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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
5-Aminovaleric acid5-Aminopentanoic acidME780298---101
O-Succinyl-L-homoserineo-SuccinylhomoserineME780445---102
Methionine sulfoximineMethionine sulfoximineME780402---102.1
L-CarnitineCarnitineME780370---103
TyramineTyramineME780332---103
L-MethionineMethionineME780351---104
L-2-Aminobutyric acid2S-Aminobutyric acidME780282---104.07
PhenylethylaminePhenylethylamineME780303---105
Nicotinamide N-oxideNicotinamide N-oxideME780334---106
TaurineTaurineME780307---108
5-Methylcytosine5-MethylcytosineME780306---109
AnserineAnserineME780457---109
MaltolMaltolME780308---109
TestosteroneTestosteroneME780487---109.3
1-Methylxanthine1-MethylxanthineME780379---110
L-CarnosineCarnosineME780452---110
ThymineThymineME780309---110
AcetaminophenAcetaminophenME780352---110.1
Cytidine-5'-monophosphateCMPME780503---112
CytidineCytidineME780459---112.1
2-Aminooctanoic acid2-Aminocaprylic acidME780364---114
N-AcetylputrescineN-AcetylputrescineME780315---114
Aminocaproic acidAminocaproic acidME780321---114.1
N-AcetylornithineN-AcetylornithineME780388---115
GlycylprolineGly-ProME780385---116
XylitolXylitolME780357---117.1
gamma-L-Glutamyl-L-valine-ME780462---118
Indole-3-carboxylic acidIndole-3-carboxylic acidME780368---118
Indole-3-lactic acidIndole-3-lactic acidME780435---118
AdenineAdenineME780326---119
HypoxanthineHypoxanthineME780329---119.04
Cysteine-S-sulfateCysteine-S-sulfateME780427---120
L-alpha-Aspartyl-L-phenylalanine-ME780481---120
L-PhenylalaninePhenylalanineME780376---120
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME780436---120
GlycylphenylalanineGly-PheME780448---120.2
HordenineHordenineME780374---121
HydrocortisoneCortisolME780513---121
Urocanic acidUrocanic acidME780335---121
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME780336---122
ThiamineThiamineME780472---122
Nicotinamide mononucleotideNicotinamide ribotideME780505---123
3-Methyladenine3-MethyladenineME780350---123.07
7-Methylxanthine7-MethylxanthineME780378---124
HistidinolL-HistidinolME780337---124
ParaxanthineParaxanthineME780399---124.1
Glycerophosphocholinesn-Glycero-3-phosphocholineME780467---125
3,7-Dimethyluric acid3,7-Dimethyluric acidME780424---126
N-AcetylglucosaminylasparagineAspartylglycosamineME780506---126
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME780458---126.1
5-Methylcytidine5-MethylcytidineME780465---126.1
AcadesineAICARME780469---127
N-3-MethyluridineN-3-MethyluridineME780468---127
2-Thiocytidine-ME780470---128
5-Hydroxylysine5-HydroxylysineME780373---128
Quinoline-2-carboxylic acidQuinaldic acidME780387---128
SorbitolSorbitolME780404---129
3-Indolepropionic acid3-Indolepropionic acidME780414---130
Indole-3-acetic acidIndoleacetic acidME780390---130
L-GlutamineGlutamineME780346---130
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME780413---130
N-AcetylglutamineN-AcetylglutamineME780410---130
2-Amino-2-deoxy-D-gluconic acid-ME780422---132
Glycyl-L-LeucineGly-LeuME780409---132
ScopoletinScopoletinME780419---133
Guanidinosuccinic acidGuanidinosuccinic acidME780392---134
L-CystathionineCystathionineME780447---134
PyridoxinePyridoxineME780382---134
