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Analysis: Reversed phase 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-propanediolPropane-1,3-diolME82993410442C02457--
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME82993575810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME8299836451814---
1-methylnicotinamide1-Methyl nicotinamideME829859457C02918--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME829967440569C05131--
2-aminoheptanoate2-Aminoheptanoic acidME829993227939---
2'-deoxycytidineDeoxycytidineME82991913711C00881--
2'-O-methylcytidine2'-O-MethylcytidineME830003150971---
2-oxoarginine*2-OxoarginineME829981558C03771--
2-piperidinone2-PiperidinoneME82999112665---
3-amino-2-piperidone3-Amino-2-piperidoneME8300125200225---
3-hydroxystachydrine*3-HydroxystachydrineME83000746173781C10151--
3-methoxytyrosine3-MethoxytyrosineME8299169307---
3-methylcytidine3-MethylcytidineME82995214237477---
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME829996128145---
3-ureidopropionateUreidopropionic acidME829905111C02642--
4-guanidinobutanoate4-Guanidinobutanoic acidME829918500C01035--
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME82995510413C00989--
5,6-dihydrothymineDihydrothymineME82986193556C00906--
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME82997766995551---
5-methylcytidine5-MethylcytidineME82992492918---
5-methylthioadenosine (MTA)5'-MethylthioadenosineME829865439176C00170--
5-methylthioribose**5-MethylthioriboseME8299736419710---
7-methylguanine7-MethylguanineME829951135398679C02242--
7-methylxanthine7-MethylxanthineME82994668374C16353--
acetoacetateAcetoacetic acidME82991096C00164--
acetylcarnitine (C2)CAR 2:0ME8299257045767C02571--
adenineAdenineME829901190C00147--
adipoylcarnitine (C6-DC)CAR DC6:0ME82999971296139---
alanineAlanineME8298985950C00041--
anthranilate2-Aminobenzoic acidME829915227C00108--
argininate*Argininic acidME829980160437---
arginineArginineME8298676322C00062--
argininosuccinateArgininosuccinic acidME82986860150382C03406--
ascorbate (Vitamin C)Vitamin CME82986954670067D00018,C00072--
asparagineAsparagineME8299026267C00152--
aspartateAspartic acidME8298705960C00049--
beta-alaninebeta-AlanineME829871239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME829962----
betaineBetaineME829895247C00719--
betonicineBetonicineME829974164642C08269--
caffeineCaffeineME8299002519C07481--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME8299852572---
carnitineCarnitineME829917288C00487,C00308--
C-glycosyltryptophanC-GlycosyltryptophanME82999710981970---
cholineCholineME829914305C00114--
choline phosphateCholine phosphateME8298721014C00588--
citrullineCitrullineME8298809750C00327--
creatinineCreatinineME829873588C00791--
cyclo(leu-pro)Cyclo(Leu-Pro)ME8299707074739---
cys-gly, oxidizedCYS-GLY, oxidizedME829911333293---
cystathionineCystathionineME829875439258C02291--
cysteineCysteineME8298965862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME8299503080690R00900--
cysteinylglycineCys-GlyME829874439498C01419--
cysteinylglycine disulfide*Cysteinylglycine disulfideME82997822833544---
deoxycarnitine3-DehydroxycarnitineME82996622620C01181--
diacetylspermidine*-ME830011132680C03413--
dimethylarginine (SDMA + ADMA)DimethylarginineME829969-C21189,C03626--
dimethylglycineDimethylglycineME829897673C03626--
dimethyl sulfoneDimethyl sulfoneME8299906213C11142--
equol glucuronide-ME82998846781484---
ergothioneineErgothioneineME8299755351619C05570--
fructosyllysineFructosyllysineME8299959839580---
gabapentinGabapentinME8299823446D00332--
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME829954----
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME83000465254---
gamma-glutamylcitrulline*gamma-GlutamylcitrullineME830010----
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME8299387015685---
gamma-glutamylglutaminegamma-GlutamylglutamineME829908150914C05283--
gamma-glutamylhistidinegamma-GlutamylhistidineME8299127017195---
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME82995322885096---
gamma-glutamylmethioninegamma-GlutamylmethionineME8299437009567---
gamma-glutamylthreoninegamma-GlutamylthreonineME82994476078708---
gamma-glutamyltyrosinegamma-GlutamyltyrosineME82990794340---
gamma-glutamylvalinegamma-GlutamylvalineME8299317015683---
glutamateGlutamic acidME82989133032C00025,C00217--
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME82993068662---
glutamineGlutamineME8298925961C00064--
glutamine_degradant*-ME829959----
glutarylcarnitine (C5-DC)CAR DC5:0ME82996171317118---
