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Analysis: CE POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
UreaUreaME554000---61.0400
Pyrazole1H-pyrazoleME554001---69.0451
3-Aminopropionitrile-ME554002---71.0612
MethylguanidineMethylguanidineME554003---74.0718
Isobutylamine-ME554004---74.0970
1,3-Diaminopropane1,3-DiaminopropaneME554005---75.0926
GlyGlycineME554006---76.0403
Trimethylamine N-oxideTrimethylamine N-oxideME554007---76.0767
IsopropanolamineIsopropanolamineME554008---76.0765
HydroxyureaHydroxyureaME554009---77.0347
TrimethylsulfoniumTrimethyl sulfoniumME554010---77.0428
CysteamineCysteamineME554011---78.0375
Isoamylamine3-Methyl-1-butylamineME554012---88.1128
Putrescine(1,4-Butanediamine)PutrescineME554013---89.1075
beta-Alabeta-AlanineME554014---90.0553
AlaAlanineME554015---90.0559
SarcosineSarcosineME554016---90.0555
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME554017---92.0710
AnilineAnilineME554018---94.0656
4-HydroxymethylimidazoleImidazole-4-methanolME554019---99.0556
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME554020---100.0762
CyclohexylamineCyclohexylamineME554021---100.1127
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME554022---102.0554
Betaine aldehydeBetaine aldehydeME554023---102.0905
SpermineSpermineME554024---102.1167
HexylamineHexylamineME554025---102.1284
CadaverineCadaverineME554026---103.1236
GABAgamma-Aminobutyric acidME554027---104.0708
3-Aminoisobutyrate3-Aminoisobutanoic acidME554028---104.0711
2AB2S-Aminobutyric acidME554029---104.0708
N-MethylalanineN-MethylalanineME554030---104.0710
N,N-DimethylglycineDimethylglycineME554031---104.0708
CholineCholineME554032---104.1072
2,3-Diaminopropionate2,3-Diaminopropionic acidME554033---105.0661
SerSerineME554034---106.0498
DiethanolamineDiethanolamineME554035---106.0867
N-MethylanilineN-MethylanilineME554036---108.0814
beta-Ala-Lys-ME554037---109.5799
HypotaurineHypotaurineME554038---110.0272
2-Aminophenol2-AminophenolME554039---110.0605
CytosineCytosineME554040---112.0509
HistamineHistamineME554041---112.0872
UracilUracilME554042---113.0344
CarnosineCarnosineME554043---114.0611
CreatinineCreatinineME554044---114.0664
MuscimolMuscimolME554045---115.0503
beta-CyanoalanineCyanoalanineME554046---115.0501
DihydrouracilDihydrouracilME554047---115.0385
ProProlineME554048---116.0712
GuanidinoacetateGuanidoacetic acidME554049---118.0611
5-Aminovalerate5-Aminopentanoic acidME554050---118.0866
ValValineME554051---118.0866
BetaineBetaineME554052---118.0864
Benzimidazole1H-BenzimidazoleME554053---119.0612
2,4-Diaminobutyrate2,4-Diaminobutyric acidME554054---119.0818
4-Amino-3-hydroxybutyrate-ME554055---120.0656
HomoserineHomoserineME554056---120.0657
Alpha-MethylserineAlpha-MethylserineME554057---120.0657
ThrThreonineME554058---120.0656
PurinePurineME554059---121.0517
AnserineAnserineME554060---121.0698
HomocarnosineHomocarnosineME554061---121.0697
BenzamidineBenzamidineME554062---121.0766
CysCysteineME554063---122.0277
BenzamideBenzamideME554064---122.0584
PhenethylaminePhenylethylamineME554065---122.0969
alpha-Methylbenzylamine-ME554066---122.0970
2,4-Dimethylaniline2,4-DimethylanilineME554067---122.0970
Isonicotinamide-ME554068---123.0556
NicotinamideNiacinamideME554069---123.0559
PicolinamidePicolinamideME554070---123.0556
N1-AcetylspermineN1-AcetylspermineME554071---123.1218
3-Chloroalanine-ME554072---124.0161
TaurineTaurineME554073---126.0220
5-Methylcytosine5-MethylcytosineME554074---126.0666
