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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
L-AcetylcarnitineCAR 2:0ME5370601C025716.013-
Oxoglutaric acid2-Oxoglutaric acidME53711351C000269.885-
N-Acetylglutamic acidN-Acetylglutamic acidME537100185C006249.074-
AdenineAdenineME536999190C001474.039-
AllantoinAllantoinME537002204C015517.825-
BetaineBetaineME537006247C007195.966-
CholineCholineME537009305C0011411.438-
Citric acidCitric acidME537014311C0015811.435-
CoumarinCoumarinME537017323C058517.711-
1-Methylnicotinamide1-Methyl nicotinamideME536974457C0291813.199-
Hippuric acidHippuric acidME537052464C015862.897-
Aminoadipic acidAminoadipic acidME537003469C009569.292-
Malic acidMalic acidME537090525C0071110.185-
CreatineCreatineME537018586C003008.724-
CreatinineCreatinineME537019588C007914.275-
CytosineCytosineME537023597C003805.651-
DimethylglycineDimethylglycineME537030673C010266.81-
3-Phosphoglyceric acid3-Phosphoglyceric acidME536983724C0059710.93-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME537028729C006619.691-
GlycineGlycineME537045750C000379.307-
GlycerolGlycerolME537042753C001164.364-
GuanineGuanineME537047764C002427.551-
HistamineHistamineME537053774C0038812.835-
HypoxanthineHypoxanthineME537055790C002625.075-
Methionine sulfoxideMethionine sulfoxideME537091847-7.803-
Pipecolic acidPipecolic acidME537122849C004087.127-
Nicotinic acidNicotinic acidME537109938C002533.047-
Pantothenic acid_1Pantothenic acidME537116988C008643.171-
Pantothenic acid_2Pantothenic acidME537117988C008641.805-
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME5371211005C0007411.226-
Pyruvic acidPyruvic acidME5371271060C000222.905-
Quinolinic acidQuinolinic acidME5371281066C037229.643-
SarcosineSarcosineME5371321088C002138.208-
Succinic acidSuccinic acidME5371351110C000429.606-
TaurineTaurineME5371371123C002458.49-
ThiamineThiamineME5371401130C0037811.609-
ThymineThymineME5371411135C001782.911-
Trimethylamine N-oxideTrimethylamine N-oxideME5371451145C011045.328-
TrimethylamineTrimethylamineME5371441146C005658.606-
UracilUracilME5371471174C001063.316-
Uric acidUric acidME5371491175C003667.585-
UreaUreaME5371481176C000864.896-
XanthineXanthineME5371531188C003856.276-
2,4-Dihydroxybenzoic acid2,4-Dihydroxybenzoic acidME5369751491-1.55Reference-156
Phenyllactic acidPhenyllactic acidME5371203848C014791.675-
SerotoninSerotoninME5371335202C0078014.094-
TrigonellineTrigonellineME5371435570C010046.482-
CorticosteroneCorticosteroneME5370165753C021401.69-
D-GlucoseGlucoseME5370275793C000318.619-
4-Hydroxyprolinecis-4-HydroxyprolineME5369895810C011578.572-
L-AlanineAlanineME5370615950C000418.68-
L-SerineSerineME5370855951C000659.301-
Glucose 6-phosphateGlucose 6-phosphateME5370405958C0009210.706-
L-Aspartic acidAspartic acidME5370655960C000499.344-
L-GlutamineGlutamineME5370725961C000648.972-
L-LysineLysineME5370815962C0004713.466-
InosineInosineME5370576021C002946.256-
UridineUridineME5371506029C002994.749-
Uridine 5'-monophosphateUMPME5371516030C001059.591-
Adenosine monophosphateAMPME5370016083C000208.799-
L-LeucineLeucineME5370806106C001235.96-
L-MethionineMethionineME5370826137C000736.525-
L-PhenylalaninePhenylalanineME5370836140C000795.155-
CytidineCytidineME5370226175C004756.83-
N-Acetyl-L-methionineN-AcetylmethionineME5371036180C027122.871-
OrnithineOrnithineME5371126262C0007712.655-
L-AsparagineAsparagineME5370646267C001529.05-
L-HistidineHistidineME5370756274C001358.654-
L-ValineValineME5370896287C001837.157-
L-ThreonineThreonineME5370876288C001888.355-
L-TryptophanTryptophanME5370886305C000786.865-
L-IsoleucineIsoleucineME5370776306C004076.305-
L-ArginineArginineME5370626322C0006213.911-
Acrylic acidAcrylic acidME5369986581C005118.582-
Taurocholic acidTaurocholic acidME5371396675C051221.657-
GuanosineGuanosineME5370486802C003877.554-
Guanosine monophosphateGMPME5370496804C0014410.557-
6-Methylquinoline6-MethylquinolineME5369927059-6.87-
IsoquinolineIsoquinolineME5370598405C063232.883-
Inosinic acidIMPME5370588582C001309.883-
CitrullineCitrullineME5370159750C003279.508-
3-Furoic acid3-Furoic acidME53697910268-11.434-
AcetylglycineN-AcetylglycineME53699710972-4.153-
Myristic acidMyristic acidME53709511005C064241.334-
7-Methylguanine7-MethylguanineME53699311361C022424.591-
3-methylphenylacetic acid3-Methylphenylacetic acidME53698212121-1.728-
DeoxyuridineDeoxyuridineME53702613712C005263.319-
