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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME735796--1.083146.06003
1-Methyladenosine1-MethyladenosineME735638--7.565282.1196
1-Methylhistamine1-MethylhistamineME735628--7.315126.10236
1-Methyl-L-histidine1-MethylhistidineME735577--8.934170.09213
1_1-Methylnicotinamide-d31-Methyl nicotinamideME735525--6.177140.08925
Cytidine 2',3'-cyclic monophosphoric acid2',3' cyclic CMPME735778--8.284306.04797
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME735646--9.931191.11592
2-Hydroxy-2-methylbutyric acid2-Hydroxy-2-methyl-butyric acidME735752--7.784101.05965
N2-Methylguanosine2-MethylguanosineME735860--6.535298.11432
2'-O-Methyladenosine2'-O-MethyladenosineME735631--2.696282.11942
2-Phenylacetamide2-PhenylacetamideME735746--1.087136.08693
Adenosine 3',5'-cyclic monophosphate3',5' cyclic AMPME735686--7.572330.05923
Guanosine 3',5'-cyclic monophosphate3',5' cyclic GMPME735960--8.367346.05423
Adenosine 3'-monophosphate3'-AMPME735740--9.022348.07016
(3-Carboxypropyl)trimethylammonium cation3-DehydroxycarnitineME735695--7.747146.11746
3-Hydroxypyridine3-HydroxypyridineME735648--1.46896.0442
3-Indolepropionic acid3-Indolepropionic acidME735647--1.127190.086
3-Methoxytyramine3-MethoxytyramineME735610--5.425168.10167
3-Methyladenine3-MethyladenineME735961--5.269150.09131
3-Methyl-L-histidine3-MethylhistidineME735692--9.399170.09248
3-Methyloxyindole3-MethyloxindoleME735562--1.11148.0869
3-Methylthiopropylamine3-MethylthiopropylamineME735724--5.116106.06849
3'-O-Methylguanosine3'-O-MethylguanosineME735888--5.8298.11487
4-Guanidinobutyric acid4-Guanidinobutanoic acidME735867--7.628146.09206
4-Hydroxyquinoline4-HydroxyquinolineME735814--1.795146.05974
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME735571--1.17144.0475
5'-DEOXYADENOSINE5'-DeoxyadenosineME735926--2.98252.10904
5-Hydroxyindole5-HydroxyindoleME735738--1.117134.0601
5-Hydroxylysine5-HydroxylysineME735949--9.787163.10782
5-Methylcytosine5-MethylcytosineME735745--5.64126.06594
5'-Methylthioadenosine5'-MethylthioadenosineME735914--2.62298.09656
7-Methyladenine7-MethyladenineME735652--3.263150.07722
7-Methylguanine7-MethylguanineME735635--5.426166.0721
7-Keto-8-aminopelargonic acid8-Amino-7-oxononanoic acidME735650--6.046188.12817
Acetylcholine cationAcetylcholineME735792--3.072146.11739
AdenineAdenineME735637--4.643136.06151
AdenosineAdenosineME735793--4.96268.1033
(4-Aminobutyl)guanidineAgmatineME735835--8.89131.12903
Ala-AlaAla-AlaME735608--8.339161.09193
Ala-Ala-AlaAla-Ala-AlaME735584--8.319232.12933
Ala-AsnAla-AsnME735588--9.223204.09807
Ala-AspAla-AspME735920--8.974205.08223
Ala-GlnAla-GlnME735657--9.06218.11337
Ala-IleAla-IleME735964--7.664203.13879
Ala-LeuAla-LeuME735838--7.465203.13885
Ala-LysAla-LysME735834--9.66218.14984
1_Alanine_d3AlanineME735527--8.10693.07365
AlanineAlanineME735829--8.10390.0549
Ala-PheAla-PheME735798--7.484237.12334
Ala-ProAla-ProME735909--8.115187.10774
Ala-ThrAla-ThrME735580--8.682191.10213
Ala-TrpAla-TrpME735913--7.43276.13443
Ala-TyrAla-TyrME735552--7.872253.11858
CyclocytidineAncitabineME735561--6.315226.08224
L-AnserineAnserineME735770--9.521241.12881
Arg-AlaArg-AlaME735915--9.615246.15619
Arg-GlnArg-GlnME735812--9.834303.17734
Arg-GluArg-GluME735654--9.78304.16101
Arg-HisArg-HisME735573--10.087312.17804
1_Arginine_d7ArginineME735528--9.474182.16252
ArginineArginineME735789--9.475175.11877
Argininosuccinic acidArgininosuccinic acidME735720--9.934291.1301
Arg-LeuArg-LeuME735919--8.674288.20258
Arg-LysArg-LysME735704--10.153303.21338
Arg-MetArg-MetME735843--9.073306.15952
Arg-ProArg-ProME735743--9.376272.17194
Arg-ThrArg-ThrME735933--9.692276.16626
Arg-TrpArg-TrpME735820--8.679361.19754
Arg-TyrArg-TyrME735935--9.239338.18259
Arg-ValArg-ValME735605--9.13274.1868
Asn-AlaAsn-AlaME735859--8.869204.09744
Asn-ArgAsn-ArgME735779--9.835289.16165
Asn-GlnAsn-GlnME735821--9.448261.11893
Asn-GluAsn-GluME735678--9.321262.1037
Asn-LysAsn-LysME735826--9.87261.15561
Asn-ThrAsn-ThrME735893--9.182234.10823
Asn-ValAsn-ValME735730--8.142232.12875
Asp-ArgAsp-ArgME735818--9.853290.14621
1_Aspartic acid_d3Aspartic acidME735529--9.194137.06358
L-Aspartic acidAspartic acidME735593--9.216134.04445
Asp-GluAsp-GluME735591--9.516263.08685
Asp-HisAsp-HisME735662--9.854271.10388
Asp-IleAsp-IleME735578--8.174247.129
Asp-LeuAsp-LeuME735965--8.008247.12903
Asp-PheAsp-PheME735953--8.253281.11279
Asp-ProAsp-ProME735881--9.12231.09746
Asp-SerAsp-SerME735618--9.702221.07681
Asp-ValAsp-ValME735598--8.498233.1134
Norharmanebeta-CarbolineME735550--2.097169.07561
BetaineBetaineME735731--7.176118.08582
BiotinBiotinME735941--2.992245.0952
CadaverineCadaverineME735896--9.016103.12269
1_Acetylcarnitine_d3CAR 2:0ME735526--7.139207.14114
Acetyl-carnitineCAR 2:0ME735837--7.135204.12321
PropionylcarnitineCAR 3:0ME735875--6.335218.13863
(R)-ButyrylcarnitineCAR 4:0ME735833--5.705232.15448
1_Carnitine_d3CarnitineME735530--7.786165.13072
CarnosineCarnosineME735599--9.584227.11389
Cytidine 5'-diphosphocholineCDP-cholineME735854--9.869489.1152
1_Choline_d9CholineME735531--5.08113.16326
