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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-HydroxypyruvateHydroxypyruvic acidME585730-C00168-103.0036586
2-Hydroxybutyrate2-Hydroxybutyric acidME585719-C05984-103.0400441
dimethylglycineDimethylglycineME585806-C01026-104.0706
Aminoisobutanoate3-Aminoisobutanoic acidME585756-C05145-104.0706285
Gamma-aminobutyrategamma-Aminobutyric acidME585816-C00334-104.0706285
CholineCholineME585783-C00114-104.1075391
SerineSerineME585968-C00065-106.0498931
HypotaurineHypotaurineME585860-C00519-110.0270492
UracilUracilME585993-C00106-111.0199774
HistamineHistamineME585854-C00388-112.0869473
CreatinineCreatinineME585790-C00791-114.0662119
DihydrouracilDihydrouracilME585804-C00429-115.0502274
N-AcetylglycineN-AcetylglycineME585886---116.0353
ProlineProlineME585943-C16435-116.0706285
ValineValineME585999-C16436-116.0716786
GuanidinoacetateGuanidoacetic acidME585843-C00581-118.0611265
BetaineBetaineME585767-C00719-118.0862786
Methyl 4-aminobutyrateMethyl 4-aminobutanoateME585875-C00334-118.08628
ThreonineThreonineME585983-C00188-120.0655432
NicotinamideNiacinamideME585899-C00153-123.0553128
TaurineTaurineME585978-C00245-126.0219638
PyroglutamatePyroglutamic acidME585954-C01879-128.0352931
ItaconateItaconic acidME585865-C00490-129.0193087
2-MethylmaleateCitraconic acidME585722-C02226-129.01931
3-Methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME585731-C03465-129.0556942
N-AcetylalanineN-AcetylalanineME585881---130.0509432
PipecolatePipecolic acidME585941-C00408-130.0862786
GlutarateGlutaric acidME585830-C00489-131.0349587
ThioprolineThioprolineME585980---132.0124492
AspartateAspartic acidME585762-C16433-132.0302077
5-Aminolevulinate5-Amino-levulinic acidME585735-C00430-132.0655432
cis-4-Hydroxyprolinecis-4-HydroxyprolineME585784-C01015-132.0655432
trans-4-Hydroxyprolinetrans-4-HydroxyprolineME585984-C01157-132.0655432
CreatineCreatineME585789-C00300-132.0767765
Leucine/IsoleucineLeucine/IsoleucineME585868-C00123-132.1019
NorleucineNorleucineME585900-C01933-132.1019287
MalateMalic acidME585872-C00149-133.0142233
Deoxyribose2-DeoxyriboseME585803-C01801-133.0506088
AsparagineAsparagineME585761-C00152-133.0607921
OrnithineOrnithineME585902-C00077-133.0971776
ThreonateThreonic acidME585982---135.0298734
SalicylamideSalicylamideME585963---136.0403785
HypoxanthineHypoxanthineME585861-C00262-137.0458108
TrigonellineTrigonellineME585986-C01004-138.0549785
PhosphoethanolaminePhosphoethanolamineME585938-C00346-142.0263943
StachydrineStachydrineME585977-C10172-144.1019287
alpha-Ketoglutarate2-Oxoglutaric acidME585754-C00026-145.0142233
N-AcetylserineN-AcetylserineME585893---146.0458578
4-Guanidinobutyric acid4-Guanidinobutanoic acidME585734-C01035-146.0924
4-Guanidinobutanoate4-Guanidinobutanoic acidME585733-C01035-146.0924266
AcetylcholineAcetylcholineME585741-C01996-146.1181
2-Hydroxyglutarate2-Hydroxyglutaric acidME585720-C01087-147.0298734
