthranilic acid3-Methoxyanthranilic acidME1002740--1.68168.06540000000001
PyridoxaminePyridoxamineME1002914--9169.09710000000001
3-Methylhistidine3-MethylhistidineME1002759--9.91170.0924
Pro-GlyPro-GlyME1002853--8.61173.09200000000001
Gly-ProGly-ProME1002818--8.85173.09209999999999
Phenylalanine-d8 [iSTD]StandardME1002733--6.89174.13640000000001
Gly-ValGly-ValME1002819--7.77175.10769999999999
N-AcetylornithineN-AcetylornithineME1002788--8.5500000000000007175.10769999999999
Val-GlyVal-GlyME1002881--7.92175.10769999999999
ArginineArginineME1002763--9.26175.11879999999999
N(6),N(6)-Dimethyl-lysineN(6),N(6)-Dimethyl-lysineME1002781--10.36175.14410000000001
Indoleacetic acidIndoleacetic acidME1002906--1.73176.07050000000001
CitrullineCitrullineME1002766--8.52176.10300000000001
SerotoninSerotoninME1002919--6.61177.10220000000001
(R)-Salsolinol(R)-SalsolinolME1002917--6.59180.1019
TyrosineTyrosineME1002801--6.99182.0812
HarmanHarmanME1002736--6.16183.0917
Pro-AlaPro-AlaME1002852--8.48187.10769999999999
N1-AcetylspermidineN1-AcetylspermidineME1002891--9.86188.17580000000001
N-AcetylglutamineN-AcetylglutamineME1002786--7.23189.08690000000001
Leu-GlyLeu-GlyME1002833--7.65189.1234
N6-AcetyllysineN6-AcetyllysineME1002783--8.5189.1234
TarginineTarginineME1002798--9.4499999999999993189.13460000000001
Kynurenic acidKynurenic acidME1002916--5.47190.04990000000001
N-Acetylglutamic acidN-Acetylglutamic acidME1002785--4.6500000000000004190.071
HomocitrullineHomocitrullineME1002775--8.39190.11859999999999
Thr-AlaThr-AlaME1002864--8.1300000000000008191.1026
2-Oxindole-3-acetate2-Oxindole-3-acetateME1002908--1.89192.06549999999999
Cotinine N-oxideCotinine N-oxideME1002735--6.9193.09710000000001
Ser-ProSer-ProME1002860--8.6203.1027
N-AcetylisoputreanineN-AcetylisoputreanineME1002787--8.15203.13900000000001
Ile-AlaIle-AlaME1002825--7.54203.13910000000001
DimethylarginineDimethylarginineME1002769--9.83203.15029999999999
Gly-GlnGly-GlnME1002817--8.6999999999999993204.09790000000001
CAR 2:0CAR 2:0ME1002929--8.75204.12309999999999
Glu-GlyGlu-GlyME1002815--8.1999999999999993205.08189999999999
TryptophanTryptophanME1002800--6.68205.09719999999999
Ser-ValSer-ValME1002863--7.67205.1183
Val-SerVal-SerME1002885--7.89205.1183
Thr-SerThr-SerME1002867--8.1207.0976
Pro-ProPro-ProME1002855--8.91213.1234
TetradecylamineTetradecylamineME1002927--6.02214.25299999999999
Val-ProVal-ProME1002884--7.91215.13910000000001
Pro-ThrPro-ThrME1002856--8.4499999999999993217.1183
N-AcetylarginineN-AcetylarginineME1002784--8.2799999999999994217.12960000000001
Glu-AlaGlu-AlaME1002813--7.93219.0976
Ile-SerIle-SerME1002830--7.65219.13399999999999
Pantothenic acidPantothenic acidME1002791--3.04220.11799999999999
Ala-MetAla-MetME1002802--7.6221.09549999999999
Thr-ThrThr-ThrME1002868--8.01221.11320000000001
Phe-GlyPhe-GlyME1002844--7.45223.1078
CarnosineCarnosineME1002888--9.43227.1139
Myristoleic acidMyristoleic acidME1002925--1.66227.20060000000001
Ile-ProIle-ProME1002829--7.65229.15469999999999
Asp-ProAsp-ProME1002811--8.7100000000000009231.0977
Ile-ValIle-ValME1002832--6.98231.1703
Asn-ValAsn-ValME1002809--7.87232.1292
Gly-ArgGly-ArgME1002816--9.67232.1405
Val-AspVal-AspME1002880--7.68233.11320000000001
Ile-ThrIle-ThrME1002831--7.58233.14959999999999