Choline cationCholineME735790--5.094104.10682
O-PhosphocholineCholine phosphateME735943--9.631184.07317
CitrullineCitrullineME735840--8.828176.10257
Cytidine 5'-monophosphateCMPME735677--9.308324.05844
Coniferyl aldehydeConiferyl aldehydeME735613--1.327179.08121
1_Creatine_d3CreatineME735532--8.093135.0956
CreatineCreatineME735601--8.075154.05869
1_Creatinine_d3CreatinineME735533--4.886117.08466
CreatinineCreatinineME735607--4.871114.06583
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME735866--1.123211.14398
CystathionineCystathionineME735680--9.876223.07434
CystineCystineME735735--9.91241.03116
CytidineCytidineME735879--6.916244.09264
CytosineCytosineME735802--5.843112.05044
D-AsparagineD-AsparagineME735606--8.725133.06038
2'-Deoxycytidine 5'-monophosphatedCMPME735774--9.301308.06421
2'-DeoxyadenosineDeoxyadenosineME735797--3.987252.10898
2'-DeoxyguanosineDeoxyguanosineME735945--6.556268.10388
DesthiobiotinDethiobiotinME735557--2.175215.13919
5-Methyl-5,6-DihydrouracilDihydrothymineME735771--1.597129.0658
5,6-DihydrouracilDihydrouracilME735794--1.78115.04996
DimethylaminopurineDimethylaminopurineME735581--1.852164.09286
N,N-DimethylarginineDimethylarginineME735783--8.949203.1501
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME735737--1.606147.09163
Dimethyl sulfoxideDimethyl sulfoxideME735672--1.60379.02122
DopamineDopamineME735903--6.2154.08612
ectoineEctoineME735910--7.831143.08147
.epsilon.-CaprolactamEpsilon-caprolactamME735690--1.293114.09132
EthanolamineEthanolamineME735670--7.27262.06015
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME735766--5.276154.0721
GalactosamineGalactosamineME735634--8.377180.08658
.gamma.-Aminobutyric acidgamma-Aminobutyric acidME735579--7.793104.07047
gamma-Glutamylmethioninegamma-GlutamylmethionineME735845--8.482279.10086
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME735902--8.601311.12369
Gln-AlaGln-AlaME735624--8.739218.11372
Gln-ArgGln-ArgME735801--9.628303.17715
Gln-GlnGln-GlnME735742--9.349275.13519
Gln-GluGln-GluME735805--9.246276.11862
Gln-GlyGln-GlyME735694--9.086204.09822
Gln-SerGln-SerME735882--9.329234.1086
Gln-ThrGln-ThrME735656--9.035248.1243
Gln-ValGln-ValME735760--7.893246.14485
Glu-AlaGlu-AlaME735715--8.814219.09767
Glu-AsnGlu-AsnME735868--9.52262.10352
GlucosamineGlucosamineME735761--9.117180.08629
Glucose-1-phosphateGlucose 1-phosphateME735666--9.651261.03708
D-Glucose 6-phosphateGlucose 6-phosphateME735772--10.076261.03729
Glu-GlnGlu-GlnME735755--9.388276.11884
Glu-HisGlu-HisME735658--9.786285.1196
Glu-PheGlu-PheME735931--8.138295.12881
Glu-SerGlu-SerME735884--9.464235.09258
1_Glutamic Acid_d3Glutamic acidME735535--8.773151.07892
Glutamic acidGlutamic acidME735906--8.776148.05986
1_Glutamine_d5GlutamineME735536--8.602152.10739
L-GlutamineGlutamineME735955--8.624147.07613
Glutathione (reduced)GlutathioneME735851--9.059308.09134
Glu-ThrGlu-ThrME735707--9.135249.10767
.alpha.-L-Glu-L-TyrGlu-TyrME735950--8.353311.12305
Gly-ArgGly-ArgME735700--9.768232.14058
GlyciteinGlyciteinME735619--1.128285.07568
Gly-GluGly-GluME735675--9.128205.08212
Gly-HisGly-HisME735944--9.729213.09822
Gly-LeuGly-LeuME735612--7.797189.12344
Gly-LysGly-LysME735679--9.8204.13435
Gly-MetGly-MetME735810--7.925207.07993
Gly-PheGly-PheME735689--7.649223.10713
Gly-Pro-AlaGly-Pro-AlaME735639--8.271244.12946
Gly-Pro-ArgGly-Pro-ArgME735714--9.513329.1933
Gly-SerGly-SerME735563--9.313163.07149
Gly-ThrGly-ThrME735795--8.978177.08656
Gly-TyrGly-TyrME735921--8.139239.10051
Gly-ValGly-ValME735862--7.956175.1073
Guanosine 5'-monophosphateGMPME735844--9.401364.06458
GuanineGuanineME735891--6.501152.05641
GuanosineGuanosineME735784--7.224284.09863
1_HippuricAcid_d5Hippuric acidME735537--2.998185.09172
His-AlaHis-AlaME735633--9.349227.11394
His-AsnHis-AsnME735912--9.762270.11911
His-GlnHis-GlnME735600--9.665284.13535
His-GluHis-GluME735895--9.623285.11914
His-GlyHis-GlyME735749--9.542213.0984
His-IleHis-IleME735674--8.268269.16037
His-LeuHis-LeuME735758--8.147269.16086
His-LysHis-LysME735603--10.074284.17188
His-MetHis-MetME735560--8.536287.11688
His-PheHis-PheME735930--8.045303.14551
His-ProHis-ProME735739--9.191253.12917
His-SerHis-SerME735727--9.684243.10838
HistamineHistamineME735781--8.253112.08687
His-ThrHis-ThrME735911--9.479257.12433
HistidineHistidineME735659--9.378156.07661
His-TyrHis-TyrME735663--8.735319.13983
His-ValHis-ValME735897--8.668255.14465
HomoarginineHomoarginineME735832--9.37189.12337
L-HomocitrullineHomocitrullineME735927--8.7190.11823
HypoxanthineHypoxanthineME735625--4.944137.04543
Ile-ArgIle-ArgME735669--8.928288.20267
Ile-AsnIle-AsnME735671--8.242246.14441
Ile-GlnIle-GlnME735595--8.105260.15994
Ile-GluIle-GluME735729--8.015261.14392
Ile-HisIle-HisME735830--8.81269.16104
Ile-IleIle-IleME735564--6.112245.18536
Ile-LysIle-LysME735886--9.056260.19632
Ile-MetIle-MetME735869--6.81263.13904
Ile-Pro-IleIle-Pro-IleME735702--6.118342.23825
Ile-SerIle-SerME735870--8.045219.13397
Ile-TrpIle-TrpME735582--6.28318.18088
Ile-TyrIle-TyrME735764--7.12295.16516
Ile-ValIle-ValME735565--6.808231.16991
4-Imidazoleacetic acidImidazoleacetic acidME735817--7.92127.05006
