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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
phosphatePhosphoric acidME9589081061C00009--
adenosine 5'-monophosphate (AMP)AMPME9588826083C00020--
glutamateGlutamic acidME95891633032C00025,C00217--
glycineGlycineME958895750C00037--
alanineAlanineME9589265950C00041--
aspartateAspartic acidME9588865960C00049--
arginineArginineME9588846322C00062--
glutamineGlutamineME9589175961C00064--
serineSerineME9589105951C00065--
methionineMethionineME9589036137C00073--
ornithineOrnithineME9589056262C00077--
tryptophanTryptophanME9589196305C00078--
phenylalaninePhenylalanineME9589076140C00079--
tyrosineTyrosineME9589276057C00082--
ureaUreaME9589151176C00086--
cysteineCysteineME9589245862C00097--
beta-alaninebeta-AlanineME958887239C00099--
anthranilate2-Aminobenzoic acidME958952227C00108--
cholineCholineME958951305C00114--
biotinBiotinME958889171548C00120--
leucineLeucineME9589016106C00123--
adenineAdenineME958930190C00147--
prolineProlineME958909-C00148,C000763--
asparagineAsparagineME9589326267C00152--
nicotinamideNiacinamideME958904936C00153--
acetoacetateAcetoacetic acidME95894796C00164--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME958883439176C00170--
valineValineME9589206287C00183--
threonineThreonineME9589186288C00188--
adenosineAdenosineME95892260961C00212--
sarcosineSarcosineME9589361088C00213--
taurineTaurineME9589131123C00245--
hypoxanthineHypoxanthineME958879-C00262--
creatineCreatineME958948586C00300--
spermidineSpermidineME9588761102C00315--
citrullineCitrullineME9589009750C00327--
kynurenineKynurenineME958964161166C00328--
phosphoethanolaminePhosphoethanolamineME9589381015C00346--
cytosineCytosineME958931597C00380--
xanthineXanthineME9589341188C00385--
carnosineCarnosineME958888439224C00386--
histamineHistamineME958897774C00388--
5-aminovalerate5-Aminopentanoic acidME958967138C00431--
N-alpha-acetylornithineN-AcetylornithineME958966439232C00437--
formiminoglutamateFormiminoglutamic acidME959044439233C00439--
isocitrateIsocitric acidME9589455318532C00451--
cytidineCytidineME9589286175C00475--
carnitineCarnitineME958955288C00487,C00308--
cystineCystineME95889267678C00491--
hypotaurineHypotaurineME958898107812C00519--
pyridoxaminePyridoxamineME9589211052C00534--
guanidinoacetateGuanidoacetic acidME958896763C00581--
choline phosphateCholine phosphateME9588901014C00588--
3-phosphoglycerate3-Phosphoglyceric acidME958878724C00597--
cysteine sulfinic acid3-Sulfino-alanineME959034109C00606--
gamma-glutamylcysteinegamma-GlutamylcysteineME958939123938C00669--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME95896571920C00670--
betaineBetaineME958923247C00719--
lysineLysineME9589025962C00739,C00047--
spermineSpermineME9589121103C00750--
serotoninSerotoninME9589115202C00780--
creatinineCreatinineME958891588C00791--
2'-deoxycytidineDeoxycytidineME95896113711C00881--
glycerol 3-phosphatesn-Glycero-3-phosphateME958962754C0093--
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME95901610413C00989--
trigonelline (N'-methylnicotinate)TrigonellineME9589835570C01004--
(N(1) + N(8))-acetylspermidineAsparagineME959080-C01029,C00612--
4-guanidinobutanoate4-Guanidinobutanoic acidME958960500C01035--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME959072-C01074--
thiamin monophosphateThiamine monophosphateME958914-C01081--
trimethylamine N-oxideTrimethylamine N-oxideME9590571145C01104--
trans-4-hydroxyprolinetrans-4-HydroxyprolineME9589335810C01157--
deoxycarnitine3-DehydroxycarnitineME95902622620C01181--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME959024123874C01233--
anserineAnserineME958958112072C01262--
homoarginineHomoarginineME9589769085C01924--
taurocyamineTaurocyamineME95900968340C01959--
2-methylserine2-MethylserineME95907594309C02115--
7-methylguanine7-MethylguanineME959011135398679C02242--
cystathionineCystathionineME958893439258C02291--
1-methylguanidineMethylguanidineME95896910111C02294--
2-aminobutyrate2-Aminobutyric acidME95894280283C02356--
homocitrullineHomocitrullineME95897765072C02427--
xanthurenateXanthurenic acidME9589565699C02470--
N1-methyladenosine1-MethyladenosineME95895027476C02494--
N-acetylarginineN-AcetylarginineME95899267427C02562--
acetylcarnitine (C2)CAR 2:0ME9589737045767C02571--
3-ureidopropionateUreidopropionic acidME958940111C02642--
pimelate/3-methyladipate-ME959050385C02656--
N-acetylputrescineN-AcetylputrescineME958881122356C02714--
N-methylalanineN-MethylalanineME9590304377C02721--
N6-methyllysineN(6)-MethyllysineME959058164795C02728--
4-imidazoleacetateImidazoleacetic acidME95898996215C02835--
butyrylcarnitine (C4)CAR 4:0ME958979439829C02862--
1-methylnicotinamide1-Methyl nicotinamideME958877457C02918--
4-acetamidobutanoate4-Acetamidobutanoic acidME95894118189C02946--
methionine sulfoxideMethionine sulfoxideME958957158980C02989--
N-acetylhistidineN-AcetylhistidineME95899475619C02997--
propionylcarnitine (C3)CAR 3:0ME958987107738C03017--
beta-guanidinopropanoate3-Guanidinopropanoic acidME95900667701C03065--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME959045439902C03079--
nicotinamide ribosideNicotinamide ribosideME958998439924C03150--
argininosuccinateArgininosuccinic acidME95888560150382C03406--
N-glycolylneuraminateN-Glycolylneuraminic acidME959015123802C03410--
cis-4-hydroxyprolinecis-4-HydroxyprolineME958968440014C03440--
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME959039440055C03592--
dimethylglycineDimethylglycineME958925673C03626--
S-carboxymethyl-cysteineS-Carboxymethyl-cysteineME959040193653C03727--
gamma-glutamylalaninegamma-GlutamylalanineME959031440103C03738--
2-oxoarginine*2-OxoarginineME959049558C03771--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME958880440120C03793--
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME95887511966181C04322--
N-acetylglucosaminylasparagineAspartylglycosamineME958946123826C04540--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME959027440569C05131--
gamma-glutamylglutamategamma-Glutamylglutamic acidME95889492865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME958943150914C05283--
S-methylmethionineS-MethylmethionineME959037458C05319--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME959087193344C05545--
imidazole lactateImidazolelactic acidME958963793C05568--
ergothioneineErgothioneineME9590365351619C05570--
phenylacetylglycinePhenylacetylglycineME95899368144C05598--
cysteine s-sulfateCysteine-S-sulfateME958974115015C05824--
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME95899075810C05828--
nicotinate ribonucleosideD-RibosylnicotinateME959002161233C05841--
N1-methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME959013440810C05843--
ectoineEctoineME959025126041C06231--
2-hydroxyquinoline2-HydroxyquinolineME9590416038C06338--
isoleucineIsoleucineME9588996306C06418,C00407,C16424--
betonicineBetonicineME959035164642C08269--
homostachydrine*-ME959020441447C08283--
picolinatePicolinic acidME9589351018C10164--
stachydrineStachydrineME958997115244C10172--
