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Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoate10-Hydroxydecanoic acidME452665-C02774--
1-Aminoethylphosphonate-ME452587-C03782--
2',3'-cCMP2',3' cyclic CMPME452699-C02354--
2,3-DPG2,3-Diphosphoglyceric acidME452539-C01159--
2,3-PyridinedicarboxylateQuinolinic acidME452642-C03722--
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME452625-C03030--
2,5-DihydroxybenzoateGentisic acidME452623-C00628--
2-Amino-3-phosphonopropionate-ME452646-C05672--
2-AminoethylphosphonateCiliatineME452588-C03557--
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME452692-C06369--
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME452687-C00672--
2-Furoate2-Furoic acidME452579-C01546--
2-Hydroxy-4-methylpentanoateD-Leucic acidME452601-C03264--
2-Hydroxybutyrate2-Hydroxybutyric acidME452573-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME452551-C02630--
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME452572----
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME452631----
2-Hydroxypentanoate2-Hydroxyvaleric acidME452584----
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME452620-C05852--
2-Isopropylmalate2-Isopropylmalic acidME452656-C02504--
2-OxoadipateOxoadipic acidME452629-C00322--
2-Oxobutyrate3-Methyl pyruvic acidME452568-C00109--
2-Oxoglutarate2-Oxoglutaric acidME452550-C00026--
2-OxoisopentanoateKetoisovaleric acidME452581-C00141--
2-Oxooctanoate-ME452627----
2PG2-Phosphoglyceric acidME452541-C00631--
2-QuinolinecarboxylateQuinaldic acidME452648-C06325--
2-Thiopheneacetate2-Thienylacetic acidME452610-C02595--
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME452640-C01198--
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME452641-C01744--
3',5'-Cyclic dAMP-ME452704-C00968--
3-Acetylacrylate-ME452580-C07091--
3'-AMP3'-AMPME452713-C01367--
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME452633-C03761--
3-Hydroxybutyrate3-Hydroxybutyric acidME452574-C01089--
3-HydroxypropionateHydroxypropionic acidME452565-C01013--
3-Indolebutyrate3-Indolebutyric acidME452680-C11284--
3-Indoxyl sulfateIndoxyl sulfateME452686----
3-MethylbutanoateIsovaleric acidME452570-C08262--
3PG3-Phosphoglyceric acidME452540-C00197--
3-PhenyllactatePhenyllactic acidME452639-C05607--
3-PhenylpropionateHydrocinnamic acidME452619-C05629--
3-UreidopropionateUreidopropionic acidME452600-C02642--
4-Acetylbutyrate5-Ketocaproic acidME452596-C02129--
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME452676-C05584--
4-Hydroxymandelate4-Hydroxymandelic acidME452644-C11527--
4-Methyl-2-oxopentanoateKetoleucineME452594-C00233--
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME452614-C01180--
4-Oxohexanoate-ME452595----
4-OxopentanoateLevulinic acidME452582----
4-Pyridoxate4-Pyridoxic acidME452660-C00847--
5-OxoprolinePyroglutamic acidME452591-C01879--
6-Hydroxyhexanoate6-Hydroxycaproic acidME452602-C06103--
6-Phosphogluconate6-Phosphogluconic acidME452556-C00345--
Acetyl CoAAcetyl-CoAME452546-C00024--
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME452737-C00054--
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME452736-C00224--
AdenylosuccinateAdenylsuccinic acidME452742-C03794--
AdipateAdipic acidME452612-C06104--
ADPADPME452738-C00008--
ADP-glucoseADP-glucoseME452762-C00498--
ADP-riboseADP-riboseME452758-C00301--