glycerol 3-phosphatesn-Glycero-3-phosphateME829920754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME829965123874C01233--
glycineGlycineME829876750C00037--
guanosineGuanosineME8299066802C00387--
histidineHistidineME8298776274C00135--
homoarginineHomoarginineME8299269085C01924--
homocarnosineHomocarnosineME829857-C00884--
homostachydrine*(S)-HomostachydrineME829960441447C08283--
hydroxyasparagine**HydroxyasparagineME83000815991574C20631--
hydroxybupropionHydroxybupropionME829941446---
hydroxy-N6,N6,N6-trimethyllysine*-ME830016----
hypotaurineHypotaurineME829878107812C00519--
hypoxanthineHypoxanthineME829862-C00262--
imidazole lactateImidazolelactic acidME829921793C05568--
indoleacetateIndoleacetic acidME829927802C00954--
isobutyrylcarnitine (C4)CAR 3:0;2MeME829928168379---
isoleucineIsoleucineME8298796306C06418,C00407,C16424--
isovalerylcarnitine (C5)CAR 4:0;3MeME829945169235C20826--
kynurenateKynurenic acidME8298603845C01717--
kynurenineKynurenineME829922161166C00328--
leucineLeucineME8298816106C00123--
lidocaineLidocaineME8299573676D00358--
lysineLysineME8298825962C00739,C00047--
malonylcarnitineCAR DC3:0ME82995622833583---
methionine sulfoneMethionine sulfoneME82999469961---
methylsuccinoylcarnitine-ME830001----
N1-methyladenosine1-MethyladenosineME82991327476C02494--
N1-methylinosine1-MethylinosineME829947650095---
(N(1) + N(8))-acetylspermidineAsparagineME830006-C01029,C00612--
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME830015----
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME829948135501639---
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME829949161466---
N6-methyladenosineN6-MethyladenosineME829866102175---
N6-methyllysineN(6)-MethyllysineME829987164795C02728--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME830013193344C05545--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME829863440120C03793--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME829976193270---
N-acetylarginineN-AcetylarginineME82993967427C02562--
N-acetylasparagineN-AcetylasparagineME82993799715---
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME829964188803C12270--
N-acetylcarnosineN-AcetylcarnosineME8299899903482---
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME829998-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME829909123826C04540--
N-acetylglutamineN-AcetylglutamineME829936182230C02716--
N-acetyl-isoputreanineN-AcetylisoputreanineME830014131802901---
N-acetylputrescineN-AcetylputrescineME829864122356C02714--
N-ethylglycinexylidideMonoethylglycinexylidideME82995824415C16561--
nicotinamide ribosideNicotinamide ribosideME829942439924C03150--
N-methylprolineN-Methyl-prolineME829972643474---
N,N-dimethyl-pro-pro-ME830017----
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME83000514274897---
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME830009----
ornithineOrnithineME8298836262C00077--
phenylalaninePhenylalanineME8298846140C00079--
phosphatePhosphoric acidME8298851061C00009--
picolinatePicolinic acidME8299031018C10164--
pipecolatePipecolic acidME829904----
pregabalinPregabalinME8300005486971---
pro-hydroxy-proPro-hydroxyProME82993311902893---
prolineProlineME829886-C00148,C000763--
propionylcarnitine (C3)CAR 3:0ME829932107738C03017--
pyridoxalPyridoxalME8298871050C00250--
ranitidineRanitidineME8299793001055D00422--
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME82985611966181C04322--
S-allylcysteineS-AllylcysteineME82999298280---
serineSerineME8298885951C00065--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME82998482142---
spermidineSpermidineME8298581102C00315--
stachydrineStachydrineME829940115244C10172--
succinylcarnitine (C4-DC)CAR DC4:0ME82997171464481---
succinylglutamine-ME830002----
theobromineTheobromineME8299235429C07480--
threonineThreonineME8298936288C00188--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME82996322833596---
trigonelline (N'-methylnicotinate)TrigonellineME8299295570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME8299861145C01104--
tryptophan betaineLenticinME829968442106C09213--
tyrosineTyrosineME8298996057C00082--
ureaUreaME8298891176C00086--
uridineUridineME8298906029C00299--
valineValineME8298946287C00183--
X-10457-ME830018----
X-11787-ME830019----
X-11795-ME830020----
X-12100-ME830021----
X-12101-ME830022----
X-12127-ME830023----
X-12680-ME830024----
X-12689-ME830025----
X-13684-ME830026----
X-14056-ME830027----
X-16580-ME830028----
X-22162-ME830029----
X-23583-ME830030----
X-23587-ME830031----
X-23593-ME830032----
X-23639-ME830033----
X-23644-ME830034----
X-23666-ME830035----
X-23739-ME830036----
X-24228-ME830037----