dimethyl sulfoneDimethyl sulfoneME9590646213C11142--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME959023188803C12270--
indolin-2-oneIndolin-2-oneME959067321710C12312--
N-methyl-GABA4-(Methylamino)butyric acidME95905470703C15987--
5-hydroxylysine5-HydroxylysineME9589593032849C16741--
iminodiacetate (IDA)Iminodiacetic acidME9589758897C19911--
hydroxyasparagine**HydroxyasparagineME95908215991574C20631--
isovalerylcarnitine (C5)CAR 4:0;3MeME959004169235C20826--
3-methylcrotonylglycine3-MethylcrotonylglycineME958985169485C20828--
dimethylarginine (SDMA + ADMA)DimethylarginineME959029-C21189,C03626--
glutathione, oxidized (GSSG)Oxidized glutathioneME95890665359D00031,C00127--
cefazolinCefazolinME95907833255D02299,C06880--
thiamin (vitamin B1)ThiamineME9589291130DG00125,C00378,D08580--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME9590516451814NA--
1-methyl-5-imidazolelactate1-Methyl-5-imidazolelactateME959096-NA--
1-methylhypoxanthine1-MethylhypoxanthineME95907070765NA--
2-aminoheptanoate2-Aminoheptanoic acidME959068227939NA--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME9590176426901NA--
2-methylbutyrylglycine2-MethylbutyrylglycineME958986193872NA--
2-oxindole-3-acetate2-Oxindole-3-acetateME9590533080590NA--
2-oxo-1-pyrrolidinepropionate2-Oxo-1-pyrrolidinepropionic acidME9590563146688NA--
2-piperidinone2-PiperidinoneME95906512665NA--
2-pyrrolidinone2-PyrrolidinoneME95898112025NA--
3-amino-2-piperidone3-Amino-2-piperidoneME9590855200225NA--
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME959091-NA--
3-methoxytyrosine3-MethoxytyrosineME9589549307NA--
3-methylcytidine3-MethylcytidineME95901214237477NA--
5-(galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME95904266995551NA--
5-methylcytidine5-MethylcytidineME95897092918NA--
6-acetylglucose6-AcetylglucoseME959095-NA--
argininate*Argininic acidME959048160437NA--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME959021-NA--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME9590552572NA--
cyclo(leu-pro)Cyclo(Leu-Pro)ME9590327074739NA--
cysteinylglycine disulfide*Cysteinylglycine disulfideME95904322833544NA--
fructosyllysineFructosyllysineME9590719839580NA--
gamma-carboxyglutamategamma-Carboxy-glutamic acidME95904640772NA--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME95907765254NA--
gamma-glutamylcitrulline*gamma-GlutamylcitrullineME959084-NA--
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME9589917015685NA--
gamma-glutamylglycinegamma-GlutamylglycineME958995100099NA--
gamma-glutamylhistidinegamma-GlutamylhistidineME9589497017195NA--
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME95901422885096NA--
gamma-glutamylleucinegamma-GlutamylleucineME958953151023NA--
gamma-glutamylmethioninegamma-GlutamylmethionineME9590007009567NA--
gamma-glutamylthreoninegamma-GlutamylthreonineME95900176078708NA--
gamma-glutamyltryptophangamma-GlutamyltryptophanME9589963989307NA--
gamma-glutamylvalinegamma-GlutamylvalineME9589847015683NA--
glutamine_degradant*-ME959019-NA--
hexanoylcarnitine (C6)CAR 6:0ME9589726426853NA--
histidine betaine (hercynine)*HercynineME9590633083620NA--
imidazole propionateImidazole propanoateME95905970630NA--
indoleacetoylcarnitine*-ME959088-NA--
indolepropionate3-Indolepropionic acidME9589823744NA--
isobutyrylcarnitine (C4)CAR 3:0;2MeME958980168379NA--
isocaproylcarnitineIsocaproylcarnitineME959081-NA--
isoleucylhydroxyproline*IsoleucylhydroxyprolineME95909461158802NA--
leucylhydroxyproline*Leucyl-hydroxyprolineME95909320847829NA--
maleoylcarnitine-ME959073-NA--
malonylcarnitineCAR DC3:0ME95901822833583NA--
methionine sulfoneMethionine sulfoneME95906969961NA--
mevalonolactoneMevalonolactoneME95897110428NA--
N1-methylinosine1-MethylinosineME959005650095NA--
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME959007135501639NA--
N4-acetylcytidineN4-AcetylcytidineME959008107461NA--
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME959028123800NA--
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME95906653859791NA--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME959038193270NA--
N-acetylcarnosineN-AcetylcarnosineME9590629903482NA--
N-acetylglycineN-AcetylglycineME95897810972NA--
N-acetylhomocitrulline-ME959090-NA--
N-acetyl-isoputreanineN-AcetylisoputreanineME959089131802901NA--
N-acetylprolineN-Acetyl-prolineME959003322640NA--
nicotinamide N-oxideNicotinamide N-oxideME95904772661NA--
N-methylprolineN-Methyl-prolineME959033643474NA--
N,N-dimethylalanineN,N-DimethylalanineME9590865488191NA--
N,N-dimethyl-pro-pro-ME959098-NA--
N,N-dimethylvalineN,N-DimethylvalineME95909711008044NA--
N,N,N-trimethyl-5-aminovaleratedelta-ValerobetaineME95907914274897NA--
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME959083-NA--
ophthalmateOphthalmic acidME9589997018721NA--
oxindolylalanineOxyindolylalanineME95909920977764NA--
picolinoylglycinePicolinoylglycineME95909211788622NA--
pipecolatePipecolic acidME958937-NA--
pro-hydroxy-proPro-hydroxyProME95898811902893NA--
prolylglycinePro-GlyME9590606426709NA--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME95906153481617NA--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME95907671464477NA--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME95905282142NA--
thioprolineThioprolineME95907493176NA--
tigloylglycineTiglylglycineME9589446441567NA--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME95902222833596NA--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME9590103080690R00900--


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
hemeHemeME95913126945C00032--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME9592746438587C00165--
cholesterolCholesterolME959101-C00187--
sphingosineSphingosineME9591025280335C00319--
retinol (vitamin A)RetinolME959104445354C00473--
bilirubin (E,Z or Z,E)*BilirubinME9591545799469C00486--
bilirubin (Z,Z)BilirubinME9591055280352C00486--
biliverdinBiliverdinME9591005280353C00500--
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME9591116453725C00550--
4-cholesten-3-oneCholestenoneME95915891477C00599--
sphinganineSphinganineME9591033126C00836--
beta-sitosterolSitosterolME959122222284C01753--
campesterolCampesterolME959125173183C01789--
protoporphyrin IXProtoporphyrinME9591144971C02191--
alpha-tocopherolalpha-TocopherolME95910686472C02477--
octanoylcarnitine (C8)CAR 8:0ME959123-C02838--
palmitoylcarnitine (C16)CAR 16:0ME959121461C02990--
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME95919424778686C03889--
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME95912816081932C03916--
1-linolenoyl-GPC (18:3)*LPC 18:3/0:0ME959171-C04100--
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME95913411988421C04100--
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME95912486554C04102--
1-arachidoyl-GPC (20:0)LPC 20:0/0:0ME95913024779473C04230--
1-myristoyl-GPC (14:0)LPC 14:0/0:0ME959129460604C04230--
1-stearyl-GPC (O-18:0)*LPC O-18:0ME9592472733532C04317--
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME95913824779476C05208--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME95924124778979C05208--