1-Methylhistamine1-MethylhistamineME554075---126.1033
Imidazole-4-acetateImidazoleacetic acidME554076---127.0505
ThymineThymineME554077---127.0510
MelamineMelamineME554078---127.0730
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME554079---130.0869
PipecolatePipecolic acidME554080---130.0868
MetforminMetforminME554081---130.1089
OctylamineOctylamineME554082---130.1598
N-AcetylputrescineN-AcetylputrescineME554083---131.1183
AgmatineAgmatineME554084---131.1297
HydroxyprolineHydroxyprolineME554085---132.0660
5-Aminolevulinate5-Amino-levulinic acidME554086---132.0661
CreatineCreatineME554087---132.0773
6-AminohexanoateAminocaproic acidME554088---132.1025
beta-Leucinebeta-LeucineME554089---132.1026
IleIsoleucineME554090---132.1024
LeuLeucineME554091---132.1024
Bis(3-aminopropyl)amineNorspermidineME554092---132.1503
Gly-GlyGly-GlyME554093---133.0632
AsnAsparagineME554094---133.0610
OrnithineOrnithineME554095---133.0972
AspAspartic acidME554096---134.0450
2-Aminobenzimidazole-ME554097---134.0719
HomocysteineHomocysteineME554098---136.0431
AdenineAdenineME554099---136.0625
HypoxanthineHypoxanthineME554100---137.0460
1-Methylnicotinamide1-Methyl nicotinamideME554101---137.0717
p-Aminobenzoatep-Aminobenzoic acidME554102---138.0550
TrigonellineTrigonellineME554103---138.0551
Anthranilate2-Aminobenzoic acidME554104---138.0552
Phenylethanolamine2-HydroxyphenethylamineME554105---138.0913
TyramineTyramineME554106---138.0916
UrocanateUrocanic acidME554107---139.0527
6-Hydroxynicotinate6-Hydroxynicotinic acidME554108---140.0345
TropinoneTropinoneME554109---140.1075
HistidinolL-HistidinolME554110---142.0979
TropinePseudotropineME554111---142.1236
EctoineEctoineME554112---143.0818
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME554113---144.0484
Proline betaineProline betaineME554114---144.1022
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME554115---144.1274
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME554116---146.0930
AcetylcholineAcetylcholineME554117---146.1209
gamma-Butyrobetaine3-DehydroxycarnitineME554118---146.1183
LysinamideLysinamideME554119---146.1293
SpermidineSpermidineME554120---146.1641
GlnGlutamineME554121---147.0764
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME554122---147.0925
LysLysineME554123---147.1129
TrientineTrientineME554124---147.1608
GluGlutamic acidME554125---148.0617
O-AcetylserineO-AcetylserineME554126---148.0609
NornicotineNornicotineME554127---149.1077
MetMethionineME554128---150.0585
3-Methyladenine3-MethyladenineME554129---150.0778
6-Methylaminopurine6-MethyladenineME554130---150.0776
GuanineGuanineME554131---152.0567
AmantadineLoratadineME554132---152.1444
XanthineXanthineME554133---153.0404
4-AminosalicylateAminosalicylic acidME554134---154.0501
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME554135---154.0502
DopamineDopamineME554136---154.0868
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME554137---154.0979
Pseudopelletierinepsi-PelletierineME554138---154.1232
HisHistidineME554139---156.0768
beta-ImidazolelactateImidazolelactic acidME554140---157.0625
Ibotenate-ME554141---159.0403
AllantoinAllantoinME554142---159.0507
Indole-3-acetaldehydeIndoleacetaldehydeME554143---160.0727
BetonicineBetonicineME554144---160.0972
N-AcetylvalineN-AcetylvalineME554145---160.0973
Ala-AlaAla-AlaME554146---161.0926
TryptamineTryptamineME554147---161.1080
alpha-AminoadipateAminoadipic acidME554148---162.0755
N-MethylglutamateN-Methyl-glutamic acidME554149---162.0763