AllantoateAllantoic acidME452655-C00499--
AMPAMPME452714-C00020--
ATPATPME452751-C00002--
AzelateAzelaic acidME452664-C08261--
BarbiturateBarbituric acidME452590-C00813--
BenzoateBenzoic acidME452585-C00180--
BenzoylformatePhenylglyoxylic acidME452618-C02137--
Benzylsuccinate(R)-2-Benzylsuccinic acidME452683-C09816--
BiotinBiotinME452693-C00120--
ButanoateButyric acidME452564-C00246--
cAMP3',5' cyclic AMPME452708-C00575--
CarbamoylaspartateCarbamoylaspartateME452654-C00438--
CarbamoylphosphateCarbamoylphosphateME452608-C00169--
CDPCDPME452728-C00112--
CDP-cholineCDP-cholineME452757-C00307--
cGMP3',5' cyclic GMPME452712-C00942--
CholateCholic acidME452730-C00695--
cIMP-ME452710-C00943--
cis-Aconitatecis-Aconitic acidME452548-C00417--
CitraconateCitraconic acidME452593-C02226--
CitramalateCitramalic acidME452615-C02614--
CitrateCitric acidME452547-C00158--
CMPCMPME452706-C00055--
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME452765-C00128--
CoACoenzyme AME452723-C00010--
CrotonateCrotonic acidME452563-C01771--
CTPCTPME452747-C00063--
CysteateCysteic acidME452645-C00506--
Cysteine S-sulfateCysteine-S-sulfateME452678-C05824--
Cysteine sulfinate3-Sulfino-alanineME452622-C00606--
dADPdADPME452731-C00206--
dAMPdAMPME452711-C00360--
dATPdATPME452749-C00131--
dCDPdCDPME452724-C00705--
dCMPdCMPME452700-C00239--
dCTPdCTPME452744-C00458--
Deamido-NAD+Nicotinic acid adenine dinucleotideME452767-C00857--
DecanoateCapric acidME452647-C01571--
dGTPdGTPME452752-C00286--
DHAPDihydroxyacetone phosphateME452536-C00111--
DigalacturonateDigalacturonic acidME452721-C02273--
Dihydroorotate4,5-Dihydroorotic acidME452626-C00337--
dITPdITPME452750-C01345--
DodecanedioateDodecanedioic acidME452691-C02678--
DodecanoateLauric acidME452677-C02679--
dTDPdTDPME452727-C00363--
dTMPdTMPME452705-C00364--
dTTPdTTPME452746-C00459--
dUDPdUDPME452725-C01346--
dUMPdUMPME452701-C00365--
dUTPdUTPME452745-C00460--
Ethanolamine phosphatePhosphoethanolamineME452609-C00346--
F1,6PFructose 1,6-bisphosphateME452535-C00354--
F6PFructose 6-phosphateME452534-C00085--
FADFADME452770-C00016--
FolateFolic acidME452740-C00504--
FumarateFumaric acidME452554-C00122--
G1PGlucose 1-phosphateME452532-C00103--
G3PGlyceraldehyde 3-phosphateME452538-C00661--
G6PGlucose 6-phosphateME452533-C00092--
Galacturonate 1-phosphate-ME452695-C04037--
GDPGDPME452741-C00035--
GDP-mannoseGDP-mannoseME452763-C00096--
GluconateGluconic acidME452674-C00257--
Glucosamine 6-phosphateGlucosamine 6-phosphateME452545-C00352--
GlucuronateGlucuronic acidME452671-C00191--
GlutarateGlutaric acidME452599-C00489--
GlycerateGlyceric acidME452576-C00258--
Glycerophosphatesn-Glycero-3-phosphateME452537-C00093--
GlycocholateGlycocholic acidME452743-C01921--
GlycolateGlycolic acidME452562-C00160--
GlyoxylateGlyoxylic acidME452560-C00048--
GMPGMPME452718-C00144--
GTPGTPME452755-C00044--
HeptanoateHeptylic acidME452597-C17714--
HexanoateCaproic acidME452583-C01585--
HippurateHippuric acidME452658-C01586--
HomovanillateHomovanillic acidME452659-C05582--
IDPIDPME452739-C00104--
IMPIMPME452715-C00130--
Isethionate2-HydroxyethanesulfonateME452589-C05123--
Isobutyryl CoAIsobutyryl-CoAME452733-C00630--
IsocitrateIsocitric acidME452549-C00311--
ItaconateItaconic acidME452592-C00490--
ITPITPME452753-C00081--
LactateLactic acidME452544-C00186--
MalateMalic acidME452555-C00711--
MalonateMalonic acidME452571-C00383--