Ser-LysSer-LysME1002858--9.66234.14490000000001
Ser-MetSer-MetME1002859--7.58237.09039999999999
CystineCystineME1002768--9.19241.03120000000001
AnserineAnserineME1002887--10.59241.12950000000001
CytidineCytidineME1002756--6.12244.09280000000001
BiotinBiotinME1002903--3.84245.09549999999999
Asn-IleAsn-IleME1002807--7.61246.14490000000001
CAR 5:0CAR 5:0ME1002931--7.88246.17
Lys-ValLys-ValME1002839--9.36246.18119999999999
Thr-GlnThr-GlnME1002866--8.41248.1241
CAR 4:0;OHCAR 4:0;OHME1002930--8.93248.14930000000001
Met-ThrMet-ThrME1002841--7.52251.10599999999999
Phe-SerPhe-SerME1002848--7.4253.1183
His-ProHis-ProME1002822--10.16253.12960000000001
Val-HisVal-HisME1002882--9.4700000000000006255.14519999999999
His-ThrHis-ThrME1002823--9.34257.12450000000001
5-Methylcytidine5-MethylcytidineME1002755--5.96258.10849999999999
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME1002894--10.61258.11
Ile-LysIle-LysME1002827--9.2899999999999991260.19690000000003
Lys-IleLys-IleME1002836--9.0399999999999991260.19690000000003
Ile-GluIle-GluME1002826--7.55261.14460000000003
Asn-LysAsn-LysME1002808--9.89261.1558
Asp-GlnAsp-GlnME1002810--8.64262.10340000000002
Trp-GlyTrp-GlyME1002871--7.28262.11860000000001
Ser-ArgSer-ArgME1002857--9.44262.15100000000001
Pro-PhePro-PheME1002854--7.56263.13909999999998
Ile-MetIle-MetME1002828--6.98263.14240000000001
Met-IleMet-IleME1002840--6.68263.14240000000001
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME1002762--4.7300000000000004265.11829999999998
Val-PheVal-PheME1002883--6.9265.15469999999999
Phe-ThrPhe-ThrME1002849--7.38267.13400000000001
AdenosineAdenosineME1002746--5.17268.10399999999998
InosineInosineME1002748--5.0999999999999996269.0881
Ser-TyrSer-TyrME1002862--7.38269.11320000000001
His-LeuHis-LeuME1002820--8.7899999999999991269.16079999999999
Leu-HisLeu-HisME1002834--9.19269.16079999999999
Arg-ProArg-ProME1002804--10.029999999999999272.17180000000002
Lys-GlnLys-GlnME1002835--9.83275.17149999999998
Glu-GlnGlu-GlnME1002814--8.3800000000000008276.11900000000003
Ala-TrpAla-TrpME1002803--7.13276.13440000000003
Thr-ArgThr-ArgME1002865--9.42276.16649999999998
Lys-MetLys-MetME1002837--9.32278.1533
Phe-LeuPhe-LeuME1002846--6.63279.17039999999997
Tyr-ValTyr-ValME1002879--6.75281.14960000000002
Thr-TyrThr-TyrME1002869--7.3283.12889999999999
GuanosineGuanosineME1002747--5.51284.09890000000001
StearamideStearamideME1002926--1.69284.29480000000001
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME1002890--10.33287.24419999999998
Asn-ArgAsn-ArgME1002806--9.6999999999999993289.16199999999998
Ser-TrpSer-TrpME1002861--7.24292.12920000000003
Gln-PheGln-PheME1002812--7.57294.14479999999998
Lys-PheLys-PheME1002838--9.07294.18119999999999
Phe-GluPhe-GluME1002843--7.64295.12889999999999
5'-Methylthioadenosine5'-MethylthioadenosineME1002745--4.3600000000000003298.09679999999997
2-Methylguanosine2-MethylguanosineME1002744--5.49298.11450000000002
His-PheHis-PheME1002821--8.5303.14519999999999
Phe-HisPhe-HisME1002845--9303.14530000000002
Trp-ValTrp-ValME1002874--6.53304.16559999999998
Val-TrpVal-TrpME1002886--6.65304.16559999999998
GlutathioneGlutathioneME1002889--8.0399999999999991308.09109999999998
Tyr-LysTyr-LysME1002875--8.92310.17619999999999
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME1002749--5.56312.1302