4,6-Dihydroxyquinoline4,6-DihydroxyquinolineME780367---134.06
2-Phenylglycine2-PhenylglycineME780354---135
GuanineGuanineME780353---135
Nicotinuric acidNicotinuric acidME780401---135
ResveratrolResveratrolME780453---135
3-Iodo-L-tyrosine-ME780497---135.1
2'-DeoxyadenosineDeoxyadenosineME780464---136
5'-Deoxy-5'-methylthioadenosine5'-MethylthioadenosineME780491---136
AdenosineAdenosineME780474---136
Adenosine monophosphateAMPME780509---136
L-Cysteinesulfinic acid3-Sulfino-alanineME780361---136
L-HomocystineHomocystineME780476---136
N-Acetyl-L-tyrosineN-AcetyltyrosineME780449---136
OxypurinolOxypurinolME780356---136
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME780515---136
Inosinic acidIMPME780510---137
DopamineDopamineME780360---137.1
N-Acetyl-D-GlucosamineN-AcetylglucosamineME780446---138
TheobromineTheobromineME780400---138
CaffeineCaffeineME780420---138.1
1,7-Dimethyluric acid1,7-Dimethyluric acidME780423---140
5-hydroxymethyl-2'-deoxycytidine-ME780466---142
5-Hydroxymethylcytidine-ME780478---142.1
2-indolecarboxylic acid-ME780369---144
3-Indoleglyoxylic acid-ME780415---144
NicotyrineNicotyrineME780363---144
TryptamineTryptamineME780365---144
L-HomoarginineHomoarginineME780412---144.1
O-AcetylcarnitineCAR 2:0ME780430---145
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME780418---146
Methyl vitamin B12-ME780527---147.3
7-Methylguanine7-MethylguanineME780375---149
1-Methyladenosine1-MethyladenosineME780482---150
gamma-Glutamylmethioninegamma-GlutamylmethionineME780480---150
PyridoxalPyridoxalME780380---150
6-Methyladenine6-MethyladenineME780349---150.08
Acetaminophen glucuronidep-AcetamidophenylglucuronideME780504---152
GuanosineGuanosineME780484---152
PyridoxaminePyridoxamineME780381---152
2'-O-methylguanosine2'-O-MethylguanosineME780492---152.1
MercaptopurineMercaptopurineME780355---153.02
N-AcetylcarnosineN-AcetylcarnosineME780475---156.1
5-Methoxytryptamine5-MethoxytryptamineME780417---159
L-CitrullineCitrullineME780391---159
PropionylcarnitineCAR 3:0ME780439---159.1
SerotoninSerotoninME780394---160
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME780434---160.1
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME780440---160.1
RetinalRetinalME780485---161
TretinoinRetinoic acidME780496---161
D-GlucosamineGlucosamineME780396---162
5-Hydroxytryptophan5-Hydroxy-tryptophanME780431---162.1
D-GalactosamineGalactosamineME780397---162.1
D-Mannosamine2-Amino-2-deoxy-D-mannoseME780395---162.1
CarbocysteineS-Carboxymethyl-cysteineME780398---163
CortisoneCortisoneME780512---163.1
L-NicotineNicotineME780372---163.12
7-Methylguanosine7-MethylguanosineME780493---166
EpinephrineEpinephrineME780407---166
NormetanephrineNormetanephrineME780406---166
ThreonylphenylalanineThr-PheME780473---166.1
8-Hydroxyguanosine8-HydroxyguanosineME780494---168.1
8-Hydroxy-2'-deoxyguanosine-ME780483---168.4
HomocitrullineHomocitrullineME780416---173
N,N-Dimethyl-5-methoxytryptamine-ME780441---174
MelatoninMelatoninME780455---174.1
N,N-DimethylguanosineN2,N2-DimethylguanosineME780500---180
3-NitrotyrosineNitrotyrosineME780451---181
L-DopaDOPAME780426---181
SelenomethionineSelenomethionineME780425---181
Indole-3-butyric acid3-Indolebutyric acidME780429---186