Indole-3-ethanolTryptophanolME554150---162.0913
CarnitineCarnitineME554151---162.1127
2-Deoxystreptamine2-DeoxystreptamineME554152---163.1082
5-Hydroxylysine5-HydroxylysineME554153---163.1081
NicotineNicotineME554154---163.1240
PterinPterinME554155---164.0571
S-MethylmethionineS-MethylmethionineME554156---164.0739
Methionine sulfoxideMethionine sulfoxideME554157---166.0538
7-Methylguanine7-MethylguanineME554158---166.0726
3-Methylguanine3-MethylguanineME554159---166.0726
PhePhenylalanineME554160---166.0867
TaurocyamineTaurocyamineME554161---168.0497
PyridoxalPyridoxalME554162---168.0659
3-Methoxytyramine3-MethoxytyramineME554163---168.1024
SynephrineSynephrineME554164---168.1025
PyridoxaminePyridoxamineME554165---169.0981
PyridoxinePyridoxineME554166---170.0819
NoradrenalineXi-NorepinephrineME554167---170.0817
3-Methylhistidine3-MethylhistidineME554168---170.0925
Indole-3-acetamide1H-Indole-3-acetamideME554169---175.0854
N-AcetylornithineN-AcetylornithineME554170---175.1083
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME554171---175.1082
ArgArginineME554172---175.1198
Gramine-ME554173---175.1238
N-omega-MethyltryptamineN-MethyltryptamineME554174---175.1238
GuanidinosuccinateGuanidinosuccinic acidME554175---176.0667
Indole-3-acetateIndoleacetic acidME554176---176.0729
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME554177---176.0937
CitrullineCitrullineME554178---176.1026
CanavanineCanavanineME554179---177.0988
SerotoninSerotoninME554180---177.1023
AlliinAlliinME554181---178.0532
Cys-GlyCys-GlyME554182---179.0488
XanthopterinXanthopterinME554183---180.0516
Mannosamine2-Amino-2-deoxy-D-mannoseME554184---180.0869
GlucosamineGlucosamineME554185---180.0866
n-Butyl a-Picolinate-ME554186---180.1028
Methionine sulfoximineMethionine sulfoximineME554187---181.0649
TyrTyrosineME554188---182.0815
HarmanHarmanME554189---183.0929
PhosphorylcholineCholine phosphateME554190---184.0735
EpinephrineEpinephrineME554191---184.0972
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME554192---184.1088
N8-AcetylspermidineN8-AcetylspermidineME554193---188.1768
N1-AcetylspermidineN1-AcetylspermidineME554194---188.1770
Gly-LeuGly-LeuME554195---189.1244
N-epsilon-AcetyllysineN6-AcetyllysineME554196---189.1241
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME554197---189.1608
CastanospermineCastanospermineME554198---190.1080
5-Methoxytryptamine5-MethoxytryptamineME554199---191.1187
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME554200---192.0622
SAHS-AdenosylhomocysteineME554201---193.0700
GlucosaminateGlucosaminic acidME554202---196.0816
DOPADOPAME554203---198.0763
N-AcetylhistidineN-AcetylhistidineME554204---198.0880
SAM+S-AdenosylmethionineME554205---200.0775
Arginine ethyl esterEthyl arginateME554206---203.1519
ADMADimethylarginineME554207---203.1514
SDMASymmetric dimethylarginineME554208---203.1513
o-AcetylcarnitineCAR 2:0ME554209---204.1227
TrpTryptophanME554210---205.0973
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME554211---206.0814
KynurenineKynurenineME554212---209.0931
Cysteine-glutathione disulphide-ME554213---214.0532
DesthiobiotinDethiobiotinME554214---215.1386
o-Succinylhomoserineo-SuccinylhomoserineME554215---220.0816
trans-Zeatintrans-ZeatinME554216---220.1202
5-Hydroxytryptophan5-Hydroxy-tryptophanME554217---221.0926
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME554218---221.1136
N-AcetylglucosamineN-Acetyl-D-glucosamineME554219---222.0888
CystathionineCystathionineME554220---223.0754