X-24408-ME830038----
X-24411-ME830039----
X-24422-ME830040----
X-24520-ME830041----
X-24728-ME830042----
X-24736-ME830043----
X-25109-ME830044----
X-25217-ME830045----
X-25271-ME830046----
X-25790-ME830047----
X-25936-ME830048----
X-25983-ME830049----
X-26008-ME830050----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME83008434779384---
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME8300839547058---
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME830057452110D03585--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME830058129657---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME83006216081932C03916--
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME83007410747814C05208--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME8300756441886---
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME8300545287971---
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME8300566436017C13875--
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME8300816443788---
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME83007724778686C03889--
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME83006086554C04102--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME83006416219824---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME8300805289133C05210--
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME83007624778876---
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME8300829546798---
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME83007324778825---
alpha-tocopherolalpha-TocopherolME83005386472C02477--
bilirubin (Z,Z)BilirubinME8300525280352C00486--
cholesterolCholesterolME830051-C00187--
hemeHemeME83006326945C00032--
octanoylcarnitine (C8)CAR 8:0ME830059-C02838--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME8300789939965---
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME8300669939941---
piperinePiperineME830061638024C03882--
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME83006711433862---
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME8300656443882---
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME83007044260124---
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME830071----
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME830072----
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME83006944260126---
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME830068----
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME83007985336023---
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME8300556453725C00550--
X-13431-ME830085----
X-24027-ME830086----


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
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME83013764960C07326--
1-methylxanthine1-MethylxanthineME83015580220C16358--
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME830150497300---
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME830194----
2-aminooctanoate2-Aminocaprylic acidME83018069522---
2-aminophenol sulfate2-Aminophenyl sulfateME830181181670---
2'-deoxyuridineDeoxyuridineME83009813712C00526--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME830164164623---
2-methylcitrate2-Methylcitric acidME83008812898022C02225--
2-O-methylascorbic acid2-O-Methylascorbic acidME83017554726398---
2-oxoadipateOxoadipic acidME83008971C00322--
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME830159171198---
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME8300949378C03672--
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME830191194501---
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME830148123979---
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME830147188979---
3-hydroxydecanoate3-Hydroxydecanoic acidME83014526612---
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME830190151492---
3-hydroxyindolin-2-one3-Hydroxyindolin-2-oneME8301776097C11130--
3-hydroxyoctanoate3-Hydroxyoctanoic acidME83014026613C20793--
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME830188----
3-indoxyl sulfateIndoxyl sulfateME83013410258---
3-methoxytyramine sulfate3-Methoxytyramine sulfateME83018554133459---
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME830126-C03465,C06008,C00671--
3-methylhistidine3-MethylhistidineME83012764969C01152--
3-methylxanthine3-MethylxanthineME83014670639C16357--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME830123107C05629--
4-acetamidophenolAcetaminophenME8301181983C06804--
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME830128----