Abrine-ME780442---188
L-TryptophanTryptophanME780432---188
PanthenolPantothenolME780433---188.13
6-Hydroxymelatonin6-HydroxymelatoninME780463---190.1
KynurenineKynurenineME780437---192
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME780438---196
PiperinePiperineME780486---201
gamma-Glutamylalaninegamma-GlutamylalanineME780443---202
Pantothenic acidPantothenic acidME780444---202
N,N-DimethylarginineDimethylarginineME780428---203.1
3-HydroxykynurenineHydroxykynurenineME780450---208
PseudouridinePseudouridineME780460---209
L-SaccharopineSaccharopineME780479---213.1
5-Methoxytryptophan5-MethoxytryptophanME780456---218
Thiamine monophosphateThiamine monophosphateME780507---224
Menatetrenone-ME780520---225
BiotinBiotinME780461---227
TrimethoprimTrimethoprimME780489---230
GlutathioneGlutathioneME780498---233.1
D-Glucosamine-6-sulfateGlucosamine 6-sulfateME780471---242.1
RiboflavinRiboflavinME780514---243
S-AdenosylmethionineS-AdenosylmethionineME780516---250
DehydroepiandrosteroneDehydroepiandrosteroneME780488---253
EstroneEstroneME780477---253.2
CiticolineCDP-cholineME780523---264
N-Acetyl-Neuraminic AcidN-Acetylneuraminic acidME780499---274
GalactosylsphingosinePsychosineME780522---282.3
Folic AcidFolic acidME780519---295
BiliverdinBiliverdinME780525---297
5alpha-Pregnane-3,20-dione5alpha-Pregnane-3,20-dioneME780502---299
L-GlycineGlycineME780271---30
PyrrolidinePyrrolidineME780267---30
AdrenosteroneAdrenosteroneME780495---301.18
Acetyl coenzyme AAcetyl-CoAME780531---303
Thiamine pyrophosphateThiamine diphosphateME780518---304
Propionyl-CoAPropionyl-CoAME780532---317
CorticosteroneCorticosteroneME780508---329
CyanocobalaminCyanocobalaminME780528---359.2
7-Ketocholesterol7-Oxo-cholesterolME780517---383
ImidazoleImidazoleME780266---42
Isoamylamine3-Methyl-1-butylamineME780272---43
Flavin mononucleotideFMNME780521---439
L-AlanineAlanineME780275---44
O-PhosphoethanolaminePhosphoethanolamineME780338---44
SarcosineSarcosineME780274---44
UreaUreaME780264---44
EthanolamineEthanolamineME780265---44.2
3,5-Diiodo-L-thyronine3,5-DiiodothyronineME780524---480
Nicotinamide adenine dinucleotide phosphateNADPME780529---508
NADPHNADPHME780530---509
NAD+NADME780526---524
2-Piperidone2-PiperidinoneME780278---56
ButylamineButylamineME780268---57
BetaineBetaineME780294---58
N,N-DimethylglycineDimethylglycineME780281---58
1-Aminopropan-2-ol-ME780269---58.1
2-Aminoisobutyric acidAminoisobutyric acidME780283---58.2
Trimethylamine N-oxideTrimethylamine N-oxideME780270---59
CholineCholineME780280---60
L-SerineSerineME780287---60
GlyceraldehydeGlyceraldehydeME780277---65
HydroxyprolineHydroxyprolineME780319---68
MannitolMannitolME780405---69
MevalonolactoneMevalonolactoneME780314---69.1
L-ArginineArginineME780389---70
L-Argininosuccinic AcidArgininosuccinic acidME780490---70
L-OrnithineOrnithineME780323---70
L-ProlineProlineME780292---70
Morpholine-ME780273---70
MetforminMetforminME780311---71.1
AgmatineAgmatineME780316---72
beta-Alaninebeta-AlanineME780276---72
L-ValineValineME780296---72
NorvalineNorvalineME780295---72.1
S-Methyl-L-cysteineMethylcysteineME780327---73
L-AsparagineAsparagineME780322---74
L-HomoserineHomoserineME780301---74
L-ThreonineThreonineME780300---74