Tyr-MetTyr-MetME1002876--6.84313.1216
Phe-PhePhe-PheME1002847--6.37313.15469999999999
Trp-IleTrp-IleME1002872--6.32318.18119999999999
His-TyrHis-TyrME1002824--8.5500000000000007319.14010000000002
Phe-ArgPhe-ArgME1002842--8.8800000000000008322.18740000000003
Phe-TyrPhe-TyrME1002851--6.46329.14940000000001
3',5' cyclic AMP3',5' cyclic AMPME1002750--6.99330.05970000000002
Trp-GlnTrp-GlnME1002870--7.32333.15570000000002
Trp-MetTrp-MetME1002873--6.54336.13749999999999
MaltoseMaltoseME1002741--6.47343.12329999999997
Tyr-TyrTyr-TyrME1002878--6.54345.14440000000002
3',5' cyclic GMP3',5' cyclic GMPME1002751--7.1346.05450000000002
Phe-TrpPhe-TrpME1002850--6.31352.16539999999998
Arg-TrpArg-TrpME1002805--8.66361.19799999999998
C-GlycosyltryptophanC-GlycosyltryptophanME1002765--6.85367.1497
Tyr-TrpTyr-TrpME1002877--6.29368.16030000000001
Glycocholic acidGlycocholic acidME1002920--5.49466.31599999999997
LoperamideLoperamideME1002738--5.93477.23059999999998
MethylguanidineMethylguanidineME1002901--6.9474.070999999999998
GlycineGlycineME1002772--8.130000000000000876.039100000000005
AlanineAlanineME1002761--890.0548
SarcosineSarcosineME1002796--8.4890.0548


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Palmitoyl-EAPalmitoyl-EAME1002937--5.0199999999999996300.28989999999999
LPE 20:0LPE 20:0ME1002934--5.15510.35559999999998
LPC 20:2LPC 20:2ME1002933--5.15548.36900000000003
DG 30:0_NH4DG 30:0ME1002958--8.81558.50909999999999
DG 30:0DG 30:0ME1002938--8.81563.46460000000002
DG 32:1_NH4DG 32:1ME1002960--8.9499999999999993584.52480000000003
DG 32:0_NH4DG 32:0ME1002959--9.27586.54039999999998
DG 32:2DG 32:2ME1002941--8.64587.46450000000004
DG 32:1DG 32:1ME1002940--8.9499999999999993589.48019999999997
DG 32:0DG 32:0ME1002939--9.26591.49590000000001
DG 34:2_NH4DG 34:2ME1002963--9.08610.54039999999998
DG 34:1_NH4DG 34:1ME1002962--9.3800000000000008612.55600000000004
DG 34:0_NH4DG 34:0ME1002961--9.68614.57169999999996
DG 34:2DG 34:2ME1002944--9.08615.49580000000003
DG 34:1DG 34:1ME1002943--9.3800000000000008617.51130000000001
DG 34:0DG 34:0ME1002942--9.65619.52700000000004
PC 12:0/12:0 [iSTD]StandardME1002932--6.6622.44420000000002
DG 36:2_NH4DG 36:2ME1002966--9.49638.57159999999999
DG 36:1_NH4DG 36:1ME1002965--9.7799999999999994640.58730000000003
DG 36:0_NH4DG 36:0ME1002964--10.029999999999999642.60299999999995
DG 36:2DG 36:2ME1002947--9.49643.52700000000004
DG 36:1DG 36:1ME1002946--9.7799999999999994645.54269999999997
DG 36:0DG 36:0ME1002945--10.02647.55830000000003
DG 38:5DG 38:5ME1002948--9665.50649999999996
PE 34:2PE 34:2ME1002935--8.76716.52269999999999
PE 36:2PE 36:2ME1002936--9.1199999999999992744.55349999999999
TG 45:1TG 45:1ME1002949--11.17785.6626
TG 46:2TG 46:2ME1002951--11.14797.6626
TG 46:0TG 46:0ME1002950--11.5801.69380000000001
TG 47:0_NH4TG 47:0ME1002967--11.64810.75409999999999
TG 47:2TG 47:2ME1002953--11.28811.67830000000004
TG 47:0TG 47:0ME1002952--11.63815.70950000000005
TG 48:1TG 48:1ME1002954--11.6827.70950000000005
TG 49:2TG 49:2ME1002955--11.56839.70950000000005
TG 54:6TG 54:6ME1002957--11.39901.7251
TG 54:2TG 54:2ME1002956--12.28909.78779999999995


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Isovaleric acid/Valeric acid-ME1003024--3.5226500000000001101.06065510000001