Malonyl CoAMalonyl-CoAME452735-C00083--
MethanesulfonateMethanesulfonic acidME452566-C11145--
Methyl sulfateMethyl sulfateME452578-C02704--
(Methylthio)acetate(Methylthio)acetic acidME452575-C03173--
m-Hydroxybenzoate3-Hydroxybenzoic acidME452606-C00587--
MucateGalactaric acidME452685-C00879--
N-AcetylaspartateN-Acetylaspartic acidME452653-C01042--
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME452598-C01073--
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME452697-C04501--
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME452698-C00357--
N-AcetylglutamateN-Acetylglutamic acidME452666-C00624--
N-AcetylleucineN-AcetylleucineME452649-C02710--
N-AcetylmethionineN-AcetylmethionineME452668-C02712--
N-AcetylmuramateN-Acetylmuramic acidME452696-C02713--
N-AcetylneuraminateN-Acetylneuraminic acidME452702-C00270--
N-AcetylphenylalanineN-AcetylphenylalanineME452682-C03519--
NAD+NAD+ME452766-C00003--
NADHNADHME452768-C00004--
NADP+NADP+ME452769-C00006--
NADPHNADPHME452722-C00005--
N-CarbamylglutamateCarglumic acidME452667-C05829--
N-FormylaspartateN-Formyl-aspartic acidME452632-C01044--
N-FormylmethionineN-FormylmethionineME452657-C03145--
NicotinateNicotinic acidME452586-C00253--
o-Coumaratetrans-o-Coumaric acidME452636-C01772--
OctanoateCaprylic acidME452611-C06423--
o-HydroxybenzoateSalicylic acidME452604-C00805--
o-HydroxyhippurateSalicyluric acidME452673-C07588--
O-PhosphoserinePhosphoserineME452662-C01005--
OrotateOrotic acidME452624-C00295--
Orotidine 5'-monophosphateOrotidylic acidME452720-C01103--
P1, P4-Di(adenosine-5') tetraphosphate-ME452732-C01260--
PantothenatePantothenic acidME452688-C00864--
p-Coumaratecis-p-Coumaric acidME452635-C00811--
PelargonatePelargonic acidME452628-C01601--
PentanoateValeric acidME452569-C00803--
PEPPhosphoenolpyruvic acidME452542-C00074--
PhenaceturatePhenylacetylglycineME452670-C05598--
Phenyl phosphatePhenyl phosphateME452650-C02734--
PhenylpyruvatePhenylpyruvic acidME452634-C00166--
PhosphonoacetatePhosphonoacetateME452607-C05682--
PhthalatePhthalic acidME452638-C01606--
p-Hydroxybenzoate4-Hydroxybenzoic acidME452605-C00156--
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME452621-C00642--
PhytateMyo-inositol hexakisphosphateME452709-C01204--
PimelatePimelic acidME452630-C02656--
PorphobilinogenPorphobilinogenME452690-C00931--
PropionatePropionic acidME452561-C00163--
Prostaglandin E2PGE2ME452716-C00584--
Prostaglandin F2alphaPGF2alphaME452717-C00639--
PRPPPhosphoribosyl pyrophosphateME452726-C00119--
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME452577-C05942--
PyruvatePyruvic acidME452543-C00022--
QuinateQuinic acidME452669-C00296--
R5PRibose 5-phosphateME452558-C00117--
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME452703-C01182--
Ru5PRibulose 5-phosphateME452557-C00199--
S7PSedoheptulose 7-phosphateME452559-C05382--
SaccharateGlucaric acidME452684-C00818--
SebacateSebacic acidME452679-C08277--
Serine O-sulfateSerine-O-sulfateME452661-C02703--
ShikimateShikimic acidME452652-C00493--
SinapateSinapic acidME452689-C00482--
Sorbitol 6-phosphatePseudouridineME452694-C01096--
SuccinateSuccinic acidME452553-C00042--
Succinyl CoASuccinyl-CoAME452552-C00091--
SyringateSyringic acidME452675-C10833--
TartrateTartaric acidME452617-C00898--
TaurocholateTaurocholic acidME452754-C05122--
TDP-glucosedTDP-glucoseME452759-C00842--
TerephthalateTerephthalic acidME452637-C06337--