Methionine sulfoxideMethionine sulfoxideME780377---74
CystamineCystamineME780358---76
IsobutyrylglycineIsobutyrylglycineME780343---76
N-AcetylglycineN-AcetylglycineME780297---76
N-Propionylglycine-ME780318---76
L-AllothreonineAllothreonineME780299---79
CotinineCotinineME780393---80
NicotinamideNiacinamideME780304---80
Nicotinic acidNicotinic acidME780305---80
N-MethylnicotinamideN-MethylnicotinamideME780328---80
Imidazoleacetic acidImidazoleacetic acidME780310---81
TiglylglycineTiglylglycineME780362---83
CyclohexylamineCyclohexylamineME780279---83.1
1,1-Dimethyl-prolinium-ME780340---84
L-Glutamic acidGlutamic acidME780348---84
L-LysineLysineME780347---84
L-Pipecolic acidPipecolic acidME780312---84
L-Pyroglutamic acidPyroglutamic acidME780313---84
N6-Acetyl-L-lysineN6-AcetyllysineME780411---84
3-Aminoisobutyric acid3-Aminoisobutanoic acidME780284---86
4-Acetamidobutyric acid4-Acetamidobutanoic acidME780344---86
Acetylleucine-ME780386---86
CreatinineCreatinineME780291---86
Leucyl-ValineLeu-ValME780454---86
L-LeucineLeucineME780317---86
N-AcetylcadaverineN-AcetylcadaverineME780341---86
4-Aminobutyric acid4-Aminopentanoic acidME780285---87
4-(Trimethylammonio)butanoate3-DehydroxycarnitineME780345---87
AcetylcholineAcetylcholineME780342---87
L-Aspartic acidAspartic acidME780324---88
O-Phospho-L-SerinePhosphoserineME780408---88
DiethanolamineDiethanolamineME780286---88.1
CreatineCreatineME780320---90
D-Alanyl-D-alanineD-Alanyl-D-AlanineME780366---90
Homocysteine thiolactoneL-Homocysteine thiolactoneME780293---90.1
2-Phenylacetamide2-PhenylacetamideME780325---91
Hydroxytyrosol-ME780331---91
L-TyrosineTyrosineME780403---91
OctopamineOctopamineME780359---91
O-Benzyl-L-serine-ME780421---91.1
HypotaurineHypotaurineME780288---92
1-Methylnicotinamide1-Methyl nicotinamideME780330---94
PurinePurineME780302---94
TrigonellineTrigonellineME780333---94
CytosineCytosineME780289---95
HistamineHistamineME780290---95
N-(2-Furoyl)glycine2-FuroylglycineME780383---95
Chenodeoxycholic acidChenodeoxycholic acidME780511---95.1
3-Methylhistidine3-MethylhistidineME780384---96.1
ProgesteroneProgesteroneME780501---97
EctoineEctoineME780339---97.1
L-2-Aminoadipic?AcidAminoadipic acidME780371---98.1


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME780669---100
1,5-Anhydro-D-Glucitol1,5-AnhydrosorbitolME780612---101
2-Ketoglutaric?Acid2-Oxoglutaric acidME780581---101
2-Methylglutaric acid2-Methylglutaric acidME780579---101
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME780560---101
GalactitolGalactitolME780650---101
2-Oxohexanoic acid2-Ketocaproic acidME780559---101.3
gamma-Carboxyglutamic acidgamma-Carboxy-glutamic acidME780659---102
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME780658---102.05
2-dehydro-D-gluconic acid2-Dehydro-D-gluconic acidME780666---103
trans-Cinnamic acidtrans-Cinnamic acidME780583---103
5-Hydroxyindole5-HydroxyindoleME780572---104
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME780591---107
3-Methoxybenzoic acid-ME780592---107
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME780639---107
Mandelic acidMandelic acidME780594---107.05
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME780596---108