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME95918910747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME9592059546800C05210--
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME9592005289133C05210--
sphingosine 1-phosphateSphingosine 1-phosphateME9591175283560C06124--
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME9591126436017C13875--
gamma-tocopherol/beta-tocopherolbeta-TocopherolME959210-C14152,C02483--
7-hydroxycholesterol (alpha or beta)7beta-HydroxycholesterolME95917815571093C15610--
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME959118452110D03585--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4ME959219-NA--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4ME95921352925126NA--
1-(1-enyl-palmitoyl)-2-docosahexaenoyl-GPC (P-16:0...PC P-16:0/22:6ME95921753480699NA--
1-(1-enyl-palmitoyl)-2-docosahexaenoyl-GPE (P-16:0...PE P-16:0/22:6ME9592125283497NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2ME95921824779386NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2ME95923352925127NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1ME95921634779384NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1ME95921552925128NA--
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1ME95924852923882NA--
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0ME95924911146967NA--
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0ME959165-NA--
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4ME9592119547058NA--
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPC (P-18:0/...PC P-18:0/22:6ME95922042607430NA--
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPE (P-18:0/...PE P-18:0/22:6ME95921442607458NA--
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2ME959256-NA--
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1ME95919242607457NA--
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0ME959166-NA--
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME9591875288075NA--
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME9592539546812NA--
1,2-distearoyl-GPC (18:0/18:0)PC 18:0/18:0ME95911994190NA--
1-adrenoyl-GPC (22:4)*LPC 22:4/0:0ME95916252924039NA--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME95914642607465NA--
1-arachidoyl-2-arachidonoyl-GPC (20:0/20:4)*PC 20:0/20:4ME95923924779048NA--
1-behenoyl-GPC (22:0)LPC 22:0/0:0ME95916024779479NA--
1-cerotoyl-GPC (26:0)*LPC 26:0/0:0ME959287-NA--
1-dihomo-linolenoyl-GPC (20:3n3 or 6)*LPC 20:3/0:0ME95913952924055NA--
1-dihomo-linoleoyl-GPC (20:2)*LPC 20:2/0:0ME959140-NA--
1-docosahexaenoyl-GPC (22:6)*LPC 22:6/0:0ME95914210415542NA--
1-eicosapentaenoyl-GPC (20:5)*LPC 20:5/0:0ME959172-NA--
1-eicosenoyl-GPC (20:1)*LPC 20:1/0:0ME95917352924051NA--
1-erucoyl-GPC (22:1)*LPC 22:1/0:0ME95916153480471NA--
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME95916324779481NA--
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*PE 18:2/20:4ME959255348279332NA--
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME95926152922731NA--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME95914552925130NA--
1-margaroyl-2-arachidonoyl-GPC (17:0/20:4)*PC 17:0/20:4ME959238-NA--
1-margaroyl-2-linoleoyl-GPC (17:0/18:2)*PC 17:0/18:2ME95922852922491NA--
1-margaroyl-2-oleoyl-GPC (17:0/18:1)*PC 17:0/18:1ME959227-NA--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME95924324778634NA--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME959120129657NA--
1-nisinoyl-GPC (24:6)*LPC 24:6/0:0ME959312-NA--
1-nonadecanoyl-GPC (19:0)LPC 19:0/0:0ME959174-NA--
1-nonadecenoyl-GPC (19:1)*LPC 19:1/0:0ME959311-NA--
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME959254348281223NA--
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*PI 18:1/20:4ME959276-NA--
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME95924024778955NA--
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1/18:2ME95920224778939NA--
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME9592359546753NA--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME9591449547071NA--
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1/18:3ME95926252922452NA--
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*PC 16:1/18:2ME95923424778768NA--
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME95913724779461NA--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME959208-NA--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME9591906441886NA--
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME9592069546799NA--
1-palmitoyl-2-eicosapentaenoyl-GPC (16:0/20:5)*PC 16:0/20:5ME95920424778723NA--
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME9591105287971NA--
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME9591499546747NA--
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME95910946891795NA--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME9591085283496NA--
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME95923271296232NA--
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME9592036443788NA--
1-palmitoyl-2-pentadecanoyl-GPC (16:0/15:0)*PC 16:0/15:0ME95930624778680NA--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME9591439547069NA--
1-palmityl-2-linoleoyl-GPC (O-16:0/18:2)*PC O-16:0/18:2ME9592426443157NA--
1-palmityl-2-palmitoyl-GPC (O-16:0/16:0)*PC O-16:0/16:0ME959278145911NA--
1-palmityl-2-stearoyl-GPC (O-16:0/18:0)*PC O-16:0/18:0ME95927711803170NA--
1-palmityl-GPC (O-16:0)LPC O-16:0ME9591153983NA--
1-pentadecanoyl-2-arachidonoyl-GPC (15:0/20:4)*PC 15:0/20:4ME95923652922330NA--
1-pentadecanoyl-2-docosahexaenoyl-GPC (15:0/22:6)*PC 15:0/22:6ME95923752922342NA--
1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*PC 15:0/18:2ME95922624778664NA--
1-pentadecanoyl-GPC (15:0)*LPC 15:0/0:0ME95915724779458NA--
1-stearoyl-2-adrenoyl-GPC (18:0/22:4)*PC 18:0/22:4ME95924624778868NA--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME95914816219824NA--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME959116-NA--
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME95915024779545NA--
1-stearoyl-2-dihomo-linolenoyl-GPC (18:0/20:3n3 or...PC 18:0/20:3ME959229-NA--
1-stearoyl-2-dihomo-linolenoyl-GPE (18:0/20:3n3 or...PE 18:0/20:3ME95925252924903NA--
1-stearoyl-2-dihomo-linolenoyl-GPI (18:0/20:3n3 or...PI 18:0/20:3ME959251-NA--
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME95919124778876NA--
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME9592079546798NA--
1-stearoyl-2-docosapentaenoyl-GPC (18:0/22:5n3)*PC 18:0/22:5(7Z,10Z,13Z,16Z,19Z)ME95924424778873NA--
1-stearoyl-2-docosapentaenoyl-GPC (18:0/22:5n6)*PC 18:0/22:5(4Z,7Z,10Z,13Z,16Z)ME95924524778871NA--
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME9592016441487NA--
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME9591999546749NA--
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME959209-NA--
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME95918824778825NA--
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME9591479546742NA--
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME959250-NA--