3-HydroxykynurenineHydroxykynurenineME554221---225.0879
2'-DeoxycytidineDeoxycytidineME554222---228.0984
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME554223---230.1878
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME554224---233.1138
MelatoninMelatoninME554225---233.1286
SepiapterinSepiapterinME554226---238.0939
7,8-Dihydrobiopterin7,8-DihydrobiopterinME554227---240.1095
CystineCystineME554228---241.0314
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME554229---242.1146
ThymidineThymidineME554230---243.1182
CytidineCytidineME554231---244.0937
UridineUridineME554232---245.0801
OctopineOctopineME554233---247.1407
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME554234---249.0641
gamma-Glu-cysgamma-GlutamylcysteineME554235---251.0701
MuramateMuramic acidME554236---252.1084
5'-Deoxyadenosine5'-DeoxyadenosineME554237---252.1100
Purine ribosideNebularineME554238---253.0941
2'-DeoxyinosineDeoxyinosineME554239---253.0928
7,8-Dihydroneopterin7,8-DihydroneopterinME554240---256.1027
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME554241---258.1105
ThiamineThiamineME554242---265.1128
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME554243---266.1262
AdenosineAdenosineME554244---268.1051
2'-DeoxyguanosineDeoxyguanosineME554245---268.1046
HomocystineHomocystineME554246---269.0628
InosineInosineME554247---269.0885
Glu-GluGlu-GluME554248---277.1040
SaccharopineSaccharopineME554249---277.1404
1-Methyladenosine1-MethyladenosineME554250---282.1211
GuanosineGuanosineME554251---284.0999
XanthosineXanthosineME554252---285.0835
OphthalmateOphthalmic acidME554253---290.1358
ArgininosuccinateArgininosuccinic acidME554254---291.1310
5-Methylthioadenosine5'-MethylthioadenosineME554255---298.0973
Glutathione(ox)Oxidized glutathioneME554256---307.0861
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME554257---307.1784
3-IodotyrosineIodotyrosineME554258---307.9787
Glutathione(red)GlutathioneME554259---308.1027
Phe-PhePhe-PheME554260---313.1565
AICARAICARME554261---339.0717
Thiamine monophosphateThiamine monophosphateME554262---345.0793
TetrahydropalmatineTetrahydropalmatineME554263---356.1872
TRHThyrotropin releasing hormoneME554264---363.1793
RiboflavinRiboflavinME554265---377.1470
S-LactoylglutathioneS-LactoylglutathioneME554266---380.1132
Leu-Leu-TyrLeu-Leu-TyrME554267---408.2519
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME554268---433.8760
5-Methyltetrahydrofolate5-Methyl-THFME554269---460.1955
3,3',5-TriiodothyronineLiothyronineME554270---651.7976
NMNNicotinamide ribotideME554271---335.0647


Analysis: CE NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
G1PGlucose 1-phosphateME554272---259.0252
G6PGlucose 6-phosphateME554273---259.0243
F6PFructose 6-phosphateME554274---259.0249
F1,6PFructose 1,6-bisphosphateME554275---338.9905
DHAPDihydroxyacetone phosphateME554276---168.9918
Glycerophosphatesn-Glycero-3-phosphateME554277---171.0084
G3PGlyceraldehyde 3-phosphateME554278---168.9919
2,3-DPG2,3-Diphosphoglyceric acidME554279---264.9540
3PG3-Phosphoglyceric acidME554280---184.9872
2PG2-Phosphoglyceric acidME554281---184.9877
PEPPhosphoenolpyruvic acidME554282---166.9766
PyruvatePyruvic acidME554283---87.0104
LactateLactic acidME554284---89.0258
Glucosamine 6-phosphateGlucosamine 6-phosphateME554285---258.0404
Acetyl CoAAcetyl-CoAME554286---403.5589
CitrateCitric acidME554287---191.0216
cis-Aconitatecis-Aconitic acidME554288---173.0109
IsocitrateIsocitric acidME554289---191.0219