4-acetaminophen sulfateParacetamol sulfateME83012183939C06804--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME830112979C01179--
4-methyl-2-oxopentanoateKetoleucineME83013670C00233--
4-methylbenzenesulfonateToluene-4-sulfonic acidME83017285570C06677--
4-methylcatechol sulfate-ME83017854104170---
5,6-dihydrouracilDihydrouracilME830110649C00429--
5,6-dihydrouridine5,6-DihydrouridineME83015894312---
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME8300871826C05635--
5-methyltetrahydrofolate (5MeTHF)5-Methyl-THFME8301153729C00440--
5-methyluridine (ribothymidine)RibothymidineME830160445408---
5-oxoprolinePyroglutamic acidME830103-C02237,C01879--
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME8301823014237---
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME8301663081085C17337--
acisogaAcisogaME830184129397---
aconitate [cis or trans]cis-Aconitic acidME830154-C004174,C02341--
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME8300936076C00575--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME830138-C03264--
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME83017087120982C04295--
benzoateBenzoic acidME830122243C00180--
beta-citrylglutamateBeta-Citryl-glutamic acidME830176189741C20775--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME83012069362---
butyrate/isobutyrate (4:0)Butyric acidME830113264C00246--
catechol sulfateCatechol sulfateME8301653083879---
chenodeoxycholateChenodeoxycholic acidME83010810133C02528--
cholateCholic acidME830091221493C00695--
cis-3,4-methyleneheptanoate-ME830195----
citrateCitric acidME830109311C00158--
cortisolCortisolME8300975754C00735--
cortisoneCortisoneME830095222786C00762--
creatineCreatineME830114586C00300--
cysteine s-sulfateCysteine-S-sulfateME830142115015C05824--
cytidineCytidineME8301016175C00475--
deoxycholateDeoxycholic acidME830096-C04483--
dopamine 3-O-sulfateDopamine 3-O-sulfateME830189122136C13690--
ethyl beta-glucopyranoside-ME830193121667---
gamma-glutamylleucinegamma-GlutamylleucineME830117151023---
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME830135111299---
glycerolGlycerolME830116753C00116--
guaiacol sulfateGuaiacol sulfateME83017922473---
hippurateHippuric acidME830125464C01586--
homovanillate (HVA)Homovanillic acidME8300901738C05582--
indolelactateIndolelactic acidME83013392904C02043--
isovalerate (i5:0)Isovaleric acidME83013910430C08262--
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME83016269698C05842--
N2-methylguanosine2-MethylguanosineME830161135501934---
N4-acetylcytidineN4-AcetylcytidineME830156107461---
N6-acetyllysineN6-AcetyllysineME83016892832C02727--
N6-succinyladenosineSuccinyladenosineME830167165243---
N-acetylalanineN-AcetylalanineME83010788064C02847--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME83017176406C01073--
N-acetylhistidineN-AcetylhistidineME83015275619C02997--
N-acetylisoleucineN-AcetylisoleucineME830151306109---
N-acetylleucineN-AcetylleucineME83010470912C02710--
N-acetylmethionineN-AcetylmethionineME830105448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME83014974839C03519--
N-acetyltaurineN-AcetyltaurineME830187159864---
N-acetylvalineN-AcetylvalineME83010666789---
N-delta-acetylornithineN(5)-Acetyl-ornithineME8301839920500C00437--
N-formylmethionineN-FormylmethionineME830092439750C03145--
O-sulfo-L-tyrosineSulfotyrosineME830186514186---
oxalate (ethanedioate)Oxalic acidME830144971C00209--
paraxanthineParaxanthineME8301324687C13747--
p-cresol sulfatep-Cresol sulfateME8301534615423---
phenol sulfatePhenyl hydrogen sulfateME83016374426C02180--
phenylacetatePhenyl acetateME830124999C07086--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME83015792258C04148--
phenyllactate (PLA)Phenyllactic acidME8301413848C05607--
S-methylcysteineMethylcysteineME830174----
sulfate*SulfateME8301735152822C00059--
tartarateTartaric acidME830129-C00552,C02107,C00898--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME83014345C02287--
tetradecadienoate (14:2)*Tetradecadienoic acidME8301925312409---
theophyllineTheophyllineME8301312153C07130--
thymol sulfateThymol sulfateME83016912456386C09908--
topiramateTopiramateME8301195284627D00537--
tryptophanTryptophanME8300996305C00078--
uracilUracilME8301001174C00106--
urateUric acidME8301111175C00366--
X-11299-ME830196----
X-11381-ME830197----
X-11478-ME830198----
X-11612-ME830199----
X-12007-ME830200----
X-12015-ME830201----
X-12026-ME830202----
X-12104-ME830203----
X-12411-ME830204----
X-12844-ME830205----
X-12906-ME830206----
X-13728-ME830207----
X-15245-ME830208----
X-15674-ME830209----
X-18887-ME830210----
X-19438-ME830211----
X-21286-ME830212----
X-21733-ME830213----