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME959127497300NA--
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME9591359547068NA--
1-stearyl-2-arachidonoyl-GPC (O-18:0/20:4)*PC O-18:0/20:4ME959221-NA--
2-myristoyl-GPC (14:0)*LPC 0:0/14:0ME959141460604NA--
3-hydroxydecanoylcarnitineCAR 10:0;3OHME959315121454166NA--
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME959310129637446NA--
3-hydroxypalmitoylcarnitineCAR 16:0;3OHME959309126456228NA--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME95930791825571NA--
arachidonoylcarnitine (C20:4)CAR 20:4ME959297136212424NA--
arachidonoylcholineArachidonoylcholineME959259122198216NA--
arachidoylcarnitine (C20)*CAR 20:0ME95929553477833NA--
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME95922344260132NA--
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME95918244260125NA--
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME959284-NA--
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME959282-NA--
cis-3,4-methyleneheptanoylcarnitine-ME959317-NA--
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME95915957357170NA--
dihomo-linolenoylcarnitine (C20:3n3 or 6)*-ME959300-NA--
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME959299-NA--
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME959302-NA--
docosahexaenoylcholineDocosahexaenoylcholineME959260-NA--
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME95930471464594NA--
eicosenoylcarnitine (C20:1)*CAR 20:1ME959298-NA--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME959305-NA--
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME959283-NA--
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME959152-NA--
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME959258-NA--
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME959153-NA--
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME959313-NA--
laurylcarnitine (C12)CAR 12:0ME959133168381NA--
lignoceroylcarnitine (C24)*CAR 24:0ME959296-NA--
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME959185-NA--
linolenoylcarnitine (C18:3)*CAR 18:3ME959294-NA--
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME9592659543796NA--
linoleoylcarnitine (C18:2)*CAR 18:2ME9591676450015NA--
linoleoylcholine*alpha-LinoleoylcholineME95928653481656NA--
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME9592689543899NA--
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME95926714275409NA--
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME9592729543729NA--
margaroylcarnitine (C17)*CAR 17:0ME95916853477803NA--
myristoleoylcarnitine (C14:1)*CAR 14:1ME959179129691961NA--
myristoylcarnitine (C14)CAR 14:0ME9591266426854NA--
nervonoylcarnitine (C24:1)*CAR 24:1ME959303-NA--
N-palmitoyl-phytosphingosine (t18:0/16:0)Cer 18:0;O3/16:0ME95930810506988NA--
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME959279-NA--
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME9592255283572NA--
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME9591075283564NA--
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME9591135283565NA--
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME959177-NA--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME9592709543786NA--
oleoylcarnitine (C18:1)CAR 18:1(9Z)ME9591366441392NA--
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*-ME95927314275403NA--
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME95916414275396NA--
palmitoleoylcarnitine (C16:1)*CAR 16:1ME95926471464547NA--
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME9592699543699NA--
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME9592669543736NA--
palmitoylcholinePalmitoylcholineME959257151731NA--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME9591959939965NA--
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...DG 16:0_22:6ME9592809543827NA--
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME959271-NA--
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME9592309543695NA--
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME959231131801744NA--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME9591569939941NA--
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...CerPE 18:1;O2/16:0ME959316-NA--
pentadecanoylcarnitine (C15)*CAR 15:0ME959301123132011NA--
phosphatidylcholine (18:0/20:2, 20:0/18:2)*-ME959263-NA--
sphingadienineSphingadienineME9592816449795NA--
sphinganine-1-phosphateSphinganine 1-phosphateME959151520NA--
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME959186-NA--
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME95922444260130NA--
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME95916911433862NA--
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME95919346891763NA--
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME9591556443882NA--
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME959288-NA--
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME95918044260124NA--
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME959181-NA--
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME959222-NA--
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME959183-NA--
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME959184-NA--
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME95917644260126NA--
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME959293-NA--
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME959175-NA--
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME959170-NA--
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME95928952931155NA--
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME959291-NA--
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME959197134757653NA--
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME959292-NA--
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME95919885336023NA--
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME959290-NA--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME9592756438587NA--
stearoylcarnitine (C18)CAR 18:0ME9591323006797NA--
stearoylcholine*StearoylcholineME95928590111NA--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME959196-NA--
undecenoylcarnitine (C11:1)CAR 11:1ME959314-NA--


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
flavin adenine dinucleotide (FAD)FADME959336643975C00016--
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME959329439155C00021--
pyruvatePyruvic acidME9593531060C00022--
sulfate*SulfateME9595385152822C00059--
flavin mononucleotide (FMN)FMNME959406643976C00061--
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME9593461005C00074--
glycerolGlycerolME959384753C00116--
histidineHistidineME9593386274C00135--
3-methyl-2-oxobutyrateKetoisovaleric acidME95942949C00141--
malateMalic acidME959341525C00149,C00711,C00497--
citrateCitric acidME959374311C00158--
thymineThymineME9593551135C00178--
benzoateBenzoic acidME959399243C00180--
oxalate (ethanedioate)Oxalic acidME959426971C00209--
thymidineThymidineME9593545789C00214--