2-Oxoglutarate2-Oxoglutaric acidME554290---145.0155
2-Hydroxyglutarate2-Hydroxyglutaric acidME554291---147.0311
Succinyl CoASuccinyl-CoAME554292---432.5625
SuccinateSuccinic acidME554293---117.0204
FumarateFumaric acidME554294---115.0054
MalateMalic acidME554295---133.0156
6-Phosphogluconate6-Phosphogluconic acidME554296---275.0197
Ru5PRibulose 5-phosphateME554297---229.0140
R5PRibose 5-phosphateME554298---229.0132
S7PSedoheptulose 7-phosphateME554299---289.0356
GlyoxylateGlyoxylic acidME554300---72.9945
PropionatePropionic acidME554301---73.0303
GlycolateGlycolic acidME554302---75.0101
CrotonateCrotonic acidME554303---85.0310
ButyrateButyric acidME554304---87.0460
3-HydroxypropionateHydroxypropionic acidME554305---89.0256
MethanesulfonateMethanesulfonic acidME554306---94.9827
TiglateTiglic acidME554307---99.0460
2-Oxobutyrate3-Methyl pyruvic acidME554308---101.0261
PentanoateValeric acidME554309---101.0613
3-MethylbutanoateIsovaleric acidME554310---101.0611
MalonateMalonic acidME554311---103.0050
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME554312---103.0412
2-Hydroxybutyrate2-Hydroxybutyric acidME554313---103.0410
3-Hydroxybutyrate3-Hydroxybutyric acidME554314---103.0407
(Methylthio)acetate(Methylthio)acetic acidME554315---105.0023
GlycerateGlyceric acidME554316---105.0208
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME554317---110.0259
Methyl sulfateMethyl sulfateME554318---110.9770
2-Furoate2-Furoic acidME554319---111.0103
2-OxoisopentanoateKetoisovaleric acidME554320---115.0411
4-OxopentanoateLevulinic acidME554321---115.0408
HexanoateCaproic acidME554322---115.0766
2-Hydroxypentanoate2-Hydroxyvaleric acidME554323---117.0565
BenzoateBenzoic acidME554324---121.0316
NicotinateNicotinic acidME554325---122.0261
1-Aminoethylphosphonate-ME554326---124.0183
2-AminoethylphosphonateCiliatineME554327---124.0171
Isethionate2-HydroxyethanesulfonateME554328---124.9921
BarbiturateBarbituric acidME554329---127.0161
5-OxoprolinePyroglutamic acidME554330---128.0364
ItaconateItaconic acidME554331---129.0206
CitraconateCitraconic acidME554332---129.0203
4-Methyl-2-oxopentanoateKetoleucineME554333---129.0567
4-Oxohexanoate-ME554334---129.0567
4-Acetylbutyrate5-Ketocaproic acidME554335---129.0563
HeptanoateHeptylic acidME554336---129.0937
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME554337---130.0521
GlutarateGlutaric acidME554338---131.0359
3-UreidopropionateUreidopropionic acidME554339---131.0468
2-Hydroxy-4-methylpentanoateD-Leucic acidME554340---131.0724
6-Hydroxyhexanoate6-Hydroxycaproic acidME554341---131.0718
ThreonateThreonic acidME554342---135.0314
o-HydroxybenzoateSalicylic acidME554343---137.0261
p-Hydroxybenzoate4-Hydroxybenzoic acidME554344---137.0249
m-Hydroxybenzoate3-Hydroxybenzoic acidME554345---137.0262
PhosphonoacetatePhosphonoacetateME554346---138.9825
CarbamoylphosphateCarbamoylphosphateME554347---139.9770
Ethanolamine phosphatePhosphoethanolamineME554348---140.0129
2-Thiopheneacetate2-Thienylacetic acidME554349---141.0041
OctanoateCaprylic acidME554350---143.1084
AdipateAdipic acidME554351---145.0515
threo-beta-methylaspartate-ME554352---146.0475
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME554353---147.0179
CitramalateCitramalic acidME554354---147.0312
trans-Cinnamatetrans-Cinnamic acidME554355---147.0469
TartrateTartaric acidME554356---149.0104
BenzoylformatePhenylglyoxylic acidME554357---149.0255
3-PhenylpropionateHydrocinnamic acidME554358---149.0616