GlutamineGlutamineME585827-C00064-147.0764422
LysineLysineME585871-C00047-147.1128277
GlutamateGlutamic acidME585826-C00025-148.0604578
Pentoses-1-ME585933---149.0455
Pentoses-2-ME585934---149.0455
RiboseRiboseME585957-C00121-149.0455
MethionineMethionineME585874-C00073-150.0583493
XanthineXanthineME586001-C00385-151.0261254
GuanineGuanineME585845-C00242-152.0567098
OrotateOrotic acidME585903-C00295-155.0098066
HistidineHistidineME585855-C00135-156.0767765
AllantoinAllantoinME585753-C01551-157.0366901
OxoadipateOxoadipic acidME585905-C00322-159.029875
propionylcholinePropionylcholineME585944---160.1337
MethacholineMethacholineME585873---160.1337538
3-Hydroxymethylglutarate3-Hydroxymethylglutaric acidME585729-C03761-161.0455234
Carnitinamide-ME585769---161.129
N-AcetylcysteineN-AcetylcysteineME585884---162.0230138
AminoadipateAminoadipic acidME585755-C00956-162.0761078
CarnitineCarnitineME585770-C00318-162.1124934
QuinolinateQuinolinic acidME585956-C03722-166.0145577
MethylguanineMethylguanineME585876-C02242-166.0723599
PhenylalaninePhenylalanineME585935-C02057-166.0862786
PhosphoenolpyruvatePhosphoenolpyruvic acidME585937-C00074-166.9750744
UrateUric acidME585994-C00366-167.02104
CysteateCysteic acidME585792-C00506-167.997193
P-DMEAN,N-Dimethylethanolamine phosphateME585921-C13482-168.0430944
TaurocyamineTaurocyamineME585979-C01959-168.0438
DHAP-isomer-ME585833---168.9907
Dihydroxyacetone phosphateDihydroxyacetone phosphateME585805-C00111-168.9907245
3-Methylhistidine3-MethylhistidineME585717-C01152-170.0924
1-Methylhistidine1-MethylhistidineME585716-C01152-170.0924266
Glycerol 3-phosphatesn-Glycero-3-phosphateME585834-C00093-171.0063745
DecanoateCapric acidME585799-C01571-171.1390299
trans-Aconitatetrans-Aconitic acidME585985-C02341-173.0091379
N-AcetylasparagineN-AcetylasparagineME585882---173.0567568
N-AcetylornithineN-AcetylornithineME585892-C00437-173.0931
GlucuronolactoneGlucuronolactoneME585822-C02670-175.024788
AscorbateVitamin CME585760-C01041-175.0248
ArginineArginineME585759-C00062-175.1189757
N,N-Dimethyllysine-ME585880---175.1441278
N-FormylmethionineN-FormylmethionineME585898-C03145-176.0386639
GuanidinosuccinateGuanidinosuccinic acidME585844-C03139-176.0666058
CitrullineCitrullineME585786-C00327-176.1029913
HippurateHippuric acidME585853-C01586-178.0509432
MyoinositolMyo-inositolME585877-C00137-179.0560881
Hexose_RT7.2-ME585850---179.0561
Hexose_RT7.7-ME585851---179.0561
Hexose_RT8.7-ME585852---179.0561
HomovanillateHomovanillic acidME585857-C05582-181.0506088
HydroxyphenyllactateHydroxyphenyllactic acidME585859-C03672-181.0506088
SorbitolSorbitolME585974-C00794-181.0717
TyrosineTyrosineME585989-C01536-182.0811932
PhosphorylcholineCholine phosphateME585939-C00588-184.07334
2-/3-PhosphoglyceratePhosphoglyceric acidME585718-C00597/C00631 -184.9856391
AzelateAzelaic acidME585765-C08261-187.097559
Gly-LeuGly-LeuME585842---187.1087924