arachidonate (20:4n6)Arachidonic acidME959332444899C00219--
4-methyl-2-oxopentanoateKetoleucineME95941270C00233--
butyrate/isobutyrate (4:0)Butyric acidME959381264C00246--
palmitate (16:0)Palmitic acidME959342985C00249--
pyridoxalPyridoxalME9593471050C00250--
riboflavin (vitamin B2)RiboflavinME959348493570C00255--
EDTAEdetic acidME9594326049C00284--
inosineInosineME9593396021C00294--
uridineUridineME9593506029C00299--
adenosine 5'-diphosphoribose (ADP-ribose)ADP-riboseME959331192C00301--
urateUric acidME9593761175C00366--
guanosineGuanosineME9593716802C00387--
aconitate [cis or trans]cis-Aconitic acidME959475-C004174,C02341--
cinnamatetrans-Cinnamic acidME959385444539C00423--
5,6-dihydrouracilDihydrouracilME959375649C00429--
N-delta-acetylornithineN(5)-Acetyl-ornithineME9595749920500C00437--
2'-deoxyuridineDeoxyuridineME95935113712C00526--
hydroquinone sulfateQuinol sulfateME959497161220C00530--
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME9593306076C00575--
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME959323127C00642--
cholateCholic acidME959322221493C00695--
valerate (5:0)Valeric acidME9593787991C00803--
pyridoxate4-Pyridoxic acidME9594446723C00847--
pantothenatePantothenic acidME9593656613C00864--
guanosine-3',5'-cyclic monophosphate (cGMP)3',5' cyclic GMPME959321135398569C00942--
indoleacetateIndoleacetic acidME959433802C00954--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME95952776406C01073--
1-methylhistidine1-MethylhistidineME95943592105C01152--
3-methylhistidine3-MethylhistidineME95940564969C01152--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME959380979C01179--
N-acetylpyrralineDehydroepiandrosteroneME959596-C01227--
2-methylcitrate/homocitrateHomocitric acidME959617-C01251--
stearate (18:0)Stearic acidME9593445281C01530--
caprate (10:0)Capric acidME9593562969C01571--
caproate (6:0)Caproic acidME9593618892C01585--
hippurateHippuric acidME959402464C01586--
linoleate (18:2n6)Linoleic acidME9593255280450C01595--
pelargonate (9:0)Pelargonic acidME9593438158C01601--
kynurenateKynurenic acidME9593203845C01717--
xanthosineXanthosineME95940764959C01762--
thyroxineThyroxineME9593705819C01829--
glycocholateGlycocholic acidME95933710140C01921--
indolelactateIndolelactic acidME95940992904C02043--
pseudouridinePseudouridineME95935215047C02067--
corticosteroneCorticosteroneME9593345753C02140--
phenol sulfatePhenyl hydrogen sulfateME95948874426C02180--
5-oxoprolinePyroglutamic acidME959364-C02237,C01879--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME95942545C02287--
4-chlorobenzoic acid4-Chlorobenzoic acidME9596966318C02370--
chenodeoxycholateChenodeoxycholic acidME95937310133C02528--
dodecanedioate (C12-DC)Dodecanedioic acidME95944112736C02678--
laurate (12:0)Lauric acidME9593263893C02679--
N-acetylleucineN-AcetylleucineME95936670912C02710--
N-acetylmethionineN-AcetylmethionineME959367448580C02712--
N6-acetyllysineN6-AcetyllysineME95951292832C02727--
2-hydroxystearate2-Hydroxystearic acidME959383-C03042,C03045--
N-acetyltryptophanN-Acetyl-tryptophanME959463-C03137--
N-formylmethionineN-FormylmethionineME959328439750C03145--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME9595135280581C03242--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME959417-C03264--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME959404-C03465,C06008,C00671--
N-acetylphenylalanineN-AcetylphenylalanineME95946474839C03519--
taurolithocholate 3-sulfateTaurolithocholic acid 3-sulfateME959510440071C03642--
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME9593339378C03672--
lithocholateLithocholic acidME9593409903C03990--
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME9594826419701C04036--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME95947792258C04148--
deoxycholateDeoxycholic acidME959335-C04483--
taurocholateTaurocholic acidME959394-C05122--
N-acetylhistamineN-AcetylhistamineME95959769602C05135--
taurodeoxycholateTaurodeoxycholic acidME9593952733768C05463--
glycodeoxycholateGlycodeoxycholic acidME9594083035026C05464--
taurochenodeoxycholateTaurochenodeoxycholic acidME959393387316C05465--
glycochenodeoxycholateGlycochenodeoxycholic acidME95939212544C05466--
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME959600-C05480--
11-dehydrocorticosterone11-DehydrocorticosteroneME9595406290C05490--
4-hydroxyphenylacetylglycineHydroxyphenylacetylglycineME959571440732C05596--
phenyllactate (PLA)Phenyllactic acidME9594213848C05607--
4-vinylphenol sulfate4-HydroxystyreneME9595146426766C05627--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME959400107C05629--
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME9593191826C05635--
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME95948569698C05842--
biopterinBiopterinME959391445040C06313--
caprylate (8:0)Caprylic acidME959362379C06423--
myristate (14:0)Myristic acidME95934911005C06424--
arachidate (20:0)Arachidic acidME95935910467C06425--
linolenate [alpha or gamma; (18:3n3 or 6)]-ME959474-C06426,C06427--
eicosapentaenoate (EPA; 20:5n3)EPAME959398446284C06428--
docosahexaenoate (DHA; 22:6n3)DHAME959416445580C06429--
genisteinGenisteinME9594595280961C06563--
phenylacetatePhenyl acetateME959401999C07086--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME95941364960C07326--
2-hydroxyhippurate (salicylurate)Salicyluric acidME95939610253C07588--
ursodeoxycholateUrsodeoxycholic acidME95937731401C07880--
azelate (C9-DC)Azelaic acidME9593972266C08261--
isovalerate (i5:0)Isovaleric acidME95941810430C08262--
sebacate (C10-DC)Sebacic acidME9594575192C08277--
suberate (C8-DC)Suberic acidME95940310457C08278--
erucate (22:1n9)cis-Erucic acidME959369-C08316--
myristoleate (14:1n5)Myristoleic acidME9594565281119C08322--
palmitoleate (16:1n7)Palmitoleic acidME959345445638C08362--
jasmonic acidJasmonic acidME9595075281166C08491--
3-formylindole1H-Indole-3-carboxaldehydeME95965910256C08493--
thymol sulfateThymol sulfateME95951612456386C09908--
daidzeinDaidzeinME9594585281708C10208--
S-methylglutathioneS-MethylglutathioneME959465115260C11347--
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME95950591C11457--
4-ethylphenylsulfate4-EthylphenylsulfateME95951520822574C13637--
1-arachidonylglycerol (20:4)MG 20:4ME959481-C13857--
10-undecenoate (11:1n1)10-Hendecenoic acidME95945514891C13910--
docosadioate (C22-DC)Docosanedioic acidME9595477641C14240--
13-HODE + 9-HODEHODEME959532-C14767,C14762--
12-HETE12-HETEME9595295283155C14777--
9,10-DiHOME9,10-DiHOMEME9593249966640C14828--
12,13-DiHOME12,13-DiHOMEME95931810236635C14829--
6beta-hydroxylithocholateMurideoxycholic acidME9595065283821C15515--
taurohyocholate*Taurohyocholic acidME95956311954195C15516--
hyodeoxycholateHyodeoxycholic acidME9594225283820C15517--
N-acetylcitrullineN-AcetylcitrullineME959493656979C15532,C02851--
N-formylkynurenineN-FormylkynurenineME959327910C15605,C02406,C02700--
stearidonate (18:4n3)Stearidonic acidME9594605312508C16300--
heptadecatrienoate (17:3)*Heptadecatrienoic acidME95967516061034C16344--
palmitoyl ethanolamidePalmitoyl-EAME9593884671C16512--