InosineInosineME735877--6.292269.08783
Isobutyric acidIsobutyric acidME735726--1.67289.07082
IsoleucineIsoleucineME735548--7.21132.1015
KynurenineKynurenineME735942--6.826209.103
Leu-ArgLeu-ArgME735857--8.785288.20285
Leu-AsnLeu-AsnME735757--8.121246.14436
LeucineLeucineME735842--7.02132.10144
Leu-GlnLeu-GlnME735713--8.008260.16013
Leu-GluLeu-GluME735775--7.937261.14398
Leu-Gly-LeuLeu-Gly-LeuME735667--6.674302.2063
Leu-HisLeu-HisME735937--8.697269.16086
Leu-LysLeu-LysME735803--8.918260.19702
Leu-PheLeu-PheME735721--6.252279.16998
Leu-SerLeu-SerME735925--7.915219.13399
Leu-TyrLeu-TyrME735736--7.037295.16522
HistidinolL-HistidinolME735962--8.404142.09734
Lys-AlaLys-AlaME735831--9.521218.14998
Lys-GlnLys-GlnME735786--9.833275.17172
Lys-GluLys-GluME735878--9.79276.15567
1_Lysine-d8LysineME735538--9.554155.16263
LysineLysineME735719--9.555147.11221
Lys-LeuLys-LeuME735555--8.817260.19662
Lys-LysLys-LysME735782--10.16275.20789
Lys-MetLys-MetME735922--9.11278.15292
Lys-PheLys-PheME735822--8.746294.18097
Lys-ProLys-ProME735551--9.523244.16565
Lys-ThrLys-ThrME735959--9.741248.16054
Lys-TrpLys-TrpME735847--8.75333.19156
Lys-TyrLys-TyrME735769--9.287310.17606
Lys-ValLys-ValME735947--9.176246.18106
MelamineMelamineME735693--5.557127.07263
Met-GluMet-GluME735545--8.194279.10107
Methacholine cationMethacholineME735785--6.494160.13315
1_Methionine_d8MethionineME735539--7.451158.10815
MethionineMethionineME735627--7.437150.05791
MethioninesulfoxideMethionine sulfoxideME735823--8.544166.05278
Met-HisMet-HisME735767--8.996287.11728
1-MethylguanidineMethylguanidineME735590--5.68774.07114
Met-LeuMet-LeuME735808--6.387263.14249
Met-PheMet-PheME735655--6.423297.12671
Met-ProMet-ProME735621--7.425247.11134
Met-ValMet-ValME735570--7.012249.12689
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME735780--8.478287.24435
N,N-DimethylguanosineN2,N2-DimethylguanosineME735846--5.599312.1301
N-epsilon-AcetyllysineN6-AcetyllysineME735615--8.079189.12312
IsopentenyladenineN6-IsopentenyladenineME735668--1.734204.12442
N6-MethyladenosineN6-MethyladenosineME735901--3.519282.11923
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME735939--9.189175.14374
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME735768--9.233189.15945
N8-AcetylspermidineN8-AcetylspermidineME735630--8.856188.17552
N-AcetylhistamineN-AcetylhistamineME735928--6.016154.09735
N-AcetylhistidineN-AcetylhistidineME735717--8.121198.08716
N-Acetyl-leucineN-AcetylleucineME735917--2.085174.1122
N-Acetyl-L-methionineN-AcetylmethionineME735936--3.118192.06871
N-Acetylneuraminic acidN-Acetylneuraminic acidME735861--9.333310.11292
N-alpha-Acetyl-L-ornithineN-AcetylornithineME735706--8.395175.10771
N-AcetylphenylalanineN-AcetylphenylalanineME735586--2.514208.0968
N-(2-phenylethyl)acetamideN-acetylphenylethylamineME735759--1.089164.10687
N-AcetyltryptophanN-Acetyl-tryptophanME735622--2.758247.10739
NiacinamideNiacinamideME735609--1.734123.05489
Nicotinamide riboside cationNicotinamide ribosideME735698--7.458255.09744
Nicotinic acidNicotinic acidME735819--3.903124.03893
N-Methyl-L-prolineN-Methyl-prolineME735602--7.238130.0863
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME735865--2.051230.24802
O-AcetylserineO-AcetylserineME735904--7.828148.06015
OPHTHALMIC ACIDOphthalmic acidME735691--8.978290.13403
OrnithineOrnithineME735549--9.605133.09677
Pantothenic acidPantothenic acidME735640--3.428220.11743
Pentaethylene glycolPentaethylene glycolME735699--1.722239.14903
Phe-AlaPhe-AlaME735756--7.296237.12338
Phe-ArgPhe-ArgME735807--8.667322.18716
Phe-AspPhe-AspME735664--7.828281.11328
Phe-GlnPhe-GlnME735725--7.935294.14511
Phe-GluPhe-GluME735712--7.872295.12912
Phe-GlyPhe-GlyME735645--7.571223.10777
Phe-HisPhe-HisME735791--8.595303.14539
Phe-LeuPhe-LeuME735839--5.686279.17035
Phe-LysPhe-LysME735623--8.862294.181
PhenylacetaldehydePhenylacetaldehydeME735616--5.411121.0647
1_Phenylalanine-d8PhenylalanineME735540--6.905174.13593
DL-PhenylalaninePhenylalanineME735597--6.892166.08569
2-PhenylethylaminePhenylethylamineME735568--4.753122.09605
Phe-PhePhe-PheME735643--5.807313.15451
Phe-TrpPhe-TrpME735701--5.874352.16541
Phe-ValPhe-ValME735676--6.135265.15417
PhosphoserinePhosphoserineME735585--9.878186.01613
Pipecolic acidPipecolic acidME735665--7.551130.08623
Pro-AlaPro-AlaME735626--7.903187.1077
Pro-AsnPro-AsnME735705--8.853230.11356
Pro-AspPro-AspME735644--8.568231.09711
Pro-GlnPro-GlnME735858--8.67244.12885
Pro-GluPro-GluME735827--8.482245.11346
Proline-hydroxyprolinePro-hydroxyProME735800--8.615229.11836
Pro-LeuPro-LeuME735958--7.123229.15456
ProlineProlineME735799--7.799116.07056
Pro-LysPro-LysME735848--9.446244.16559
Pro-MetPro-MetME735763--7.558247.1113
Pro-PhePro-PheME735687--7.008263.13904
Pro-ProPro-ProME735849--7.898213.1234
Pro-SerPro-SerME735547--8.607203.10275
Pro-ThrPro-ThrME735651--8.244217.11807
Pro-TrpPro-TrpME735874--6.994302.14993
Pro-ValPro-ValME735558--7.674215.13887
PterinePterinME735660--5.277164.05672
PurinePurineME735718--2.417121.0507
PutrescinePutrescineME735722--9.24889.10725
pyridinePyridineME735709--6.56380.04943
PyridoxalPyridoxalME735836--2.185168.06549