2-Aminobutyric acid2-Aminobutyric acidME1002971--2.9752666670000001102.0560122
Malonic acidMalonic acidME1003028--6.89103.00368
2-Hydroxybutyric acid/3-Hydroxybutyric acid-ME1002975--3.71103.04007
Glyceric acidGlyceric acidME1003012--4.2300000000000004105.01933
UracilUracilME1003055--1.5111.02
Fumaric acid/Maleic acid-ME1003006--6.84115.00368
Succinic acidSuccinic acidME1003049--6.7918500000000002117.01929560000001
2-Hydroxy-3-methylbutyric acid/3-Hydroxyisovaleric...-ME1002973--3.4219333330000001117.0556869
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME1002985--2.33121.0295
Benzoic acidBenzoic acidME1002996--4121.0295
ThreitolThreitolME1003053--1.52121.05063
Nicotinic acidNicotinic acidME1003032--4122.02475
ThymineThymineME1003054--1.270566667125.0356275
Itaconic acidItaconic acidME1003025--7.05129.01933
Mesaconic acidMesaconic acidME1003029--6.85129.01933
3-Methyl-2-oxovaleric acid/Ketoleucine-ME1002982--3.23129.05572000000001
Thymine-d4 [iSTD]StandardME1002968--1.318733333129.06075490000001
2-Hydroxy-3-methyl-pentanoic acid/2-Hydroxyisocapr...-ME1002974--3.404416667131.07134099999999
Aspartic acidAspartic acidME1002995--5.0584833329999999132.03018539999999
Malic acidMalic acidME1003027--6.84133.01425
AdenineAdenineME1002988--2.1857833329999998134.0471852
Erythronic acid/Threonic acid-ME1003004--4.22135.0299
HypoxanthineHypoxanthineME1003020--3.097883333135.0312279
Phenylacetic acidPhenylacetic acidME1003040--3.79135.04515000000001
2-Aminoheptanoic acid2-Aminoheptanoic acidME1002972--2.3841000000000001144.10300319999999
Oxoglutaric acid2-Oxoglutaric acidME1003037--8.15145.01425
Adipic acid/Methylglutaric acid-ME1002990--6.64145.05063000000001
Glutamic acidGlutamic acidME1003010--4.9840499999999999146.04584639999999
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME1002976--6.85147.0299
GuanineGuanineME1003014--2.76150.04212999999999
XanthineXanthineME1003058--4.785716667151.0261055
Adonitol/Arabitol-ME1002991--1.6865666669999999151.06119839999999
Gentisic acidGentisic acidME1003008--4.6500000000000004153.01933
Orotic acidOrotic acidME1003034--4.4400000000000004155.00982999999999
3-Methyladipic acid/Pimelic acid-ME1002983--6.46159.06628000000001
Aminoadipic acidAminoadipic acidME1002993--5.16160.06153
Glucosan/3-Hydroxymethylglutaric acid-ME1003009--6.61161.04554999999999
3-(3-Hydroxyphenyl)propanoic acid3-(3-Hydroxyphenyl)propanoic acidME1002979--4.46165.05572000000001
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME1003041--9.52166.9751
Uric acidUric acidME1003056--5.05167.02106000000001
NorepinephrineNorepinephrineME1003033--2.1025833330000001168.06669249999999
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME1003047--7.1602666670000001171.00645
cis-Aconitic acidcis-Aconitic acidME1002998--8.89173.00916000000001
Ne-Ne dimethyllysine-ME1003031--6.5173.12954999999999
2-Isopropylmalic acid2-Isopropylmalic acidME1002977--6.93175.06120000000001
Hippuric acidHippuric acidME1003018--3.86178.05097000000001
Myo-inositolMyo-inositolME1003030--2.5373666670000001179.0561639
Fructose/Glucose/GalactoseHexoseME1003005--2.093816667179.05616710000001
Homovanillic acidHomovanillic acidME1003019--4.3899999999999997181.05063000000001
SorbitolSorbitolME1003048--1.98181.07176000000001
4-Pyridoxic acid4-Pyridoxic acidME1002986--3.57182.04588000000001