docosapentaenoate (n3 DPA; 22:5n3)DPAME9594516441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME9594956441454C16513--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME9593826439848C16525--
eicosenoate (20:1)cis-Gondoic acidME959473-C16526--
adrenate (22:4n6)Adrenic acidME959453-C16527--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME9594525282807C16533--
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME9594545312556C16534--
nonadecanoate (19:0)Nonadecenoic acidME95935812591C16535--
pentadecanoate (15:0)Pentadecylic acidME95936313849C16537--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME959545-C16995--
3beta-hydroxy-5-cholestenoateCholestenoic acidME959608165511C17333--
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME9595003081084C17335--
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME9594993081085C17337--
ursocholateUrsocholic acidME959544122340C17644--
alpha-muricholatealpha-Muricholic acidME95947153477700C17647--
hyocholateHyocholic acidME95947092805C17649--
heptanoate (7:0)Heptylic acidME9593608094C17714--
beta-muricholatebeta-Muricholic acidME9594385283853C17726--
16-hydroxypalmitateJuniperic acidME95954810466C18218--
hexadecanedioate (C16-DC)Hexadecanedioic acidME95950210459C19615--
oleamideOleamideME9593905283387C19670--
indole-3-carboxylateIndole-3-carboxylic acidME95953169867C19837--
12-HHTrE-ME9593865283141C20388--
4-hydroxycoumarin4-HydroxycoumarinME95952454682930C20414--
beta-citrylglutamateBeta-Citryl-glutamic acidME959554189741C20775--
3-hydroxyoctanoate3-Hydroxyoctanoic acidME95942026613C20793--
pyrralinePyrralineME95951714274616C21013--
oleate/vaccenate (18:1)Oleic acidME959618-C21944,C08367,C01712,C00712--
4-acetamidobenzoate4-Acetamidobenzoic acidME9596306918889D03836--
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME9594695312435NA--
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME9594685312513NA--
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1ME959580-NA--
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0ME95954210917802NA--
1,2,3-benzenetriol sulfate (2)Pyrogallol sulfateME959609-NA--
12-ketolithocholate12-Ketolithocholic acidME9596783080612NA--
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME959535151014NA--
14-HDoHE/17-HDoHE-ME959626-NA--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME9595363083779NA--
18-methylnonadecanoate (i20:0)Isoarachidic acidME9596454383090NA--
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME95957242607498NA--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME959508121596217NA--
1-dihomo-linolenoyl-GPE (20:3n3 or 6)*LPE 20:3/0:0ME959579-NA--
1-docosahexaenoylglycerol (22:6)MG 22:6ME95948753480995NA--
1-docosahexaenoyl-GPE (22:6)*LPE 22:6/0:0ME959525-NA--
1-eicosapentaenoyl-GPE (20:5)*LPE 20:5/0:0ME95957553480938NA--
1-linoleoylglycerol (18:2)MG 18:2ME9594345283469NA--
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME959624-NA--
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME959625-NA--
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME95951911124828NA--
1-linoleoyl-GPS (18:2)*LPS 18:2/0:0*ME959578-NA--
1-margaroyl-GPE (17:0)*LPE 17:0/0:0ME95953052925149NA--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME9594285283468NA--
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME959585-NA--
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME95951886289645NA--
1-oleoyl-GPS (18:1)LPS 18:1/0:0ME95941485036846NA--
1-palmitoleoylglycerol (16:1)*MG 16:1ME959621-NA--
1-palmitoleoyl-GPE (16:1)*LPE 16:1/0:0ME95952053480923NA--
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME9595863300276NA--
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME95950971296207NA--
1-palmityl-GPE (O-16:0)*LPE O-16:0ME959636-NA--
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME959415-NA--
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME95957074819135NA--
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME959632301941NA--
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME959680-NA--
2,4-di-tert-butylphenol2,4-Ditert-butylphenolME959698-NA--
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME9596769338NA--
2,8-quinolinediol sulfate2,8-Quinolinediol sulfateME959568-NA--
2-acetamidophenol sulfate2-Acetamidophenol sulfateME959601181671NA--
2-aminophenol sulfate2-Aminophenyl sulfateME959569181670NA--
2-arachidonoyl-GPI (20:4)*LPI 0:0/20:4ME959537-NA--
2-butenoylglycine2-ButenoylglycineME9596436303498NA--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME959490164623NA--
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME9596445225199NA--
2-hydroxybehenate2-Hydroxy behenic acidME959637193484NA--
2-hydroxydecanoate2-Hydroxycapric acidME95956421488NA--
2-hydroxypalmitate2-Hydroxypalmitic acidME959494-NA--
2-hydroxysebacate2-Hydroxy-decanedioic acidME959666128458NA--
2-methoxyhydroquinone sulfate (1)2-Methoxyhydroquinone sulfateME959697-NA--
2-naphthol sulfate2-Naphthyl sulfateME95967274428NA--
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME9594305319879NA--
2'-O-methylcytidine2'-O-MethylcytidineME959633150971NA--
2'-O-methyluridine2'-O-MethyluridineME959634102212NA--
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME959689-NA--
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME959491122164832NA--
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME95949215061532NA--
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME959561-NA--
2-stearoyl-GPI (18:0)*LPI 0:0/18:0ME959549131770413NA--
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME959480171198NA--
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME959583187488NA--
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME95968724721632NA--
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME959692134581543NA--
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME959652194501NA--
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME959450123979NA--
3-dehydrocholate3-Dehydrocholic acidME959436159655NA--
3-dehydrodeoxycholate3-Ketodeoxycholic acidME959679160738NA--
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME959449188979NA--
3-hydroxy-2-methylpyridine sulfate-ME959681-NA--
3-hydroxycinnamate sulfate3-Hydroxycinnamate sulfateME9595906443141NA--
3-hydroxydecanoate3-Hydroxydecanoic acidME95943126612NA--
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME959607151492NA--
3-hydroxyhippurate3-Hydroxyhippuric acidME959528450268NA--
3-hydroxyindolin-2-one sulfate3-Hydroxyindolin-2-one sulfateME959593-NA--
3-hydroxylaurate3-Hydroxydodecanoic acidME95944394216NA--
3-hydroxymyristate3-Hydroxytetradecanoic acidME95942716064NA--
3-hydroxyoleate*-ME959646-NA--
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME959592-NA--
3-hydroxysebacate3-Hydroxysebacic acidME9594453017884NA--
3-hydroxystearate3-Hydroxystearic acidME9596205282907NA--
3-indoleglyoxylic acid3-Indoleglyoxylic acidME95966473863NA--
3-indoxyl sulfateIndoxyl sulfateME95941010258NA--
3-methoxycatechol sulfate (2)3-Methoxycatechol sulfateME959610-NA--