PyridoxaminePyridoxamineME735777--7.986169.09692
PyridoxinePyridoxineME735748--3.77170.08122
L-Pyroglutamic acidPyroglutamic acidME735788--7.864259.09207
Quinoline-2,8-diolQuinoline-2,8-diolME735966--1.748162.06593
RiboflavinRiboflavinME735556--6.14377.14557
L-SaccharopineSaccharopineME735954--9.816277.13901
S-Adenosyl-homocysteineS-AdenosylhomocysteineME735957--8.778385.12827
S-Adenosyl-methionineS-AdenosylmethionineME735754--9.728399.14517
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME735636--8.991180.03249
Ser-ArgSer-ArgME735852--9.838262.15134
Ser-AspSer-AspME735892--9.397221.07704
Ser-GlnSer-GlnME735880--9.428234.108
Ser-GluSer-GluME735733--9.297235.09261
Ser-GlySer-GlyME735908--9.187163.07143
Ser-HisSer-HisME735952--9.793243.10902
1_Serine_d3SerineME735541--8.671109.06854
SerineSerineME735762--8.671106.04958
Ser-LysSer-LysME735856--9.863234.14499
Ser-MetSer-MetME735809--8.099237.09041
Ser-SerSer-SerME735940--9.433193.08217
Ser-ThrSer-ThrME735734--9.149207.0977
Ser-ValSer-ValME735681--8.123205.11794
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME735575--10.117427.09528
Glycerophosphocholinesn-Glycero-3-phosphocholineME735864--8.602258.10928
SpermineSpermineME735811--6.951203.22275
StachydrineStachydrineME735594--7.065144.1019
Tetraethylene glycolTetraethylene glycolME735887--1.652195.12241
Thiamine cationThiamineME735716--6.834265.11157
Thr-AlaThr-AlaME735900--8.496191.10278
Thr-AspThr-AspME735683--9.126235.0927
L-ThreonineThreonineME735559--8.29120.06519
Thr-GlnThr-GlnME735583--9.189248.12387
Thr-GluThr-GluME735566--9.029249.1084
Thr-GlyThr-GlyME735569--8.818177.08708
Thr-HisThr-HisME735918--9.635257.12457
Thr-LeuThr-LeuME735576--7.678233.14961
Thr-PheThr-PheME735684--7.49267.13397
Thr-ThrThr-ThrME735614--8.822221.11285
Thr-TyrThr-TyrME735905--8.009283.12802
Thr-ValThr-ValME735592--7.799219.13423
Thr-Val-LeuThr-Val-LeuME735572--7.054332.21802
ThymineThymineME735850--2.146127.05025
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME735813--8.079132.07649
TrehaloseTrehaloseME735653--8.987360.14926
2,2',2''-NitrilotriethanolTriethanolamineME735649--6.561150.11227
TrigonellineTrigonellineME735916--7.423138.05469
1_TMAO_d9Trimethylamine N-oxideME735542--5.45585.132
Trimethylamine N-oxide (TMAO)Trimethylamine N-oxideME735890--5.45576.07565
Trp-GlyTrp-GlyME735889--7.564262.11877
Trp-LeuTrp-LeuME735750--6.077318.18143
TryptamineTryptamineME735553--5.012161.10713
1_Tryptophan-d5TryptophanME735543--6.874210.12804
TryptophanTryptophanME735824--6.869205.0966
TyramineTyramineME735620--5.614138.09097
Tyr-GlnTyr-GlnME735871--8.481310.13895
Tyr-GlyTyr-GlyME735661--8.044239.10265
Tyr-HisTyr-HisME735963--9.149319.14023
Tyr-IleTyr-IleME735825--6.78295.16534
TyrosineTyrosineME735804--7.686182.08096
Tyr-PheTyr-PheME735589--6.707329.14978
Tyr-ProTyr-ProME735899--7.462279.13403
Tyr-TyrTyr-TyrME735688--7.457345.1441
Tyr-ValTyr-ValME735806--7.3281.14969
Uridine 5'-monophosphateUMPME735611--9.149325.04279
UracilUracilME735685--2.439113.03443
UreaUreaME735934--2.76561.03983
3-Ureidopropionic acidUreidopropionic acidME735708--5.522133.06076
Urocanic acidUrocanic acidME735741--3.572139.05002
Val-ArgVal-ArgME735673--9.253274.18689
Val-AsnVal-AsnME735907--8.587232.12933
Val-AspVal-AspME735787--8.334233.11269
Val-GlnVal-GlnME735938--8.437246.14427
Val-GluVal-GluME735883--8.308247.12827
Val-GlyVal-GlyME735682--8.247175.10736
Val-HisVal-HisME735574--9.158255.14523
ValineValineME735732--7.796118.08606
Val-LysVal-LysME735697--9.332246.18124
Val-MetVal-MetME735948--7.286249.1268
Val-PheVal-PheME735642--6.688265.1539
Val-ProVal-ProME735641--7.546215.13879
Val-SerVal-SerME735863--8.342205.11841
Val-TrpVal-TrpME735751--6.682304.16501
Val-TyrVal-TyrME735894--7.551281.14935
Val-ValVal-ValME735728--7.392217.15419
XanthineXanthineME735744--5.654153.04056
XanthosineXanthosineME735872--7.382285.08276
1_CUDA iSTD-ME735534--1.113341.27917
1-Ethyl-4-piperidinylamine-ME735876--8.555129.13846
2,3,5,6-Tetramethylpyrazine-ME735629--3.531137.10706
2-Aminobenzimidazole-ME735711--5.373134.07111
2-Dimethylamino-6-hydroxypurine-ME735932--4.109180.08801
2-Methylquinolin-8-ol-ME735773--1.217160.07567
3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)...-ME735946--6.149324.14481
3,4-Dihydroxyacetophenone-ME735873--4.005153.04808
3,4-Dimethylbenzaldehyde-ME735815--2.136135.0802
3-Aminobenzoic acid-ME735924--1.363138.05475
3-Methylbenzyl alcohol-ME735696--7.489105.06975
3'-O-Methylcytidine-ME735853--5.213258.10828
3'-O-Methylinosine-ME735544--4.325283.10361
3-Pyridinemethanol-ME735765--1.69110.05975
4-Deoxypyridoxine-ME735723--4.045154.08627
4-Morpholinopropanesulfonic acid-ME735617--6.8210.07899
5'-O-Acetyladenosine-ME735841--2.774310.11447
6-(gamma,gamma-Dimethylallylamino)purine riboside-ME735885--1.892336.16599
.beta.-Homoproline-ME735546--4.363130.08629
Diprotin B-ME735776--6.569328.22244
DL-.alpha.-Aminopimelic acid-ME735710--8.092176.09149
DL-Leu-Val-ME735753--6.703231.1703
DL-Norleucinamide-ME735951--5.937131.11781
Glycyl-L-4-hydroxyproline-ME735956--8.79189.08684
L-Hydroxyarginine-ME735632--9.66191.1138