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME780558---108
o-Methoxyphenyl sulfate-ME780674---108
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME780597---109
2,4-Dihydroxybenzoic acid-ME780599---109
3,5-Dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME780600---109
Gentisic acidGentisic acidME780598---109
N4-AcetylcytidineN4-AcetylcytidineME780698---109
Citric AcidCitric acidME780661---111
Isocitric acidIsocitric acidME780662---111
Orotic acidOrotic acidME780601---111
Suberic acidSuberic acidME780628---111
Uridine-5'-diphosphateUDPME780724---111
p-Cresol glucuronideP-Cresol glucuronideME780697---113
2-Isopropylmalic acid2-Isopropylmalic acidME780632---115
3-Methyladipic acid3-Methyladipic acidME780604---115
L-Malic acidMalic acidME780573---115
N-AcetylserineN-AcetylserineME780582---116
Atrolactic acid-ME780614---121
DesaminotyrosineDesaminotyrosineME780616---121
Terephthalic acidTerephthalic acidME780617---121
3-(3-Hydroxyphenyl)propanoic acid3-(3-Hydroxyphenyl)propanoic acidME780615---121.06
3-Methylxanthine3-MethylxanthineME780613---122
Quinolinic acidQuinolinic acidME780618---122
4-(Methylthio)benzoic acid-ME780619---123
Homogentisic acidHomogentisic acidME780621---123
Pyrogallol-1-O-sulphate-ME780677---123
Uric acidUric acidME780623---124
2-Methylcitric acid2-Methylcitric acidME780679---125
Gallic acidGallic acidME780626---125
Azelaic acidAzelaic acidME780655---125.1
Formiminoglutamic acidFormiminoglutamic acidME780629---128
Spaglumic acidN-Acetyl-Asp-GluME780701---128
cis-Aconitic acidcis-Aconitic acidME780630---129
GluconolactoneGluconolactoneME780636---129
TryptopholTryptophanolME780606---130
N-carbamoyl-L-aspartateCarbamoylaspartateME780634---132
3-Methoxytyrosine3-MethoxytyrosineME780681---134
Cyclic AMP3',5' cyclic AMPME780704---134
Hippuric acidHippuric acidME780638---134
Caffeic acidCaffeic acidME780645---135
InosineInosineME780695---135
Inosine diphosphateIDPME780731---135
Methyl salicylate-ME780590---136
Homovanillic acidHomovanillic acidME780640---137
Vanillylmandelic acidVanillylmandelic acidME780672---137
3-Methyluric acid3-Methyluric acidME780649---138
4-Pyridoxic acid4-Pyridoxic acidME780651---138
Sebacic acidSebacic acidME780673---139.1
3-Indoleacrylic AcidIndoleacrylic acidME780653---142
2-Hydroxyadipic acid2-Hydroxyadipic acidME780608---143
alpha-Cyano-4-hydroxycinnamic acid-ME780656---144
Kynurenic acidKynurenic acidME780657---144
4-Methylhippuric acid-ME780664---148.1
Aminohippuric acidAminohippuric acidME780665---149
2'-Deoxyguanosine 5'-monophosphatedGMPME780712---150
Cyclic guanosine monophosphate3',5' cyclic GMPME780711---150
ThymidineThymidineME780690---151
Dopamine 3-O-sulfateDopamine 3-O-sulfateME780688---152
Dopamine 4-O-sulfate-ME780689---152
Adenosine-5'-triphosphateATPME780743---158.8
2'-Deoxycytidine diphosphatedCDPME780719---159
Cytidine-5'-triphosphateCTPME780739---159
Guanosine-5'-diphosphateGDPME780732---159
Thymidine-5'-diphosphate-ME780722---159
CinnamoylglycineCinnamoylglycineME780675---160
Methyl hippurateMethyl hippurateME780663---160
Xanthurenic acidXanthurenic acidME780676---160
CellobioseCellobioseME780707---160.98
LactoseLactoseME780709---160.98
AcarboseAcarboseME780751---160.99
InositolInositolME780647---161