4-acetylphenol sulfate4-Acetylphenyl sulfateME9594194684006NA--
4-allylcatechol sulfate4-Allylcatechol sulfateME959674-NA--
4-allylphenol sulfate4-Allylphenol sulfateME95952266633409NA--
4-ethylcatechol sulfate4-Ethylcatechol sulfateME959673-NA--
4-ethylphenol glucuronide4-Ethylphenol glucuronideME959623-NA--
4-hydroxycinnamate sulfate4-Hydroxycinnamic acid sulfateME9595916070438NA--
4-hydroxyhippurate4-Hydroxyhippuric acidME959478151012NA--
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME95956554104170NA--
5,6-dihydrouridine5,6-DihydrouridineME95947994312NA--
5-dodecenoate (12:1n7)5-Dodecenoic acidME9594615312378NA--
5-hydroxyhexanoate5-Hydroxycaproic acidME959446170748NA--
5-methyluridine (ribothymidine)RibothymidineME959483445408NA--
6-bromotryptophan6-BromotryptophanME9596689856996NA--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME959604122198196NA--
6-oxolithocholate6-Ketolithocholic acidME959439164960NA--
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME9595733014237NA--
7-hydroxyindole sulfate-ME959622-NA--
7-ketodeoxycholate7-Ketodeoxycholic acidME959437188292NA--
alpha-CEHCalpha-CEHCME9595339943542NA--
alpha-CEHC glucuronide*alpha-CEHC glucuronideME959550134819285NA--
alpha-CEHC sulfatealpha-CEHC sulfateME959589-NA--
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME959440159663NA--
benzyl alcohol glucuronide-ME9596039795797NA--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME95938769362NA--
bilirubin degradation product, C17H18N2O4 (1)**-ME959700-NA--
bilirubin degradation product, C17H18N2O4 (2)**-ME959701-NA--
bilirubin degradation product, C17H18N2O4 (3)**-ME959702-NA--
bilirubin degradation product, C17H20N2O5 (1)**-ME959703-NA--
bilirubin degradation product, C17H20N2O5 (2)**-ME959704-NA--
branched chain 14:0 dicarboxylic acid**-ME959688-NA--
branched-chain, straight-chain, or cyclopropyl 10:...-ME959691-NA--
branched-chain, straight-chain, or cyclopropyl 12:...-ME959693-NA--
butyrylglycine-ME95944888412NA--
catechol glucuronideCatechol glucuronideME95962775124209NA--
catechol sulfateCatechol sulfateME9594983083879NA--
C-glycosyltryptophanC-GlycosyltryptophanME95961210981970NA--
chenodeoxycholic acid sulfate (1)Chenodeoxycholic acid sulfateME95969021252308NA--
cinnamoylglycineCinnamoylglycineME959534709625NA--
cis-3,4-methyleneheptanoate-ME959695-NA--
cis-3,4-methyleneheptanoylglycine-ME959699-NA--
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME9595415282726NA--
daidzein 7-O-glucuronideDaidzein 7-glucuronideME95965411316354NA--
daidzein sulfate (1)Daidzein sulfateME95960512114465NA--
daidzein sulfate (2)Daidzein sulfateME95960612114465NA--
decadienedioic acid (C10:2-DC)**Decadienedioic acidME95969417789717NA--
delta-CEHC sulfate-ME959671-NA--
dihydroferulateDihydroferulic acidME95955614340NA--
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME959662187489NA--
docosatrienoate (22:3n6)*10Z,13Z,16Z-Docosatrienoic acidME95963875955220NA--
dodecadienoate (12:2)*Dodecadienoic acidME95966925480NA--
dodecenedioate (C12:1-DC)*Traumatic acidME9596485283028NA--
eicosanedioate (C20-DC)Eicosanedioic acidME95954675502NA--
eicosenedioate (C20:1-DC)*-ME959685-NA--
enterolactone sulfateEnterolactone sulfateME959667-NA--
equol glucuronideEquol glucuronideME95956046781484NA--
equol sulfateEquol 4'-sulfateME959555-NA--
ethyl alpha-glucopyranoside-ME95964111127487NA--
ethyl beta-glucopyranosideEthyl glucosideME959665121667NA--
ferulic acid 4-sulfateFerulic acid 4-sulfateME9595826305574NA--
gamma-CEHCgamma-CEHCME959526133098NA--
gamma-CEHC glucuronide*gamma-CEHC glucuronideME959567121596235NA--
gamma-CEHC sulfategamma-CEHC sulfateME959670-NA--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME959411111299NA--
gamma-glutamyltyrosinegamma-GlutamyltyrosineME95937294340NA--
genistein glucuronide*-ME959658-NA--
genistein sulfate*Genistein sulfateME959655-NA--
glycine conjugate of C10H14O2 (1)*-ME959661-NA--
glycitein glucuronide (2)*-ME959682-NA--
glycitein sulfate (2)Glycitein sulfateME959683-NA--
glyco-alpha-muricholate**Gly-alphaMCAME959656-NA--
glyco-beta-muricholate**Gly-betaMCAME959657-NA--
glycohyodeoxycholateGlycohyodeoxycholic acidME959558114611NA--
guaiacol sulfateGuaiacol sulfateME95956622473NA--
heneicosapentaenoate (21:5n3)6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME95964011998573NA--
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME95962913932172NA--
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME95962891820460NA--
hexadecenedioate (C16:1-DC)*-ME959649-NA--
hexanoylglycineNA-Gly 6:0ME95948999463NA--
hexanoyltaurineNA-Taurine 6:0ME9596862245940NA--
indoleacetylglycineN-IndoleacetylglycineME959616446640NA--
indoleacrylateIndoleacrylic acidME9594235375048NA--
indoxyl glucuronideInodxyl glucuronideME9596192733785NA--
isocaproate (i6:0)Isocaproic acidME95942412587NA--
isohyodeoxycholateIsohyodeoxycholic acidME9596425283822NA--
isovalerylglycineIsovalerylglycineME959484546304NA--
linoleamide (18:2n6)LinoleamideME9593896435901NA--
linoleoyl ethanolamideLinoleoyl-EAME9596155283446NA--
maltol sulfateMaltol sulfateME959594-NA--
margarate (17:0)Margaric acidME95935710465NA--
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME9594865312531NA--
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME95959510657183NA--
methyl glucopyranoside (alpha + beta)Methyl glucoseME959588-NA--
N2,N5-diacetylornithineN2,N5-DiacetylornithineME95957765977NA--
N2,N6-diacetyllysineN,N'-Diacetyl-lysineME95959891827NA--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME959476161466NA--
N6-succinyladenosineSuccinyladenosineME959511165243NA--
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME95965395555NA--
N-acetylisoleucineN-AcetylisoleucineME959467306109NA--
N-acetylkynurenine (2)N-AcetylkynurenineME95961173817779NA--
N-acetyltaurineN-AcetyltaurineME959584159864NA--
N-acetylthreonineN-AcetylthreonineME959466152204NA--
N-acetyltyrosineN-AcetyltyrosineME95944268310NA--
N-acetylvalineN-AcetylvalineME95936866789NA--
naringenin 7-glucuronideNaringenin 7-glucuronideME959635-NA--
nisinate (24:6n3)THAME95963911792612NA--
N-lactoyl isoleucineN-Lactoyl isoleucineME959705-NA--
N-lactoyl leucineN-Lactoyl leucineME959706-NA--
N-lactoyl phenylalanineN-Lactoyl phenylalanineME959707-NA--
N-lactoyl valineN-Lactoyl valineME959708-NA--
N-linoleoyltaurine*NA-Taurine 18:2(9Z,12Z)ME95958752922081NA--
N-oleoyltaurineNA-Taurine 18:1(9Z)ME9595516437033NA--
nonadecanedioate (C19-DC)-ME95964712572015NA--
N-palmitoylglycineNA-Gly 16:0ME959557151008NA--
N-palmitoyltaurineNA-Taurine 16:0ME95955214504290NA--
N-stearoyltaurineNA-Taurine 18:0ME959553168274NA--
o-cresol sulfateo-Cresol sulfateME95952111615528NA--
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME959651-NA--
octadecanedioate (C18-DC)Octadecanedioic acidME95950370095NA--
octadecenedioate (C18:1-DC)Octadecenedioic acidME9596509543674NA--
oleoyl ethanolamideOleoyl-EAME9593795283454NA--
O-sulfo-tyrosineSulfotyrosineME959581514186NA--
p-cresol glucuronide*P-Cresol glucuronideME959602154035NA--
p-cresol sulfatep-Cresol sulfateME9594724615423NA--