2-Phosphoglyceric acid2-Phosphoglyceric acidME1002978--9.2200000000000006184.98566
3-Phosphoglyceric acid3-Phosphoglyceric acidME1002984--9.0500000000000007184.98566
3-Indolepropionic acid3-Indolepropionic acidME1002981--4.51188.07169999999999
Citric acid/Isocitric acidCitric acid/Isocitric acidME1002999--8.8853666669999996191.0197872
Quinic acidQuinic acidME1003044--4.3191.05610999999999
Sebacic acidSebacic acidME1003046--6.5947833329999996201.11339770000001
Indolelactic acidIndolelactic acidME1003022--4.43204.06662
Pantothenic acidPantothenic acidME1003038--3.8510833330000001218.10332600000001
CystathionineCystathionineME1003001--5.2261499999999996221.0601188
Pentose 5-phosphatePentose 5-phosphateME1003039--7.22229.01187999999999
Tetrahydroharman-3-carboxylic acidTetrahydroharman-3-carboxylic acidME1003052--3.7229.09825000000001
CytidineCytidineME1003002--2.11242.07823999999999
PseudouridinePseudouridineME1003043--2.2400000000000002243.06226000000001
UridineUridineME1003057--1.71243.06226000000001
Hexose monophosphateFructose 6-phosphateME1003017--7.16259.02244000000002
InosineInosineME1003023--3.2204999999999999267.07321910000002
Inosine-15N4 [iSTD]StandardME1002969--3.2073666670000001271.06151190000003
6-Phosphogluconic acid6-Phosphogluconic acidME1002987--8.69275.01736
GuanosineGuanosineME1003015--2.96282.08438999999998
glutathione reducedGlutathioneME1003011--5.78306.07652999999999
RanitidineRanitidineME1003045--1.31313.13398000000001
dTMPdTMPME1003003--7.25321.04933
CMPCMPME1003000--7.4462000000000002322.04464469999999
3',5' cyclic AMP3',5' cyclic AMPME1002980--4.25328.04523999999998
Hexose diphosphate-ME1003016--9.9499999999999993338.98876999999999
Sucrose/Lactose/Trehalose-ME1003051--2.5499999999999998341.10892999999999
AMPAMPME1002994--7.41346.05581000000001
IMPIMPME1003021--8.4499999999999993347.03982000000002
SuccinyladenosineSuccinyladenosineME1003050--7.15382.10043999999999
ADPADPME1002992--9.73426.02213999999998
GDPGDPME1003007--10.52442.01704999999998
Adenylsuccinic acidAdenylsuccinic acidME1002989--10.1462.06677000000002
Glycocholic acidGlycocholic acidME1003013--3.85464.30176
Glycocholate-d4 [iSTD]StandardME1002970--3.8510833330000001468.32681409999998
Oxidized glutathioneOxidized glutathioneME1003036--7.66611.14467999999999
Propionic acidPropionic acidME1003042--3.851083333000000173.029365960000007
Butyric acidButyric acidME1002997--3.619000000000000287.045023580000006
Oxalic acidOxalic acidME1003035--7.2788.988029999999995
Lactic acidLactic acidME1003026--3.851083333000000189.024409860000006


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Salicylic acidSalicylic acidME1003108--3.89137.02430000000001
Hydrocinnamic acidHydrocinnamic acidME1003115--6.53149.0607
OxypurinolOxypurinolME1003117--0.86151.02610000000001
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME1003109--1.59151.04
3-Methyladipic acid3-Methyladipic acidME1003081--1.47159.06620000000001
2-Hydroxyoctanoic acid2-Hydroxyoctanoic acidME1003089--6.8159.1026
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME1003090--5.98159.1026
Phenyllactic acidPhenyllactic acidME1003116--2.8165.0557
Capric acidCapric acidME1003062--10.96171.13900000000001
Indoleacetic acidIndoleacetic acidME1003114--5.21174.05600000000001