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME554359---151.0418
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME554360---151.0412
Cysteine sulfinate3-Sulfino-alanineME554361---152.0039
2,5-DihydroxybenzoateGentisic acidME554362---153.0202
OrotateOrotic acidME554363---155.0109
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME554364---155.0115
Dihydroorotate4,5-Dihydroorotic acidME554365---157.0270
2-Oxooctanoate-ME554366---157.0888
PelargonatePelargonic acidME554367---157.1247
2-OxoadipateOxoadipic acidME554368---159.0311
PimelatePimelic acidME554369---159.0673
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME554370---159.1039
N-FormylaspartateN-Formyl-aspartic acidME554371---160.0270
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME554372---161.0476
PhenylpyruvatePhenylpyruvic acidME554373---163.0409
p-Coumaratecis-p-Coumaric acidME554374---163.0416
o-Coumaratetrans-o-Coumaric acidME554375---163.0415
TerephthalateTerephthalic acidME554376---165.0207
PhthalatePhthalic acidME554377---165.0206
3-PhenyllactatePhenyllactic acidME554378---165.0571
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME554379---165.0569
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME554380---165.0572
2,3-PyridinedicarboxylateQuinolinic acidME554381---166.0158
UrateUric acidME554382---167.0229
4-Hydroxymandelate4-Hydroxymandelic acidME554383---167.0367
CysteateCysteic acidME554384---167.9993
2-Amino-3-phosphonopropionate-ME554385---168.0085
DecanoateCapric acidME554386---171.1404
2-QuinolinecarboxylateQuinaldic acidME554387---172.0412
N-AcetylleucineN-AcetylleucineME554388---172.0991
Phenyl phosphatePhenyl phosphateME554389---173.0025
trans-Aconitatetrans-Aconitic acidME554390---173.0106
ShikimateShikimic acidME554391---173.0469
N-AcetylaspartateN-Acetylaspartic acidME554392---174.0426
CarbamoylaspartateCarbamoylaspartateME554393---175.0373
AllantoateAllantoic acidME554394---175.0486
2-Isopropylmalate2-Isopropylmalic acidME554395---175.0628
N-FormylmethionineN-FormylmethionineME554396---176.0401
HippurateHippuric acidME554397---178.0529
HomovanillateHomovanillic acidME554398---181.0515
4-Pyridoxate4-Pyridoxic acidME554399---182.0477
Serine O-sulfateSerine-O-sulfateME554400---183.9931
O-PhosphoserineDL-O-PhosphoserineME554401---184.0035
UndecanoateUndecylic acidME554402---185.1566
AzelateAzelaic acidME554403---187.0996
10-Hydroxydecanoate10-Hydroxydecanoic acidME554404---187.1361
N-AcetylglutamateN-Acetylglutamic acidME554405---188.0584
N-CarbamylglutamateCarglumic acidME554406---189.0531
N-AcetylmethionineN-AcetylmethionineME554407---190.0563
QuinateQuinic acidME554408---191.0579
PhenaceturatePhenylacetylglycineME554409---192.0683
GlucuronateGlucuronic acidME554410---193.0365
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME554411---193.0511
o-HydroxyhippurateSalicyluric acidME554412---194.0479
GluconateGluconic acidME554413---195.0526
SyringateSyringic acidME554414---197.0461
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME554415---197.0475
DodecanoateLauric acidME554416---199.1723
Cysteine S-sulfateCysteine-S-sulfateME554417---199.9708
SebacateSebacic acidME554418---201.1152
3-Indolebutyrate3-Indolebutyric acidME554419---202.0891
XanthurenateXanthurenic acidME554420---204.0323
N-AcetylphenylalanineN-AcetylphenylalanineME554421---206.0844
Benzylsuccinate(R)-2-Benzylsuccinic acidME554422---207.0683
SaccharateGlucaric acidME554423---209.0323
MucateGalactaric acidME554424---209.0324
3-Indoxyl sulfateIndoxyl sulfateME554425---212.0049