phenol glucuronidePhenyl glucuronideME95961487235NA--
phenylpropionylglycinePhenylpropionylglycineME959496152323NA--
propionylglycinePropionylglycineME95944798681NA--
resveratrol disulfate (1)*Resveratrol disulfateME959660-NA--
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME959576119083NA--
S-methylcysteineMethylcysteineME959539-NA--
tauro-alpha-muricholateTauro-alpha-muricholic acidME959562101657566NA--
tauro-beta-muricholateTauro-beta-muricholic acidME959462-NA--
taurocholenate sulfate*Taurocholenate sulfateME959523-NA--
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME959613-NA--
taurohyodeoxycholic acidTaurohyodeoxycholic acidME95955912443252NA--
tauroursodeoxycholateTauroursodeoxycholic acidME9595439848818NA--
tauroursodeoxycholic acid sulfate (2)-ME959677-NA--
tetradecadienedioate (C14:2-DC)*-ME95968486018718NA--
tetradecadienoate (14:2)*Tetradecadienoic acidME9596635312409NA--
tetradecanedioate (C14-DC)Tetradecanedioic acidME95950113185NA--
trans-3,4-methyleneheptanoylglycine-ME959631129822188NA--
undecanedioate (C11-DC)Undecanedioic acidME95950415816NA--
vanillactateVanillactic acidME959599160637NA--


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
alpha-ketoglutarate2-Oxoglutaric acidME95971151C00026--
glucoseGlucoseME9597315793C00031--
succinateSuccinic acidME9597181110C00042--
sucroseSucroseME9597405988C00089--
fructoseFructoseME9597372723872C00095--
uracilUracilME9597351174C00106--
alpha-ketobutyrate3-Methyl pyruvic acidME95973258C00109--
fumarateFumaric acidME959721444972C00122--
myo-inositolMyo-inositolME959724892C00137--
mannoseMannoseME959733-C00159,C02209,C00936--
phenylpyruvatePhenylpyruvic acidME959717997C00166--
xyloseXyloseME959736135191C00181--
lactateLactic acidME959728612C00186--
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME959798161227C00204--
maltoseMaltoseME95973810991489C00208--
gluconateGluconic acidME959722-C00257--
glycerateGlyceric acidME959742-C00258--
N-acetylneuraminateN-Acetylneuraminic acidME959745439197C00270--
orotateOrotic acidME959727967C00295--
quinateQuinic acidME9597576508C00296--
2-oxoadipate2-Oxoadipic acidME95971071C00322--
dihydroorotate4,5-Dihydroorotic acidME959739648C00337--
arabitol/xylitolArabitolME959801-C00379,C00542,C01904--
ribitolRibitolME9597556912C00379,C01904,C00474,C00532--
malonateMalonic acidME959734867C00383--
mannitol/sorbitolSorbitolME959779-C00392,C00794--
N-carbamoylaspartateN-Carbamoylaspartic acidME95974393072C00438--
glutarate (C5-DC)Glutaric acidME959723-C00489--
allantoic acidAllantoic acidME959715203C00499--
arabonate/xylonateArabinonic acid/Xylonic acidME959799-C00502,C05411--
erythritolErythritolME959761222285C00503--
N-acetylglutamateN-Acetylglutamic acidME95975470914C00624--
gentisateGentisic acidME9597583469C00628--
trans-urocanateUrocanic acidME959730736715C00785--
gulonate*Gulonic acidME959772152304C00800--
pentose acid*-ME9598147991C00803--
salicylateSalicylic acidME959729338C00805--
4-hydroxycinnamatecis-p-Coumaric acidME959776637542C00811--
galactonateGalactonic acidME959765-C00880,C15930--
alpha-ketoglutaramate*2-Keto-glutaramic acidME95978848C00940--
2-aminoadipatealpha-Aminoadipic acidME95972592136C00956--
N-acetylaspartate (NAA)N-Acetylaspartic acidME95976065065C01042--
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME959792599C01127--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME95971211966314C01188,C06001--
maleateMaleic acidME959759444266C01384--
threonateThreonic acidME959764-C01620--
ribonateRibonic acidME9597635460677C01685--
sedoheptuloseSedoheptuloseME9597935459879C02076--
mevalonateMevalonic acidME959709449C02104--
methylmalonate (MMA)Methylmalonic acidME959726487C02170--
creatine phosphatePhosphocreatineME959751-C02305--
allantoinAllantoinME959741-C02348,C01551,C02350--
2-hydroxyadipate2-Hydroxyadipic acidME959766193530C02360--
2-isopropylmalate2-Isopropylmalic acidME95975677C02504--
2-hydroxyglutarate2-Hydroxyglutaric acidME95978443C02630--
pimelate (C7-DC)Pimelic acidME959750385C02656--
N-acetylglutamineN-AcetylglutamineME959767182230C02716--
N-acetylalanineN-AcetylalanineME95974488064C02847--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME959719-C03197,C01089--
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME95977454575349C03274--
quinolinateQuinolinic acidME9597141066C03722--
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME959713-C03761--
pinitolPinitolME959783164619C03844--
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME959789677C04039--
dehydroascorbateDehydroascorbic acidME959720440667C05422--
allo-threonineAllothreonineME95975399289C05519--
hydantoin-5-propionateHydantoin-5-propionic acidME959791782C05565--
N-formylanthranilic acidFormylanthranilic acidME959797101399C05653--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME95971611970C05852--
adipate (C6-DC)Adipic acidME959762196C06104--
N2-acetyllysineN(2)-AcetyllysineME95977792907C12989--
2-ketogulonate-ME959749102424C15673--
glucuronateGlucuronic acidME959752-C16245--
cholesterol sulfateCholesterol sulfateME95977365076C18043--
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME95980774483C18142--
tricarballylate1,2,3-Propanetricarboxylic acidME95974714925C19806--
chiro-inositol1D-chiro-InositolME959782-C19891--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME959802-C21297,C05984--
2,2'-methylenebis(6-tert-butyl-p-cresol)2,2'-Methylenebis(6-tert-butyl-p-cresol)ME9598108398NA--
2,4-dihydroxybutyrate2,4-Dihydroxybutanoic acidME959786192742NA--
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME95981311427NA--
2-O-methylascorbic acid2-O-Methylascorbic acidME95979454726398NA--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME95978713120901NA--
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME95978510964471NA--
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME959778150929NA--
3-carboxyadipate-ME959804222467NA--
3-hydroxyadipate3-Hydroxy-adipic acidME959796151913NA--
3-methyladipate3-Methyladipic acidME95978012292NA--
3-methylglutaconate3E-Methylglutaconic acidME9597901551553NA--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME95976999823NA--
ascorbic acid 2-sulfateAscorbic acid 2-sulfateME95980554676864NA--
ascorbic acid 3-sulfate*Ascorbic acid 3-sulfateME95981111425365NA--
caffeic acid sulfateCaffeic acid sulfateME95980621668705NA--
erythronate*Erythronic acidME9597702781043NA--
ethylmalonateEthylmalonic acidME95974811756NA--
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME959775167572NA--
heptenedioate (C7:1-DC)*Heptenedioic acidME959809-NA--
isocitric lactoneIsocitric acid lactoneME95980398259NA--
lyxonateD-Lyxonic acidME959808-NA--
mannonate*Mannonic acidME9597953246006NA--
methylsuccinateMethylsuccinic acidME95974610349NA--
N-acetylasparagineN-AcetylasparagineME95976899715NA--
N-acetylserineN-AcetylserineME95978165249NA--
orotidineOrotidineME95977192751NA--
perfluorohexanesulfonate (PFHxS)-ME959815-NA--
ribulose/xylulose-ME959800-NA--
succinoyltaurine-ME959812-NA--


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