threo-beta-methylaspartate + Glu-ME452613-C03618--
ThreonateThreonic acidME452603-C01620--
TiglateTiglic acidME452567-C08279--
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME452672-C01494--
trans-Aconitatetrans-Aconitic acidME452651-C02341--
trans-Cinnamatetrans-Cinnamic acidME452616-C00423--
Trehalose 6-phosphateTrehalose 6-phosphateME452734-C00689--
UDPUDPME452729-C00015--
UDP-glucoseUDP-glucoseME452760-C00029--
UDP-glucuronateUDP-glucuronic acidME452761-C00167--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME452764-C00043--
UMPUMPME452707-C00105--
UndecanoateUndecylic acidME452663-C17715--
UrateUric acidME452643-C00366--
UTPUTPME452748-C00075--
XanthurenateXanthurenic acidME452681-C02470--
XMPXMPME452719-C00655--
XTPXanthosine 5-triphosphateME452756-C00700--


Analysis: None (Direct infusion) POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diaminopropane1,3-DiaminopropaneME452776-C00986--
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME452846-C03969--
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME452793-C01234--
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME452791-C11118--
1-Methyladenosine1-MethyladenosineME453025-C02494--
1-Methylhistamine1-MethylhistamineME452842-C05127--
1-Methylnicotinamide1-Methyl nicotinamideME452868-C02918--
2,3-Diaminopropionate2,3-Diaminopropionic acidME452804-C06393--
2,4-Diaminobutyrate2,4-Diaminobutyric acidME452824-C03283--
2,4-Dimethylaniline2,4-DimethylanilineME452835-C11003--
2AB2S-Aminobutyric acidME452800-C02356--
2-Aminobenzimidazole-ME452864-C10901--
2-Aminophenol2-AminophenolME452809-C01987--
2'-DeoxycytidineDeoxycytidineME452993-C00881--
2'-DeoxyguanosineDeoxyguanosineME453020-C00330--
2'-DeoxyinosineDeoxyinosineME453014-C05512--
2-Deoxystreptamine2-DeoxystreptamineME452919-C02627--
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME452945-C10898--
3,3',5-TriiodothyronineLiothyronineME453045-C02465--
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME453043-C01060--
3-Aminoisobutyrate3-Aminoisobutanoic acidME452799-C05145--
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME452788-C06057--
3-Aminopropionitrile-ME452773-C05670--
3-Chloroalanine-ME452839-C02635--
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME452901-C00632--
3-HydroxykynurenineHydroxykynurenineME452992-C02794--
3-IodotyrosineIodotyrosineME453033-C02515--
3-Methoxytyramine3-MethoxytyramineME452930-C05587--
3-Methyladenine3-MethyladenineME452896-C00913--
3-Methylguanine3-MethylguanineME452926-C02230--
3-Methylhistidine3-MethylhistidineME452935-C01152--
4-Amino-3-hydroxybutyrate-ME452825-C03678--
4-AminosalicylateAminosalicylic acidME452902-C02518--
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME452904-C05135--
4-HydroxymethylimidazoleImidazole-4-methanolME452790-C05562--
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME452880-C04294--
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME452889-C03114--
5-Aminolevulinate5-Amino-levulinic acidME452852-C00430--
5-Aminovalerate5-Aminopentanoic acidME452820-C00431--
5'-Deoxyadenosine5'-DeoxyadenosineME453012-C05198--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME452968-C05635--
5-Hydroxylysine5-HydroxylysineME452920-C16741--
5-Hydroxytryptophan5-Hydroxy-tryptophanME452988-C00643--
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME452980-C05660--