Orsellinic acid-ME780620---167.03
p-Hydroxymandelic acid4-Hydroxymandelic acidME780622---167.03
Thioctic acid-ME780678---171.1
SucroseSucroseME780706---179.08
TrehaloseTrehaloseME780708---179.08
1,3-Dimethyluric-Acid1,3-Dimethyluric acidME780670---180
AldosteroneAldosteroneME780715---189.1
Thymidine-5'-phosphatedTMPME780703---195
N-Acetyl-D-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME780700---199
UridineUridineME780691---200
Guanosine-5'-monophosphateGMPME780716---211
Xanthylic acid (XMP)-ME780717---211
Dodecanedioic acidDodecanedioic acidME780685---211.1
RaffinoseRaffinoseME780742---221.12
Myristic acidMyristic acidME780683---227.2
Trehalose-6-phosphateTrehalose 6-phosphateME780728---241
alpha-Linolenic acidalpha-Linolenic acidME780696---259.21
Hexadecanedioic acidHexadecanedioic acidME780699---267.2
NaringinNaringinME780746---271
Prostaglandin E2PGE2ME780713---271
Nutriacholic acid7-Ketolithocholic acidME780720---273
BilirubinBilirubinME780748---285
3-Oxocholic acid3-Dehydrocholic acidME780725---289
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME780726---289
Glutathione DisulfideOxidized glutathioneME780750---306
Prostaglandin D1PGD1ME780714---317.2
Pyruvic acid?Pyruvic acidME780534---32
UDP-D-glucoseUDP-glucoseME780745---323
Adenosine-5'-diphosphateADPME780729---328
MaltotetraoseMaltotetraoseME780753---341.08
Cholic acidCholic acidME780727---343
Deoxycholic acidDeoxycholic acidME780721---345.2
2'-Deoxyuridine 5'-triphosphatedUTPME780736---369
Lithocholic acidLithocholic acidME780718---375.3
Thymidine-5-triphosphateTMPME780738---383
Cytidine-5'-diphosphateCDPME780723---384
1,4-Dihydronicotinamide adenine dinucleotide-ME780752---397
Glycodeoxycholic acidGlycodeoxycholic acidME780733---402
Uridine diphosphate glucuronic acidUDP-glucuronic acidME780747---403
2'-Deoxyguanosine-5'-diphosphatedGDPME780730---408
Enoxolone-ME780737---425
Lactic acidLactic acidME780536---43
Flavin adenine dinucleotideFADME780754---437
GDP-L-FucoseGDP-L-fucoseME780749---442
3-(Methylthio)propionate3-Methyl-thiopropionic acidME780553---47
Glycolic AcidGlycolic acidME780533---47
2-Hydroxybutyric acid2-Hydroxybutyric acidME780538---57
Acetoacetic acidAcetoacetic acidME780537---57
3-Hydroxybutyric acid3-Hydroxybutyric acidME780539---59
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME780654---59
3-Hydroxypropionic acidHydroxypropionic acidME780535---59
beta-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME780550---59
Mevalonic acidMevalonic acidME780584---59
2-Furoic acid2-Furoic acidME780543---67.02
2,4-Dihydroxypyrimidine-5-carboxylic acidUracil-5-carboxylic acidME780602---68
2-Hydroxy-2-methylbutyric acid2-Hydroxy-2-methyl-butyric acidME780549---71
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME780548---71
Fumaric acidFumaric acidME780546---71
Levulinic-acidLevulinic acidME780545---71
Maleic acidMaleic acidME780544---71.03
1-Kestose1-KestoseME780741---71.04
Gentiobiose-ME780710---71.04
3-Hydroxyisobutyric acid3-Hydroxyisobutyric acidME780540---73
D-Glucuronic AcidGlucuronic acidME780667---73
Succinic acidSuccinic acidME780552---73
Methylmalonic acidMethylmalonic acidME780551---73.1
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME780734---74