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME554426---213.0184
PantothenatePantothenic acidME554427---218.1050
SinapateSinapic acidME554428---223.0633
PorphobilinogenPorphobilinogenME554429---225.0900
DodecanedioateDodecanedioic acidME554430---229.1468
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME554431---243.0291
BiotinBiotinME554432---243.0831
Sorbitol 6-phosphatePseudouridineME554433---261.0398
Galacturonate 1-phosphate-ME554434---273.0043
N-AcetylmuramateN-Acetylmuramic acidME554435---292.1059
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME554436---300.0515
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME554437---300.0511
2',3'-cCMP2',3' cyclic CMPME554438---304.0362
dCMPdCMPME554439---306.0521
dUMPdUMPME554440---307.0359
N-AcetylneuraminateN-Acetylneuraminic acidME554441---308.1011
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME554442---308.9805
3',5'-Cyclic dAMP-ME554443---312.0528
dTMPdTMPME554444---321.0517
CMPCMPME554445---322.0473
UMPUMPME554446---323.0298
cAMP3',5' cyclic AMPME554447---328.0476
cIMP-ME554448---329.0314
dAMPdAMPME554449---330.0637
cGMP3',5' cyclic GMPME554450---344.0424
3'-AMP3'-AMPME554451---346.0582
AMPAMPME554452---346.0583
IMPIMPME554453---347.0419
Prostaglandin E2PGE2ME554454---351.2202
Prostaglandin F2alphaPGF2alphaME554455---353.2361
GMPGMPME554456---362.0536
XMPXMPME554457---363.0374
Orotidine 5'-monophosphateOrotidylic acidME554458---367.0210
DigalacturonateDigalacturonic acidME554459---369.0700
NADPHNADPHME554460---371.5417
CoACoenzyme AME554461---382.5540
dCDPdCDPME554462---386.0180
dUDPdUDPME554463---387.0024
PRPPPhosphoribosyl pyrophosphateME554464---388.9492
dTDPdTDPME554465---401.0183
CDPCDPME554466---402.0135
UDPUDPME554467---402.9973
CholateCholic acidME554468---407.2830
dADPdADPME554469---410.0296
P1, P4-Di(adenosine-5') tetraphosphate-ME554470---417.0205
Isobutyryl CoAIsobutyryl-CoAME554471---417.5757
Trehalose 6-phosphateTrehalose 6-phosphateME554472---421.0779
Malonyl CoAMalonyl-CoAME554473---425.5549
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME554474---426.0152
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME554475---426.0243
ADPADPME554476---426.0246
IDPIDPME554477---427.0081
FolateFolic acidME554478---440.1351
GDPGDPME554479---442.0186
AdenylosuccinateAdenylsuccinic acidME554480---462.0698
GlycocholateGlycocholic acidME554481---464.3048
dCTPdCTPME554482---465.9843
dUTPdUTPME554483---466.9686
dTTPdTTPME554484---480.9846
CTPCTPME554485---481.9799
UTPUTPME554486---482.9638
dATPdATPME554487---489.9963
dITPdITPME554488---490.9797
ATPATPME554489---505.9911
dGTPdGTPME554490---505.9910
ITPITPME554491---506.9748
TaurocholateTaurocholic acidME554492---514.2870
GTPGTPME554493---521.9859
XTPXanthosine 5-triphosphateME554494---522.9701
CDP-cholineCDP-cholineME554495---547.1251
ADP-riboseADP-riboseME554496---558.0673
TDP-glucosedTDP-glucoseME554497---563.0702
UDP-glucoseUDP-glucoseME554498---565.0504
UDP-glucuronateUDP-glucuronic acidME554499---579.0294
ADP-glucoseADP-glucoseME554500---588.0788
GDP-mannoseGDP-mannoseME554501---604.0732
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME554502---606.0771
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME554503---613.1423
NAD+NAD+ME554504---662.1037
Deamido-NAD+Nicotinic acid adenine dinucleotideME554505---663.0900
NADHNADHME554506---664.1170
NADP+NADP+ME554507---742.0711
FADFADME554508---784.1531


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