L-Tyrosine, ethyl ester-ME735855--3.809210.11255
L-Valinamide-ME735923--6.271117.10212
N-[2-(4-hydroxyphenyl)ethyl]acetamide-ME735554--1.146180.10185
N.epsilon.-Methyl-L-lysine-ME735816--9.317161.12825
N-Methyl-L-threonine-ME735587--7.853134.08102
N,N-Diethyl-2-aminoethanol-ME735567--4.78118.12261
Prolinamide-ME735898--6.452115.08659
P-Toluenesulfonic acid-ME735703--8.962173.02094
PyroGlu-Trp-ME735828--5.97316.12872
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-m...-ME735929--1.157197.12846
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-...-ME735747--1.663261.12289
Triethylene glycol monobutyl ether-ME735596--1.074207.16064
tryptophan ethyl ester-ME735604--3.266233.12849


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2,4-Benzenetriol1,2,4-TrihydroxybenzeneME736058--1.427125.02409
1-Methyluric acid1-Methyluric acidME736234--5.992181.03662
Cytidine 2',3'-cyclic monophosphoric acid2',3' cyclic CMPME736191--8.289304.03372
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME736189--1.87117.05555
2-Hydroxy-3-methylpentanoic acid2-Hydroxy-3-methyl-pentanoic acidME736253--1.662131.07115
Salicylic alcohol2-Hydroxybenzyl alcoholME736020--2.713123.04486
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME736081--8.075147.02977
.alpha.-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME736002--2.455103.04002
2-Hydroxypalmitic acid2-Hydroxypalmitic acidME736108--1.079271.22794
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME736009--1.554151.03987
2-Hydroxyquinoline2-HydroxyquinolineME736150--1.083144.04524
2-hydroxystearic acid2-Hydroxystearic acidME736133--1.05299.25845
2-Keto-L-gulonic acid2-Keto-L-gulonic acidME736300--8.331193.03473
N2-Methylguanosine2-MethylguanosineME736272--6.518296.09988
2'-O-Methylguanosine2'-O-MethylguanosineME736216--5.98296.09979
2'-O-Methyluridine2'-O-MethyluridineME736278--2.404257.078
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME736062--2.75153.01901
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME736041--1.773181.05043
Adenosine 3',5'-cyclic monophosphate3',5' cyclic AMPME736104--7.571328.04544
Guanosine-3',5'-cyclic monophosphate3',5' cyclic GMPME736367--8.361344.04028
Adenosine 3'-monophosphate3'-AMPME736154--8.672346.05551
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME736315--1.475152.03531
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME736088--1.093121.02927
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME736096--1.774137.03554
3-(Hydroxymethyl)phenol3-Hydroxybenzyl alcoholME736210--2.208123.04491
3-Hydroxybutyric acid3-Hydroxybutyric acidME736312--1.83103.03995
3-Hydroxyhippuric acid3-Hydroxyhippuric acidME736338--5.64194.02876
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME736193--6.567161.04552
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME736187--1.316159.10248
1H-Indole-3-propanoic acid3-Indolepropionic acidME736066--1.081188.07164
3-Isochromanone3-IsochromanoneME736011--1.875147.04507
L-Cysteinesulfinic acid3-Sulfino-alanineME735974--9.287152.00192
4-Acetamidobutyric acid4-Acetamidobutanoic acidME736297--2.191144.06639
4-HYDROXYBENZOATE4-Hydroxybenzoic acidME736048--1.503137.02417
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME736121--3.699181.0507
4-Pyridoxate4-Pyridoxic acidME736082--2.722182.04532
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME736038--4.316125.04671
5-Hydroxylysine5-HydroxylysineME736359--9.784161.09279
5'-Methylthioadenosine5'-MethylthioadenosineME736330--2.811296.08072
AdenineAdenineME736056--4.647134.04706
AdenosineAdenosineME736208--4.974266.08957
Adipic acidAdipic acidME736320--2.111145.0504
Ala-AlaAla-AlaME736029--8.339159.07709
Ala-ArgAla-ArgME736270--9.616244.14085
Ala-AsnAla-AsnME736008--9.236202.08282
Ala-AspAla-AspME736335--8.968203.06679
Ala-GlnAla-GlnME736076--9.057216.09866
Ala-GluAla-GluME736310--8.873217.08266
Ala-LeuAla-LeuME736250--7.671201.12387
Ala-LysAla-LysME736246--9.647216.13513
AlanineAlanineME736241--8.10288.04021
Ala-PheAla-PheME736211--7.482235.10826
Ala-ProAla-ProME736322--8.103185.09259
Ala-SerAla-SerME736101--8.988175.07191
Ala-ThrAla-ThrME736000--8.681189.08794
Ala-TrpAla-TrpME736329--7.428274.11935
Ala-TyrAla-TyrME735983--7.862251.10307
Ala-ValAla-ValME736151--7.79187.10823
AllantoinAllantoinME736226--5.676157.03642
Adenosine 5'-monophosphateAMPME736287--9.013346.05582
AnserineAnserineME736184--9.538239.11476
D-Arabinonic acidArabinonic acidME736245--8.321165.04018
D-(+)-ArabitolArabitolME736073--7.034151.06081
Arg-AspArg-AspME736269--9.856288.1312
Arg-GlnArg-GlnME736223--9.836301.16263
ArginineArginineME736203--9.476173.1039
Arg-LeuArg-LeuME736334--8.674286.18826
Arg-LysArg-LysME736115--10.152301.19907
Arg-ValArg-ValME736025--9.131272.17264
Asn-AlaAsn-AlaME736271--8.865202.0831
Asn-AspAsn-AspME736087--9.419246.07253
Asn-GlnAsn-GlnME736231--9.453259.104
Asn-LysAsn-LysME736238--9.878259.1409
Asn-ThrAsn-ThrME736299--9.175232.09328
Asn-ValAsn-ValME736141--8.13230.11447
L-ASPARTATEAspartic acidME736014--9.215132.02998
Asp-AspAsp-AspME736051--9.643247.05656
Asp-GluAsp-GluME736012--9.526261.0726