5-Methoxy-N,N-dimethyltryptamine-ME452985-C08309--
5-Methoxytryptamine5-MethoxytryptamineME452967-C05659--
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME453002-C03592--
5-Methylcytosine5-MethylcytosineME452841-C02376--
5-Methyltetrahydrofolate5-Methyl-THFME453044-C00440--
5-Methylthioadenosine5'-MethylthioadenosineME453030-C00170--
6-AminohexanoateAminocaproic acidME452855-C02378--
6-Hydroxynicotinate6-Hydroxynicotinic acidME452875-C01020--
6-Methylaminopurine6-MethyladenineME452897-C08434--
7,8-Dihydrobiopterin7,8-DihydrobiopterinME452998-C02953--
7,8-Dihydroneopterin7,8-DihydroneopterinME453015-C04874--
7-Methylguanine7-MethylguanineME452925-C02242--
AcetylcholineAcetylcholineME452884-C01996--
AdenineAdenineME452866-C00147--
AdenosineAdenosineME453019-C00212--
ADMADimethylarginineME452976-C03626--
AgmatineAgmatineME452851-C00179--
AICAR (5-Aminoimidazole-4-carboxamide ribotide)AICARME453036-C04677--
AlaAlanineME452786-C00041--
Ala-AlaAla-AlaME452913-C00993--
AllantoinAllantoinME452909-C01551--
AlliinAlliinME452949-C08265--
alpha-AminoadipateAminoadipic acidME452915-C00956--
alpha-Methylbenzylamine-ME452834-C02455--
Alpha-MethylserineAlpha-MethylserineME452827-C02115--
AmantadineLoratadineME452899-C06818--
AnilineAnilineME452789-C00292--
AnserineAnserineME453000-C01262--
Anthranilate2-Aminobenzoic acidME452871-C00108--
ArgArginineME452940-C00062--
Arginine ethyl esterEthyl arginateME452975-C01404--
ArgininosuccinateArgininosuccinic acidME453029-C03406--
AsnAsparagineME452861-C00152--
AspAspartic acidME452863-C00049--
BenzamideBenzamideME452832-C09815--
BenzamidineBenzamidineME452830-C01784--
Benzimidazole1H-BenzimidazoleME452823-C02009--
beta-Alabeta-AlanineME452785-C00099--
beta-Ala-Lys-ME452984-C05341--
beta-CyanoalanineCyanoalanineME452816-C02512--
beta-ImidazolelactateImidazolelactic acidME452907-C05568--
BetaineBetaineME452822-C00719--
Betaine aldehydeBetaine aldehydeME452794-C00576--
beta-Leucinebeta-LeucineME452856-C02486--
BetonicineBetonicineME452911-C08269--
Bis(3-aminopropyl)amineNorspermidineME452859-C03375--
CadaverineCadaverineME452797-C01672--
CanavanineCanavanineME452947-C00308--
CarnitineCarnitineME452918-C00318--
CarnosineCarnosineME452813-C00386--
CastanospermineCastanospermineME452966-C02256--
CholineCholineME452803-C00114--
CitrullineCitrullineME452946-C00327--
CreatineCreatineME452854-C00300--
CreatinineCreatinineME452814-C00791--
CyclohexylamineCyclohexylamineME452792-C00571--
CysCysteineME452831-C00097--
Cys-GlyCys-GlyME452950-C01419--
CystathionineCystathionineME452991-C02291--
CysteamineCysteamineME452782-C01678--
Cysteine-glutathione disulphide -Divalent-ME452982----
CystineCystineME452999-C00491--
CytidineCytidineME453004-C00475--
CytosineCytosineME452810-C00380--
DesthiobiotinDethiobiotinME452983-C01909--
DiethanolamineDiethanolamineME452806-C06772--
DihydrouracilDihydrouracilME452817-C00429--
DiphenylamineDiphenylamineME452936-C11016--
DOPADOPAME452972-C00355--
DopamineDopamineME452903-C03758--
EctoineEctoineME452879-C06231--
EpinephrineEpinephrineME452959-C00788--
GABAgamma-Aminobutyric acidME452798-C00334--
gamma-Butyrobetaine3-DehydroxycarnitineME452885-C01181--
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME452995----
gamma-Glu-cysgamma-GlutamylcysteineME453010-C00669--
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME452883-C01035--
GlnGlutamineME452888-C00064--