N-AcetylglutamineN-AcetylglutamineME585885---189.087
HomoarginineHomoarginineME585856-C01924-189.1346
N,N,N-TrimethyllysineN-6-TrimethyllysineME585878-C03793-189.1597779
N-AcetylmethionineN-AcetylmethionineME585890-C02712-190.054314
GalacturonateGalacturonic acidME585815-C08348-193.0353527
GluconateGluconic acidME585818-C00257-195.0510027
Erythrose 4-phosphateErythrose 4-phosphateME585810-C00279-199.0012892
SebacateSebacic acidME585964-C08277-201.11321
Ala-LeuAla-LeuME585750---201.1244424
N,N-DimethylarginineDimethylarginineME585879-C03626-203.150276
GlycylglutamineGly-GlnME585841---204.0979
AcetylcarnitineCAR 2:0ME585740-C02571-204.123058
TryptophanTryptophanME585987-C00078-205.0971776
HydroxycitrateGarcinia acidME585858---207.0146172
SaccharateGlucaric acidME585959-C00818-209.0303
SedoheptuloseGlucoheptuloseME585965-C08355-209.0667
KynurenineKynurenineME585866-C00328-209.0920923
PhosphocreatinePhosphocreatineME585936-C02305-210.0285
Indoxyl sulfateIndoxyl sulfateME585862-C08481-212.0022784
Deoxypentose monophosphates-ME585802-C16637-213.0169392
Glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME585836-C01233-214.0486
AcetylarginineN-AcetylarginineME585739---217.1295
N-AcetylcitrullineN-AcetylcitrullineME585883-C15532-218.1136
Carnitine (3:0)CAR 3:0ME585775-C03017-218.1387
N-AcetylhexosamineN-AcetylhexosamineME585887-C00140-222.0972372
CystathionineCystathionineME585791-C02291-223.0747276
CarnosineCarnosineME585781-C00386-227.1138903
Ribulose/Ribose/Xylulose 5-phosphate-ME585958-C00199/C00117/C00231-229.0118538
Leu-ProLeu-ProME585869---229.1546925
Leu-ValLeu-ValME585870---229.1557426
ErgothioneineErgothioneineME585809-C05570-230.0958
Asp-ProAsp-ProME585764---231.0975716
Carnitine (4:0)CAR 4:0ME585776---232.1543582
CystineCystineME585793-C01420-241.0311483
AnserineAnserineME585757-C01262-241.1295404
Fucose 1-phosphateFucose 1-phosphateME585814-C02985-243.0275039
UridineUridineME585995-C00299-243.0622361
CytidineCytidineME585794-C00475-244.0928205
Biotin amideBiotin amideME585768-C01893-244.1114475
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME585837---245.0431
Glu-ProGlu-ProME585825---245.1132216
Arg-AlaArg-AlaME585758---246.1560895
Carnitine (5:0)CAR 5:0ME585777---246.1700082
Val-LysVal-LysME586000---246.1812416
β-Hydroxycarnitine (4:0)-ME585725---248.1492728
GlutamylcysteineGlu-CysME585828---251.0696
Ala-TyrAla-TyrME585752---253.118307
5-Glutamyltaurine-ME585736-C05844-255.0645
Glucosamine 6-sulfateGlucosamine 6-sulfateME585820-C04132-258.0288871
Glucosamine 6-phosphateGlucosamine 6-phosphateME585819-C00352-258.0384029
Glycerophosphocholinesn-Glycero-3-phosphocholineME585835-C00670-258.1106
6-Phosphonogluconolactone-ME585738---259.0213685
Fructose 6-phosphateFructose 6-phosphateME585811-C00085-259.0224185
Glucose 6-phosphateGlucose 6-phosphateME585821-C00092-259.0224185
Carnitine (6:0)CAR 6:0ME585778---260.1856583
Glu-AspGlu-AspME585817---261.0728008