Asp-MetAsp-MetME736040--8.675263.07001
Asp-PheAsp-PheME736362--8.207279.09778
Asp-ProAsp-ProME736292--9.087229.08247
Asp-SerAsp-SerME736039--9.699219.06165
Asp-ValAsp-ValME736018--8.708231.09793
Azelaic acidAzelaic acidME735989--1.477187.09718
BiotinBiotinME736351--2.847243.08055
CarnosineCarnosineME736019--9.579225.09868
Aconitic acidcis-Aconitic acidME736067--7.853173.00903
Citramalic acidCitramalic acidME736339--9.335147.02991
Citric acidCitric acidME736137--9.385191.01964
CitrullineCitrullineME736252--8.829174.08806
Cytidine-5'-monophosphateCMPME736093--9.472322.04391
CreatinineCreatinineME736028--5.003112.05148
DL-CystathionineCystathionineME736098--9.876221.05991
Cysteic acidCysteic acidME736347--9.052167.99702
S-SulfocysteineCysteine-S-sulfateME736192--8.043199.96921
CystineCystineME736149--9.918239.01624
DaidzeinDaidzeinME736369--1.148253.05008
D-AsparagineD-AsparagineME736027--8.723131.04602
2-DeoxyuridineDeoxyuridineME736182--3.152227.06728
Dihydroxyacetone phosphateDihydroxyacetone phosphateME736065--8.598168.981
N,N-DimethylarginineDimethylarginineME736196--8.97201.13547
2'-Deoxyuridine-5'-monophosphatedUMPME736119--8.752307.02075
Ethylmalonic acidEthylmalonic acidME736291--2.415131.03485
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME736180--5.279152.0576
D-Fructose-6-phosphateFructose 6-phosphateME735991--9.355259.03299
Mucic acidGalactaric acidME736034--9.869209.02983
GalactinolGalactinolME736301--9.728387.11423
L-.gamma.-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME736217--9.242275.08847
gamma-Glutamylglutaminegamma-GlutamylglutamineME736106--9.397274.10373
gamma-Glutamylmethioninegamma-GlutamylmethionineME736257--8.243277.08649
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME736309--8.601309.10861
4,5,7-TrihydroxyisoflavoneGenisteinME736283--1.114269.04492
2,5-dihydroxy benzoic acidGentisic acidME736332--3.041153.01881
Gln-ThrGln-ThrME736075--9.03246.10953
Gln-ValGln-ValME736177--8.111244.1302
Glu-AlaGlu-AlaME736126--8.716217.0829
Glu-ArgGlu-ArgME736174--9.773302.14673
Glu-AsnGlu-AsnME736279--9.547260.08813
.alpha.-L-Glu-L-AspGlu-AspME736054--9.367261.07214
GlucoseGlucoseME736323--7.593179.05586
Glucose-1-phosphateGlucose 1-phosphateME736083--9.654259.02176
D-Glucose-6-phosphateGlucose 6-phosphateME736186--10.066259.02176
D-Glucuronic acidGlucuronic acidME735975--9.256193.03505
Glu-GlnGlu-GlnME736168--9.59274.10449
Glu-ProGlu-ProME736352--8.668243.09795
Glu-SerGlu-SerME736294--9.523233.07764
Glutamic acidGlutamic acidME736313--8.776146.04559
1_Glutamine_d5GlutamineME735970--8.603150.093
L-GlutamineGlutamineME736364--8.631145.06139
Glutaric acidGlutaric acidME736107--2.756131.0349
Glutathione (reduced)GlutathioneME736261--9.059306.07663
Glu-ThrGlu-ThrME736118--9.03247.09346
Gly-ArgGly-ArgME736111--9.749230.12515
Gly-AsnGly-AsnME736052--9.452188.06711
Gly-AspGly-AspME736264--9.246189.05151
GlyceraldehydeGlyceraldehydeME736173--7.81689.0243
Glyceric acidGlyceric acidME736249--8.099105.01929
Glycolic acidGlycolic acidME735976--7.29275.00859
Gly-GluGly-GluME736091--9.127203.06689
Gly-HisGly-HisME736353--9.729211.08305
Gly-LysGly-LysME736097--9.797202.11922
Gly-MetGly-MetME736221--7.905205.06462
Glycyl-L-prolineGly-ProME736143--8.559171.07698
Gly-Pro-AlaGly-Pro-AlaME736057--8.277242.11398
Gly-TyrGly-TyrME736336--8.117237.08792
Gly-ValGly-ValME736275--7.948173.09256
Guanosine 5'-monophosphateGMPME736256--9.403362.05048
GuanineGuanineME736296--6.498150.04201
GuanosineGuanosineME736197--7.228282.08435
Hippuric acidHippuric acidME736235--3.009178.05075
His-AlaHis-AlaME736050--9.348225.09869
His-AsnHis-AsnME736328--9.753268.10492
His-AspHis-AspME736165--9.757269.08893
His-GlnHis-GlnME736021--9.658282.12006
His-GluHis-GluME736303--9.615283.10458
His-GlyHis-GlyME736162--9.547211.0831
His-HisHis-HisME736267--9.957291.12039
His-IleHis-IleME736090--8.266267.14627
His-LeuHis-LeuME736172--8.139267.14551
His-LysHis-LysME736024--10.07282.15643
His-ProHis-ProME736152--9.267251.11429
His-SerHis-SerME736136--9.687241.0941
His-ThrHis-ThrME736327--9.487255.10963
HistidineHistidineME736077--9.383154.06181
His-ValHis-ValME736304--8.666253.13052
L-HomocitrullineHomocitrullineME736342--8.639188.10371
Homogentisic acidHomogentisic acidME736094--2.748167.03459
3-Hydroxypropanoic acidHydroxypropionic acidME735982--2.27289.02443
HypoxanthineHypoxanthineME736045--4.946135.03104
Ile-ArgIle-ArgME736086--8.929286.18823
Ile-AspIle-AspME736317--8.069245.11359
Ile-GlnIle-GlnME736016--8.102258.14578
Ile-GluIle-GluME736139--8.021259.12964
Ile-Gly-IleIle-Gly-IleME736175--7.191300.19254
Ile-HisIle-HisME736242--8.813267.14603
Ile-MetIle-MetME736280--6.853261.12378
Ile-PheIle-PheME736319--6.256277.15567
Ile-Pro-IleIle-Pro-IleME736113--6.233340.22379
Ile-SerIle-SerME736281--8.045217.11864
Ile-TrpIle-TrpME736001--6.278316.16602
Ile-TyrIle-TyrME736179--7.032293.15079
3-Indoleacetic acidIndoleacetic acidME736266--1.121174.05576
DL-Indole-3-lactic acidIndolelactic acidME736341--2.123204.06619
Indoxyl sulfateIndoxyl sulfateME736004--1.36212.00209
InosineInosineME736288--6.291267.07352
N-IsobutyrylglycineIsobutyrylglycineME736026--3.607144.06651