GluGlutamic acidME452892-C00025--
GlucosaminateGlucosaminic acidME452970-C03752--
GlucosamineGlucosamineME452953-C00329--
Glu-GluGlu-GluME453023-C01425--
Glutathione(ox)Oxidized glutathioneME453031-C00127--
Glutathione(red)GlutathioneME453034-C00051--
GlyGlycineME452777-C00037--
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME453016-C00670--
Gly-GlyGly-GlyME452860-C02037--
Gly-LeuGly-LeuME452963-C02155--
Gramine-ME452941-C08304--
GuanidinoacetateGuanidoacetic acidME452819-C00581--
GuanidinosuccinateGuanidinosuccinic acidME452943-C03139--
GuanineGuanineME452898-C00242--
GuanosineGuanosineME453026-C00387--
HarmanHarmanME452957-C09209--
HexylamineHexylamineME452796-C08306--
HisHistidineME452906-C00135--
HistamineHistamineME452811-C00388--
HistidinolL-HistidinolME452877-C00860--
HomocarnosineHomocarnosineME453001-C00884--
HomocysteineHomocysteineME452865-C00155--
HomocystineHomocystineME453021-C01817--
HomoserineHomoserineME452826-C00263--
HydroxyprolineHydroxyprolineME452853-C01015--
HydroxyureaHydroxyureaME452780-C07044--
HypotaurineHypotaurineME452808-C00519--
HypoxanthineHypoxanthineME452867-C00262--
Ibotenate-ME452908-C10600--
IleIsoleucineME452857-C00407--
Imidazole-4-acetateImidazoleacetic acidME452843-C02835--
Indole-3-acetaldehydeIndoleacetaldehydeME452910-C00637--
Indole-3-acetamide1H-Indole-3-acetamideME452937-C02693--
Indole-3-acetateIndoleacetic acidME452944-C00954--
Indole-3-ethanolTryptophanolME452917-C00955--
InosineInosineME453022-C00294--
Isoamylamine3-Methyl-1-butylamineME452783-C02640--
Isobutylamine-ME452775-C02787--
Isonicotinamide-ME452836-C02421--
IsopropanolamineIsopropanolamineME452779-C05771--
KynurenineKynurenineME452981-C00328--
LeuLeucineME452858-C00123--
Leu-Leu-TyrLeu-Leu-TyrME453042-C11331--
LysLysineME452890-C00047--
LysinamideLysinamideME452886-C01930--
Mannosamine2-Amino-2-deoxy-D-mannoseME452952-C03570--
MelamineMelamineME452845-C08737--
MelatoninMelatoninME452996-C01598--
MetMethionineME452895-C00073--
MetforminMetforminME452848-C07151--
Methionine sulfoxideMethionine sulfoxideME452924-C02989--
Methionine sulfoximineMethionine sulfoximineME452955-C03510--
MethylguanidineMethylguanidineME452774-C02294--
MuramateMuramic acidME453011-C06470--
MuscimolMuscimolME452815-C08311--
N1-AcetylspermidineN1-AcetylspermidineME452961-C00612--
N1-AcetylspermineN1-AcetylspermineME453006-C02567--
N1-Acetylspermine_divalentN1-AcetylspermineME453007-C02567--
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME452882-C03413--
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME452994----
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME453018-C03795--
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME452965-C03793--
N8-AcetylspermidineN8-AcetylspermidineME452962-C01029--
N-AcetylglucosamineN-Acetyl-D-glucosamineME452990-C00140--
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME452989-C01239--
N-AcetylhistidineN-AcetylhistidineME452973-C02997--
N-AcetylornithineN-AcetylornithineME452938-C00437--
N-AcetylputrescineN-AcetylputrescineME452850-C02714--
N-AcetylvalineN-AcetylvalineME452912----
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME453032-C01670--
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME452960-C04259--
n-Butyl a-Picolinate-ME452954----
N-epsilon-AcetyllysineN6-AcetyllysineME452964-C02727--
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME452939-C01047--