X-22143-ME830214----
X-23195-ME830215----
X-24295-ME830216----
X-24337-ME830217----
xanthineXanthineME8301021188C00385--
xanthosineXanthosineME83013064959C01762--


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME830258----
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME830285677C04039--
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME8302989338---
2-hydroxyadipate2-Hydroxyadipic acidME830269193530C02360--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME830295-C21297,C05984--
2-hydroxyglutarate2-Hydroxyglutaric acidME83028143C02630--
2-isopropylmalate2-Isopropylmalic acidME83025677C02504--
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME830290161227C00204--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME83028313120901---
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME83028210964471---
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME830277150929---
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME830220-C03761--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME830222-C03197,C01089--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME83021911966314C01188,C06001--
3-methyl-2-oxobutyrateKetoisovaleric acidME83026249C00141--
3-methylglutaconate3E-Methylglutaconic acidME8302861551553---
4-acetamidobutanoate4-Acetamidobutanoic acidME83024718189C02946--
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME83027388299C16366--
acesulfameAcesulfameME83029236573---
allantoinAllantoinME830243-C02348,C01551,C02350--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME83027199823---
alpha-ketobutyrate3-Methyl pyruvic acidME83023458C00109--
alpha-ketoglutaramate*2-Keto-glutaramic acidME83028448C00940--
alpha-ketoglutarate2-Oxoglutaric acidME83021851C00026--
arabinoseArabinoseME83023966308C00216--
arabitol/xylitolArabitolME830293-C00379,C00542,C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME830291-C00502,C05411--
ascorbic acid 3-sulfate*-ME83029711425365---
chiro-inositol1D-chiro-InositolME830280-C19891--
citraconate/glutaconateCitraconic acid/Glutaconic acidME830294-C02226,C02214--
citramalateCitramalic acidME8302631081C00815--
creatine phosphatePhosphocreatineME830252-C02305--
dimethylmalonic acidDimethylmalonic acidME83028811686---
erythritolErythritolME830261222285C00503--
erythronate*Erythronic acidME8302722781043---
ethylmalonateEthylmalonic acidME83025011756---
fructoseFructoseME8302402723872C00095--
galactonateGalactonic acidME830267-C00880,C15930--
gluconateGluconic acidME830223-C00257--
glucoseGlucoseME8302335793C00031--
glucuronateGlucuronic acidME830253-C16245--
glycerateGlyceric acidME830246-C00258--
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME830276167572---
gulonate*Gulonic acidME830275152304C00800--
inosineInosineME8302246021C00294--
isocitrateIsocitric acidME8302495318532C00451--
lactateLactic acidME830230612C00186--
lyxonateD-Lyxonic acidME830296----
malateMalic acidME830227525C00149,C00711,C00497--
maleateMaleic acidME830259444266C01384--
malonateMalonic acidME830236867C00383--
mannitol/sorbitolSorbitolME830278-C00392,C00794--
mannonate*Mannonic acidME8302873246006---
mannoseMannoseME830235-C00159,C02209,C00936--
methionineMethionineME8302286137C00073--
methionine sulfoxideMethionine sulfoxideME830251158980C02989--
methyl glucopyranoside (alpha + beta)Methyl glucoseME830289----
myo-inositolMyo-inositolME830225892C00137--
N-acetyl-2-aminoadipate-ME830300443992C12986--
N-acetylaspartate (NAA)N-Acetylaspartic acidME83026065065C01042--
N-acetylglutamateN-Acetylglutamic acidME83025470914C00624--
N-acetylglycineN-AcetylglycineME83026410972---
N-acetylneuraminateN-Acetylneuraminic acidME830248439197C00270--
N-acetylserineN-AcetylserineME83027965249---
N-acetylthreonineN-AcetylthreonineME830270152204---
orotateOrotic acidME830229967C00295--
orotidineOrotidineME83027492751---
pantothenatePantothenic acidME8302446613C00864--
pentose acid*Valeric acidME8302997991C00803--
phosphoethanolaminePhosphoethanolamineME8302451015C00346--
pseudouridinePseudouridineME83023715047C02067--
pyridoxate4-Pyridoxic acidME8302686723C00847--
pyruvatePyruvic acidME8302381060C00022--
quinateQuinic acidME8302576508C00296--
ribitolRibitolME8302556912C00379,C01904,C00474,C00532--
ribonateRibonic acidME8302655460677C01685--
riboseRiboseME8302415779C00121--
saccharopineSaccharopineME830226160556C00449--
salicylateSalicylic acidME830231338C00805--
succinateSuccinic acidME8302211110C00042--
sucroseSucroseME8302425988C00089--
taurineTaurineME8302321123C00245--
threonateThreonic acidME830266-C01620--


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