ISOCITRIC ACIDIsocitric acidME736201--8.116191.01962
IsoleucineIsoleucineME735979--7.211130.08714
Lactic acidLactic acidME736122--3.60289.02435
Lactobionic acidLactobionic acidME736125--9.619357.10333
LactoseLactoseME736068--8.739387.11346
Leu-ArgLeu-ArgME736265--8.792286.18793
Leu-AsnLeu-AsnME736171--8.25244.13011
L-LeucineLeucineME736255--7.025130.08713
Leu-GlnLeu-GlnME736124--8.006258.14563
Leu-GluLeu-GluME736188--7.941259.12964
Leu-Gly-LeuLeu-Gly-LeuME736084--7.022300.19196
Leu-HisLeu-HisME736348--8.696267.14548
Leu-LeuLeu-LeuME736147--6.11243.17064
Leu-MetLeu-MetME736194--6.714261.12778
Leu-ProLeu-ProME736308--7.195227.13956
Leu-Pro-LeuLeu-Pro-LeuME736142--6.084340.22382
Leu-SerLeu-SerME736340--7.912217.11865
Leu-ThrLeu-ThrME736157--7.78231.13435
Leu-ValLeu-ValME736166--6.708229.155
Lys-GlnLys-GlnME736199--9.828273.15622
Lys-GluLys-GluME736289--9.79274.1402
Lys-IleLys-IleME736049--9.051258.18201
LysineLysineME736131--9.556145.09798
Lys-LeuLys-LeuME735984--8.828258.18201
Lys-LysLys-LysME736195--10.16273.19305
Lys-PheLys-PheME736232--8.75292.1665
Lys-ProLys-ProME735981--9.472242.15028
Lys-TyrLys-TyrME736183--9.301308.16125
Lys-ValLys-ValME736356--9.181244.16603
Malic acidMalic acidME735993--9.213133.01405
Malonic acidMalonic acidME736205--4.624103.00343
MaltoseMaltoseME736069--8.715341.10797
MaltotetraoseMaltotetraoseME736159--10.021711.21942
MaltotrioseMaltotrioseME736053--9.623549.16638
MannoseMannoseME736324--7.816179.05569
Met-AspMet-AspME736244--8.239263.07059
L-MethionineMethionineME736047--7.442148.04344
MethioninesulfoxideMethionine sulfoxideME736233--8.545164.03848
Met-HisMet-HisME736181--8.991285.10193
Met-IleMet-IleME736206--6.363261.1272
Met-MetMet-MetME736371--6.99279.08344
Met-PheMet-PheME736074--6.421295.11151
Met-ProMet-ProME736042--7.455245.09586
Met-ThrMet-ThrME736127--7.875249.09087
Met-ValMet-ValME735994--7.01247.1115
Mevalonic acidMevalonic acidME736135--2.712147.06607
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME736258--5.575310.11505
N-epsilon-AcetyllysineN6-AcetyllysineME736035--8.085187.1088
IsopentenyladenineN6-IsopentenyladenineME736085--1.686202.10982
N-AcetylalanineN-AcetylalanineME736140--4.727130.05093
N-Acetyl-aspartic acidN-Acetylaspartic acidME736213--7.618174.04057
N-AcetylglucosamineN-AcetylglucosamineME736215--7.215220.08266
N-omega-AcetylhistamineN-AcetylglutamineME736343--6.007152.08247
N-AcetylglycineN-AcetylglycineME736209--7.407116.03508
N-AcetylhistidineN-AcetylhistidineME736129--8.115196.07271
N-ACETYL-L-LEUCINEN-AcetylleucineME736331--2.078172.09773
N-Acetyl-L-methionineN-AcetylmethionineME736346--3.116190.05415
N-Acetylneuraminic acidN-Acetylneuraminic acidME736274--9.368308.09857
N-.alpha.-Acetyl-L-ornithineN-AcetylornithineME736117--8.522173.09273
N-AcetylphenylalanineN-AcetylphenylalanineME736007--2.486206.0822
N-AcetylserineN-AcetylserineME736109--7.8146.04579
N-AcetyltryptophanN-Acetyl-tryptophanME736043--2.765245.09309
N-Acetyl-L-tyrosineN-AcetyltyrosineME736006--4.835222.07716
N-Acetyl-valineN-AcetylvalineME736095--2.445158.08214
N-FormylmethionineN-FormylmethionineME736230--3.903176.03848
Nicotinic acidNicotinic acidME736228--3.904122.02466
N-Methylglutamic acidN-Methyl-glutamic acidME736344--8.509160.06139
NobiletinNobiletinME736176--8.647401.12946
OPHTHALMIC ACIDOphthalmic acidME736273--8.979288.11981
OrnithineOrnithineME735980--9.507131.08244
Orotic acidOrotic acidME736229--7.428155.00978
o-Tyrosineo-TyrosineME736325--7.19180.06619
Glutathione, oxidizedOxidized glutathioneME736355--10.184611.14459
D-Pantothenic acidPantothenic acidME736059--3.422218.1031
Phe-AlaPhe-AlaME736170--7.289235.10832
Phe-AspPhe-AspME736080--7.839279.09778
Phe-GluPhe-GluME736123--7.872293.11438
Phe-GlyPhe-GlyME736064--7.628221.09306
Phe-HisPhe-HisME736207--8.579301.12979
Phe-LeuPhe-LeuME736251--5.682277.15491
DL-PhenylalaninePhenylalanineME736017--6.9164.07146
3-Phenyllactic acidPhenyllactic acidME736306--1.884165.05557
Phe-PhePhe-PheME736061--5.801311.13956
Phe-ThrPhe-ThrME736198--7.611265.11938
Phe-TrpPhe-TrpME736112--5.863350.15039
Phe-ValPhe-ValME736092--6.135263.13934
2-Aminoethyl dihydrogen phosphatePhosphoethanolamineME736277--9.132140.01152
Phosphoric acidPhosphoric acidME736185--9.99996.95995
PhosphoserinePhosphoserineME736005--9.885184.00137
Pimelic acidPimelic acidME736318--1.78159.06607
Pro-AlaPro-AlaME736046--7.917185.09254
Pro-AsnPro-AsnME736116--8.852228.09839
Pro-AspPro-AspME736063--8.571229.08276
Pro-GlnPro-GlnME736268--8.668242.11443
Pro-GluPro-GluME736239--8.481243.09834
Pro-GlyPro-GlyME736254--8.272171.07712
ProlineProlineME736212--7.805114.05573
Pro-PhePro-PheME736105--7.012261.12372
Pro-ProPro-ProME736259--7.873211.10837
Pro-SerPro-SerME735977--8.615201.08762
3,4-Dihydroxybenzoic acidProtocatechuic acidME736357--2.266153.01904
Pro-ValPro-ValME735986--7.66213.12387
PseudouridinePseudouridineME736227--7.025243.06227
PsicosePsicoseME735995--5.992179.0556
PterinePterinME736079--5.283162.04196
PurinePurineME736130--2.418119.03625
PyridoxalPyridoxalME736248--2.354166.0504
PyridoxinePyridoxineME736161--3.419168.06636