N-FormylmethionineN-FormylmethionineME1003112--1.1200000000000001176.0386
HexoseHexoseME1003111--0.61179.05609999999999
Azelaic acidAzelaic acidME1003082--4.93187.0976
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME1003091--8.43187.13399999999999
5-Dodecenoic acid5-Dodecenoic acidME1003072--11.71197.15469999999999
Lauric acidLauric acidME1003063--12.6199.1705
Sebacic acidSebacic acidME1003083--6.33201.11330000000001
Tridecylic acidTridecylic acidME1003064--13.36213.18610000000001
Undecanedioic acidUndecanedioic acidME1003084--7.28215.12889999999999
N-AcetyltyrosineN-AcetyltyrosineME1003113--1.0900000000000001222.07730000000001
Myristic acidMyristic acidME1003065--14.07227.20189999999999
Dodecanedioic acidDodecanedioic acidME1003085--8.07229.1446
Pentadecylic acidPentadecylic acidME1003066--14.72241.2174
2-Hydroxymyristic acid2-Hydroxymyristic acidME1003092--12.47243.19659999999999
Palmitoleic acidPalmitoleic acidME1003073--14.35253.2174
Palmitic acidPalmitic acidME1003067--15.32255.233
RibothymidineRibothymidineME1003110--0.89257.07810000000001
Tetradecanedioic acidTetradecanedioic acidME1003086--9.51257.17599999999999
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME1003074--14.94267.233
Margaric acidMargaric acidME1003068--15.89269.24880000000002
2-Hydroxy palmitic acid2-Hydroxypalmitic acidME1003094--14.01271.22800000000001
Juniperic acidJuniperic acidME1003093--11.38271.22809999999998
Linoleic acidLinoleic acidME1003075--14.77279.233
Oleic acidOleic acidME1003076--15.5281.24860000000001
Stearic acidStearic acidME1003069--16.43283.26459999999997
Hexadecanedioic acidHexadecanedioic acidME1003087--10.91285.2072
13-HODE13-HODEME1003097--11.74295.2278
Nonadeca-10Z-enoic acidNonadeca-10Z-enoic acidME1003077--16.010000000000002295.26440000000002
2-Hydroxyoleic acid2-Hydroxyoleic acidME1003095--14.29297.24349999999998
Nonadecylic acidNonadecylic acidME1003070--17.02297.27999999999997
9-cis-Retinoic acid9-cis-Retinoic acidME1003100--13.13299.20179999999999
Arachidonic acidArachidonic acidME1003078--14.49303.233
Eicosenoic acidEicosenoic acidME1003079--16.53309.2801
Phytanic acidPhytanic acidME1003099--16.809999999999999311.29570000000001
Arachidic acidArachidic acidME1003071--17.66311.29579999999999
12,13-DiHOME12,13-DiHOMEME1003096--10.210000000000001313.23860000000002
12-HETE12-HETEME1003098--12.21319.2278
cis-Erucic acidcis-Erucic acidME1003080--17.71337.31150000000002
Eicosanedioic acidEicosanedioic acidME1003088--13.56341.2697
15R-15-methyl PGA2 [iSTD]StandardME1003059--9.75347.22269999999997
15S-15-methyl PGE2 [iSTD]StandardME1003060--8.35365.23329999999999
15S-15-methyl PGE1 [iSTD]StandardME1003061--8.48367.24900000000002
Chenodeoxycholic acidChenodeoxycholic acidME1003101--10.94391.28550000000001
Deoxycholic acidDeoxycholic acidME1003102--10.94391.28550000000001
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME1003103--8.3699999999999992405.2647
Cholic acidCholic acidME1003104--9.14407.28030000000001
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME1003105--8.06448.30709999999999
Glycocholic acidGlycocholic acidME1003106--8.0500000000000007464.30189999999999
Taurocholic acidTaurocholic acidME1003107--8.24514.28470000000004


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