Ser-ArgSer-ArgME585967---262.1510041
β-Hydroxycarnitine (5:0)-ME585726---262.1649228
1,3/ 2,3-Bisphosphoglycerate-ME585715-C00236-264.952
InosineInosineME585863-C00294-267.0735175
AdenosineAdenosineME585743-C00212-268.1040539
6-Phosphogluconate6-Phosphogluconic acidME585737-C00345-275.0173331
Glu-GluGlu-GluME585824---275.0884509
Glu-GlnGlu-GlnME585823---276.1190353
Carnitine (glutaryl)-ME585780---276.144189
glutamyllysineGlu-LysME585829---276.1554
Thr-ArgThr-ArgME585981---276.1666542
β-Hydroxycarnitine (6:0)-ME585727---276.1805729
GuanosineGuanosineME585846-C00387-284.0989206
OrotidineOrotidineME585904-C01103-287.0521
GlycineamideribotideGARME585840---287.063878
OphthalmateOphthalmic acidME585901-C21016-288.1200854
Carnitine (8:0)CAR 8:0ME585779-C02838-288.2169584
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME585966-C05382-289.033
S-Methylthioadenosine5'-MethylthioadenosineME585973-C00170-298.0968601
Diphthamide-ME585807-C02872-298.1879147
N-Acetylhexosamine sulfate-ME585889-C03953-300.0394518
N-Acetylhexosamine phosphate-ME585888---300.0489676
SphingosineSphingosineME585976-C00319-300.2897
SphinganineSphinganineME585975-C00836-302.3053795
Cytidine cyclic phosphate-ME585795-C02354-304.0339863
β-Hydroxycarnitine (8:0)-ME585728---304.211873
Deoxycytidine monophosphatedCMPME585800-C00239-306.0496363
FA (20:2)Eicosadienoic acidME585812-C16525-307.2642304
GlutathioneGlutathioneME585831-C00051-308.091106
N-AcetylneuraminateN-Acetylneuraminic acidME585891-C00270-310.1132812
Carnitine (10:0)CAR 10:0ME585771---316.2483
Cytidine monophosphateCMPME585797-C00055-322.044551
Uridine monophosphateUMPME585997-C00105-323.0285665
Adenosine cyclic phosphate-ME585744-C02353-330.0598197
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME585838---333.059198
AspartylglycosamineAspartylglycosamineME585763---336.1401647
AICARAICARME585749-C04677-337.05545
Tyr-ArgTyr-ArgME585988---338.1823042
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME585813-C00354-338.9887489
2-Mannosyl-3-phosphoglycerate-ME585721-C16699-347.0384625
Inosine monophosphateIMPME585864-C00130-347.0397999
Adenosine monophosphateAMPME585746-C00020-348.0703843
Guanosine monophosphateGMPME585849-C00144-364.065251
SAICA-ME585962---375.1146
S-AdenosylhomocysteineS-AdenosylhomocysteineME585960-C00021-385.1288885
β-Hydroxycarnitine (14:0)-ME585723---388.3057734
Carnitine (16:1)CAR 16:1ME585772---398.3265089
S-AdenosylmethionineS-AdenosylmethionineME585961-C00019-399.14454
Cytidine diphosphateCDPME585796-C00112-402.0108814
Uridine diphosphateUDPME585996-C00015-402.9948969
β-Hydroxycarnitine (16:0)-ME585724---416.3370736
Deoxyguanosine diphosphatedGDPME585801-C00361-426.0221147
Carnitine (18:1)CAR 18:1ME585774---426.357809
Adenosine diphosphateADPME585745-C00008-428.0366667
Carnitine (18:0)CAR 18:0ME585773---428.3734591
CMP-2-aminoethylphosphonateCMPciliatineME585787-C05673-429.0581659