NicotinamideNiacinamideME452837-C00153--
NicotineNicotineME452921-C00745--
N-MethylalanineN-MethylalanineME452801-C02721--
N-MethylanilineN-MethylanilineME452807-C02299--
N-MethylglutamateN-Methyl-glutamic acidME452916-C01046--
N,N-DimethylglycineDimethylglycineME452802-C01026--
N-omega-MethyltryptamineN-MethyltryptamineME452942-C06213--
NoradrenalineXi-NorepinephrineME452934-C00547--
NornicotineNornicotineME452894-C06524--
o-AcetylcarnitineCAR 2:0ME452978-C02571--
O-AcetylserineO-AcetylserineME452893-C00979--
OctopineOctopineME453008-C04137--
OctylamineOctylamineME452849-C01740--
OphthalmateOphthalmic acidME453028----
OrnithineOrnithineME452862-C00077--
o-Succinylhomoserineo-SuccinylhomoserineME452986-C01118--
p-Aminobenzoatep-Aminobenzoic acidME452869-C00568--
PhePhenylalanineME452927-C00079--
PhenethylaminePhenylethylamineME452833-C05332--
Phenylethanolamine2-HydroxyphenethylamineME452872-C02735--
Phe-PhePhe-PheME453035----
PhosphorylcholineCholine phosphateME452958-C00588--
PicolinamidePicolinamideME452838-C01950--
PipecolatePipecolic acidME452847-C00408--
ProProlineME452818-C00148--
Proline betaineProline betaineME452881-C10172--
Pseudopelletierinepsi-PelletierineME452905-C10865--
PterinPterinME452922-C00715--
PurinePurineME452829-C15587--
Purine ribosideNebularineME453013-C01736--
Putrescine(1,4-Butanediamine)PutrescineME452784-C00134--
Pyrazole1H-pyrazoleME452772-C00481--
PyridoxalPyridoxalME452929-C00250--
PyridoxaminePyridoxamineME452932-C00534--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME453009-C00647--
PyridoxinePyridoxineME452933-C00314--
RiboflavinRiboflavinME453040-C00255--
SaccharopineSaccharopineME453024-C00449--
SAHS-AdenosylhomocysteineME452969-C00021--
SAM+S-AdenosylmethionineME452974-C00019--
SarcosineSarcosineME452787-C00213--
SDMASymmetric dimethylarginineME452977----
SepiapterinSepiapterinME452997-C00835--
SerSerineME452805-C00065--
SerotoninSerotoninME452948-C00780--
S-LactoylglutathioneS-LactoylglutathioneME453041-C03451--
S-MethylmethionineS-MethylmethionineME452923-C03172--
SpermidineSpermidineME452887-C00315--
SpermineSpermineME452795-C00750--
SynephrineSynephrineME452931-C04548--
TaurineTaurineME452840-C00245--
TaurocyamineTaurocyamineME452928-C01959--
TetrahydropalmatineTetrahydropalmatineME453038-C02890--
ThiamineThiamineME453017-C00378--
Thiamine monophosphateThiamine monophosphateME453037-C01081--
ThrThreonineME452828-C00188--
ThymidineThymidineME453003-C00214--
ThymineThymineME452844-C00178--
trans-Zeatintrans-ZeatinME452987-C00371--
TRHThyrotropin releasing hormoneME453039-C03958--
TrientineTrientineME452891-C07166--
TrigonellineTrigonellineME452870-C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME452778-C01104--
TrimethylsulfoniumTrimethyl sulfoniumME452781-C01008--
TropinePseudotropineME452878-C00729--
TropinoneTropinoneME452876-C00783--
TrpTryptophanME452979-C00078--
TryptamineTryptamineME452914-C00398--
TyrTyrosineME452956-C00082--
TyramineTyramineME452873-C00483--
Tyrosine methyl esterMethyl tyrosinateME452971-C03404--
UracilUracilME452812-C00106--
UreaUreaME452771-C00086--
UridineUridineME453005-C00299--
UrocanateUrocanic acidME452874-C00785--
ValValineME452821-C00183--
XanthineXanthineME452900-C00385--
XanthopterinXanthopterinME452951----
XanthosineXanthosineME453027-C01762--


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