L-Pyroglutamic acidPyroglutamic acidME736202--7.865257.078
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME736326--1.543110.02448
Pyruvic acidPyruvic acidME736148--5.24987.00854
Ribose 1-phosphateRibose 1-phosphateME736360--9.236229.01173
L-SaccharopineSaccharopineME736363--9.818275.12473
S-Adenosyl-homocysteineS-AdenosylhomocysteineME736366--8.788383.11435
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME736055--8.989178.01743
Sebacic acidSebacic acidME736022--1.393201.11308
Ser-ArgSer-ArgME736262--9.858260.12457
Ser-AsnSer-AsnME736158--9.545218.07761
Ser-AspSer-AspME736298--9.395219.0616
Ser-GlnSer-GlnME736290--9.42232.09326
Ser-GluSer-GluME736146--9.292233.07791
Ser-GlySer-GlyME736321--9.181161.05637
Ser-HisSer-HisME736361--9.793241.09361
SerineSerineME736178--8.671104.03518
Ser-LysSer-LysME736263--9.865232.12965
Ser-MetSer-MetME736219--8.099235.07576
Ser-SerSer-SerME736350--9.421191.06682
Ser-TyrSer-TyrME736164--8.359267.09793
Ser-ValSer-ValME736099--8.112203.10365
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME735998--10.124425.08035
.beta.-Glycerophosphatesn-Glycero-2-phosphateME736030--8.965171.00633
SorbitolSorbitolME736044--7.799181.07135
Suberic acidSuberic acidME736282--1.613173.08154
Succinic acidSuccinic acidME736132--4.062117.01919
SucroseSucroseME736023--8.43341.108
Sulfoacetic acidSulfoacetic acidME735978--8.299138.97043
5-Hydroxymethyl-2-furancarboxylic acidSumiki's acidME736220--6.067141.01892
TaurineTaurineME736345--7.798124.00718
Thr-AlaThr-AlaME736307--8.49189.08751
Thr-AspThr-AspME736100--9.127233.07726
Threonic acidThreonic acidME736114--9.555135.02974
ThreonineThreonineME735987--8.175118.0509
Thr-GlnThr-GlnME736003--9.185246.1089
Thr-GluThr-GluME735990--9.176247.09332
Thr-GlyThr-GlyME735992--8.827175.07181
Thr-Gly-ThrThr-Gly-ThrME736128--9.027276.11996
Thr-HisThr-HisME736333--9.636255.10927
Thr-LysThr-LysME736354--9.727246.14575
Thr-PheThr-PheME736103--7.483265.11884
Thr-ProThr-ProME736243--8.245215.10318
Thr-SerThr-SerME736070--9.153205.08235
Thr-ThrThr-ThrME736033--8.823219.09795
Thr-TyrThr-TyrME736311--7.985281.11362
Thr-ValThr-ValME736013--7.8217.11871
Thr-Val-LeuThr-Val-LeuME735996--7.042330.2027
ThymidineThymidineME736102--2.705241.08304
ThymineThymineME736260--2.133125.03555
Thymidine-5'-monophosphateTMPME736071--8.417321.06296
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME736224--8.083130.05064
2-Hydroxycinnamic acidtrans-o-Coumaric acidME736225--1.428163.03973
D-(+)-TrehaloseTrehaloseME736072--8.98341.10861
Trehalose-6-PhosphateTrehalose 6-phosphateME736145--10.091421.07513
Trp-GlyTrp-GlyME736295--7.541260.10333
Trp-IleTrp-IleME736222--6.076316.16568
Trp-ValTrp-ValME736160--6.49302.1503
TryptophanTryptophanME736236--6.869203.08237
Tyr-AspTyr-AspME736247--8.373295.09341
Tyr-GlnTyr-GlnME736284--8.482308.12494
Tyr-HisTyr-HisME736368--9.28317.12454
Tyr-IleTyr-IleME736237--6.795293.1499
L-TyrosineTyrosineME736214--7.718180.05936
Tyr-ProTyr-ProME736305--7.444277.11865
Tyr-SerTyr-SerME736370--8.112267.09787
Tyr-ThrTyr-ThrME736167--8.1281.11417
Tyr-ValTyr-ValME736218--7.295279.13422
Uridine 5'-monophosphateUMPME736031--9.126323.02841
UridineUridineME736032--4.941243.062
Urocanic acidUrocanic acidME736155--3.571137.03531
Val-ArgVal-ArgME736089--9.255272.172
Val-AsnVal-AsnME736314--8.583230.11388
Val-AspVal-AspME736200--8.338231.09842
Val-GlnVal-GlnME736349--8.435244.12994
Val-GluVal-GluME736293--8.306245.11406
Val-HisVal-HisME735997--9.162253.12996
ValineValineME736144--7.796116.07144
Val-LeuVal-LeuME736337--6.804229.15559
Val-LysVal-LysME736110--9.337244.16599
Val-MetVal-MetME736358--7.283247.11154
Val-PheVal-PheME736060--6.684263.13983
Val-SerVal-SerME736276--8.369203.10316
Val-TrpVal-TrpME736163--6.676302.15076
Val-TyrVal-TyrME736302--7.545279.13489
Val-ValVal-ValME736138--7.395215.13982
Vanillic acidVanillic acidME736316--1.256167.03482
XanthineXanthineME736156--5.642151.02602
XanthosineXanthosineME736285--7.404283.07828
1_CUDA-ME735972--1.113339.26517
1_D3-Alanine iSTD-ME735967--8.191.05906
1_D3-Aspartic acid iSTD-ME735968--9.179135.04881
1_D3-Glutamic acid iSTD-ME735969--8.773149.06445
1_d5_Hippuric Acid-ME735971--3.026183.08208
3-Hydroxymyristic acid-ME735985--1.229243.19646
3'-O-Methylinosine-ME735973--4.302281.08914
4,6-Dihydroxypyrimidine-ME736036--7.427111.01995
4-Fluorophenylacetic acid-ME736169--1.672153.03036
4-Hydroxy-3-methoxymandelic acid-ME736010--4.647197.04277
4-Hydroxyisophthalic acid-ME735988--1.317181.01425
4-Ketopimelic acid-ME736286--3.324173.04509
4-Morpholinopropanesulfonic acid-ME736037--6.779208.0645
4-Oxohexanoic acid-ME736015--1.365129.05562
6-Aminouracil-ME736153--5.936126.03083
Citraconic acid (2-methylmalate)-ME736078--1.705129.0193
Cordycepin-ME736204--4.891250.09793
Diprotin B-ME736190--6.581326.20831
DL-.alpha.-Aminopimelic acid-ME736120--8.088174.0769
Ethyl sulfate-ME736134--1.834124.99119
N-Acetylgalactoseamine-ME735999--7.429220.08269
P-Anisic acid-ME736365--1.15151.03981
Propenyl sulfate (?)-ME736372--3.217136.9912
PyroGlu-Trp-ME736240--5.969314.1145


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