4alpha-Hydroxyformyl-4beta-methyl-5alpha-cholest-8...-ME585732---429.3727308
Guanosine diphosphateGDPME585847-C00035-442.0170294
CDP-ethanolamineCDP-EthanolamineME585782-C00570-445.0530805
Cytidine triphosphateCTPME585798-C00063 -481.9772
Uridine triphosphateUTPME585998-C00075-482.9612274
CiticolineCDP-cholineME585785-C00307-489.1146307
Adenosine triphosphateATPME585747-C00002-508.0029972
Platelet-activating factor-ME585942-C04598-524.3710896
ADP-riboseADP-riboseME585748-C00301-560.0789735
dTDP-glucosedTDP-glucoseME585808-C00842-563.0684558
UDP-glucoseUDP-glucoseME585991-C00029-565.0477204
UDP-D-galacturonate-ME585990-C00617-579.027
Guanosine diphosphate mannoseGDP-mannoseME585848-C00096-604.0698528
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME585992-C00043-606.0742695
Glutathione disulfideOxidized glutathioneME585832-C00127-613.1593
NAD+NADME585894-C00003-664.11642
NADHNADHME585895-C00004-664.1174717
SM (32:1)SM 32:1;O2ME585969---675.5435747
SM (34:1)SM 34:1;O2ME585970---703.5748748
PE (34:2)PE 34:2ME585923---716.5225053
PE (34:1)PE 34:1ME585922---718.5381554
SM (36:2)SM 36:2;O2ME585972---729.5905248
PC (32:2)PC 32:2ME585908---730.5381549
SM (36:1)SM 36:1;O2ME585971---731.6061754
PC (32:1)PC 32:1ME585907---732.553805
PC (32:0)PC 32:0ME585906---734.5694551
PE (36:3)PE 36:3ME585926---742.5381549
NADP+NADPME585896-C00006-744.082752
NADPHNADPHME585897-C00005-744.0838
PE (36:2)PE 36:2ME585925---744.553805
PE (36:1)PE 36:1ME585924---746.5694555
PS (34:2)PS 34:2ME585945---758.4977341
PC (34:2)PC 34:2ME585910---758.5694551
GlycineGlycineME585839-C00037-76.03932841
PC (34:1)PC 34:1ME585909---760.5851051
PE (38:6)PE 38:6ME585930---764.5225049
PE (38:5)PE 38:5ME585929---766.5381549
CoenzymeACoenzyme AME585788-C00010-768.1226
PE (38:4)PE 38:4ME585928---768.553805
PE (38:1)PE 38:1ME585927---774.6007552
PC (36:5)PC 36:5ME585914---780.553805
PS (36:4)PS 36:4ME585947---782.4977341
PC (36:4)PC 36:4ME585913---782.5694551
PC (36:2)PC 36:2ME585912---786.6007552
PS (36:1)PS 36:1ME585946---788.5446848
PC (36:1)PC 36:1ME585911---788.6164052
PE (40:7)PE 40:7ME585932---790.5381549
PE (40:5)PE 40:5ME585931---794.5694551
PS (38:6)PS 38:6ME585950---806.4977346
PS (38:5)PS 38:5ME585949---808.5133846
PC (38:5)PC 38:5ME585916---808.5851051
PI (32:0)PI 32:0ME585940---809.5185291
Acetyl-CoAAcetyl-CoAME585742-C00024-810.1330731
PC (38:4)PC 38:4ME585915---810.6007552
PS (38:3)PS 38:3ME585948---812.5446848
PC (40:8)PC 40:8ME585920---830.5694551
PS (40:7)PS 40:7ME585953---832.5133846
PS (40:6)PS 40:6ME585952---834.5290347
PC (40:6)PC 40:6ME585919---834.6007552
PS (40:5)PS 40:5ME585951---836.5446848
PC (40:5)PC 40:5ME585918---836.6164052
PC (40:4)PC 40:4ME585917---838.6320553
PyruvatePyruvic acidME585955-C00022-87.0087
LactateLactic acidME585867-C01432-89.02439406
AlanineAlanineME585751-C00041-90.05497847
beta-Alaninebeta-AlanineME585766-C00099-90.054979


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