Glycocholic acidGlycocholic acidME780735---74
Guanidoacetic acidGuanidoacetic acidME780547---74
N-Isovaleroylglycine-ME780603---74
Gluconic acidGluconic acidME780671---75
Glyceric acidGlyceric acidME780541---75
L-Threonic acidThreonic acidME780575---75
2-Methoxybenzoic acid2-Methoxybenzoic acidME780595---77
Benzoic acidBenzoic acidME780554---77
Benzoylformic acid-ME780587---77
p-CresolP-CresolME780542---77.2
Picolinic acidPicolinic acidME780556---78
2'-Deoxyadenosine-5'-monophosphatedAMPME780705---79
Glucose 1-phosphateGlucose 1-phosphateME780692---79
Glycerophosphoric acidsn-Glycero-3-phosphateME780627---79
L-Methionine sulfoneMethionine sulfoneME780648---79
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME780624---79
Ribose-5-PhosphateRibose 5-phosphateME780687---79
Xylulose 5-phosphateXylulose 5-phosphateME780686---79
Cyclamic acidCyclamic acidME780637---80
L-Homocysteic?AcidHomocysteic acidME780652---80
TaurochenodeoxycholateTaurochenodeoxycholic acidME780740---80
Taurocholic acidTaurocholic acidME780744---80
Cysteic AcidCysteic acidME780625---81
Adipic acidAdipic acidME780580---83
Phloroglucinol-ME780557---83
AcetylcysteineN-AcetylcysteineME780609---84
3-Hydroxyglutaric acid3-Hydroxyglutaric acidME780586---85
Citraconic acidCitraconic acidME780561---85
Glucaric acidGlucaric acidME780680---85
Itaconic acidItaconic acidME780563---85
Mesaconic acidMesaconic acidME780562---85
Quinic acidQuinic acidME780660---85
6-Hydroxyhexanoic acid6-Hydroxycaproic acidME780567---85.06
Hydroxyisocaproic acidHydroxyisocaproic acidME780566---85.1
Citramalic acidCitramalic acidME780585---87
Ethylmalonic acidEthylmalonic acidME780568---87
Glutaric acidGlutaric acidME780571---87
L-Tartaric acidTartaric acidME780589---87
Methylsuccinic acidMethylsuccinic acidME780570---87
3-Guanidinopropionic acid3-Guanidinopropanoic acidME780565---88
3-Ureidopropionic acidUreidopropionic acidME780569---88
N-Acetyl-L-alanineN-AcetylalanineME780564---88
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME780631---88
D-(+)-AlloseAlloseME780644---88.96
D-FructoseFructoseME780642---88.96
D-GlucoseGlucoseME780646---88.96
D-TagatoseD-TagatoseME780641---88.96
L-SorboseSorboseME780643---88.96
L-ArabinoseLyxoseME780588---88.97
L-RhamnoseRhamnoseME780611---88.97
Allantoic acidAllantoic acidME780633---89
ErythritolErythritolME780555---89
N-Acetyl-S-(3-hydroxypropyl)cysteineN-Acetyl-S-(3-hydroxypropyl)-cysteineME780682---89
Phenylpyruvic acidPhenylpyruvic acidME780610---91
2-Methylbenzoic acid-ME780574---91.05
Anthranilic acid2-Aminobenzoic acidME780576---92
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME780578---93
Phenoxyacetic acid-ME780593---93
Salicylic acidSalicylic acidME780577---93
Salicyluric acidSalicyluric acidME780668---93
2'-DeoxyuridineDeoxyuridineME780684---94
D-Ribulose 1,5-bisphosphateRibulose 1,5-bisphosphateME780702---97
Fructose-6-phosphateFructose 6-phosphateME780693---97
Mannose 6-phosphateMannose 6-phosphateME780694---97
Pimelic acidPimelic acidME780605---97
N-Formyl-L-methionineN-FormylmethionineME780635---98.02
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME780607---99


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