Pentadecanoic acidPentadecylic acidME53711813849C165371.327-
PseudouridinePseudouridineME53712615047C020676.891-
Argininosuccinic acidArgininosuccinic acidME53700516950C0340610.475-
D-MannoseMannoseME53703418950C001598.131-
L-Glutamic acidGlutamic acidME53707133032C000259.06-
AdenosineAdenosineME53700060961C002124.004-
XanthosineXanthosineME53715464959C017627.405-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME53710265065C010429.342-
L-CystineCystineME53706967678C004919.692-
PhenylacetylglycinePhenylacetylglycineME53711968144C055982.916-
Methylimidazoleacetic acidMethylimidazoleacetic acidME53709275810C058283.901-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME53696979034C083171.368-
Hydroxyisocaproic acidHydroxyisocaproic acidME53705483697-1.724-
N-Acetyl-L-alanineN-AcetylalanineME53710188064-3.698-
1-Methylhistidine1-MethylhistidineME53697392105C011527.276-
N6-Acetyl-L-lysineN6-AcetyllysineME53709992832C027277.58-
N4-AcetylcytidineN4-AcetylcytidineME537097107461-3.494-
L-Lactic acidLactic acidME537079107689C001863.467-
PropionylcarnitineCAR 3:0ME537125107738C030174.794-
GlutathioneGlutathioneME537041124886C000519.18-
L-ProlineProlineME537084145742C001487.323-
L-KynurenineKynurenineME537078161166C003286.185-
Symmetric dimethylarginineSymmetric dimethylarginineME537136169148-11.948-
BiotinBiotinME537007171548C001203.689-
N-Alpha-acetyllysineN(2)-AcetyllysineME537106192590C129898.847-
Deoxycholic AcidDeoxycholic acidME537025222528C044831.608-
S-AdenosylhomocysteineS-AdenosylhomocysteineME537130439155C000218.226-
Glycerol 3-phosphatesn-Glycero-3-phosphateME537043439162C000939.505-
Glucose 1-phosphateGlucose 1-phosphateME537039439165C0010310.356-
D-Ribose 5-phosphateRibose 5-phosphateME537036439167C001179.911-
GlucosamineGlucosamineME537038439213C003298.051-
CarnosineCarnosineME537008439224C003869.353-
N-AcetylornithineN-AcetylornithineME537105439232C004377.98-
Diaminopimelic acidDiaminopimelic acidME537029439283C0066610.946-
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME537024439391C010879.729-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME537098440120C0379312.245-
Arachidonic acidArachidonic acidME537004444899C002191.302-
N-Acetylneuraminic acidN-Acetylneuraminic acidME537104445063C199108.082-
Docosahexaenoic acidDocosahexaenoic acidME537035445580C064291.292-
Oleic acidOleic acidME537110445639C007121.307-
RiboflavinRiboflavinME537129493570C002553.78-
cis-Aconitic acidcis-Aconitic acidME537012643757C0041711.125-
Citraconic AcidCitraconic acidME537013643798C022262.916-
Urocanic acidUrocanic acidME537152736715C007856.69-
L-CarnitineCarnitineME5370672724480C003187.665-
Linoleic acidLinoleic acidME5370765280450C015951.311-
L-Threonic acidThreonic acidME5370865460407C0162010.343-
HexanoylcarnitineCAR 6:0ME5370516426853-3.016-
S-AdenosylmethionineS-AdenosylmethionineME53713116757548C000199.832-
(±)10(11)-EpDPA-ME536959--1.307Autoprocessed-8468
11,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acid-ME536968--1.318Reference-1453
11(E)-Eicosenoic Acidtrans-Gondoic acidME536966--1.297Autoprocessed-8505
11(Z),14(Z)-Eicosadienoic Acid11Z,14Z-Eicosadienoic acidME536967--1.298-
13-hydroxy-6-(1-hydroxyethyl)-12,14-dimethyl-3-met...-ME536970--1.786Autoprocessed-1412
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan...-ME536965--1.411Autoprocessed-2389
1,5-Anhydro-D-glucitol1,5-AnhydrosorbitolME536964--6.419-
15-Deoxy-Δ12,14-prostaglandin A1Dimethyl terephthalateME536971--1.338-
16-Hydroxyhexadecanoic acidJuniperic acidME536972--1.326-
2/3-hydroxybutyrate_1Hydroxybutyric acidME536977--2.931-
2/3-hydroxybutyrate_2Hydroxybutyric acidME536978--1.799-
2,6-Di-tert-butyl-1,4-benzoquinone-ME536976--1.317Reference-607
(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dih...-ME536961--1.399Autoprocessed-2971
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME536980--1.407-
3-Indoxyl sulphateIndoxyl sulfateME536981--2.902-
3-Pyridinol3-HydroxypyridineME536984--9.51-
3-Ureidopropionic acidUreidopropionic acidME536985--7.239-
4-{[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-de...-ME536986--1.341Autoprocessed-2841
4-Guanidinobutyric acid4-Guanidinobutanoic acidME536987--9.033-
4-Hydroxyindole4-HydroxyindoleME536988--2.936-
4-Oxoproline4-Oxo-prolineME536990--4.499-
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME536991--6.189-
8-HydroxyquinolineQuinolin-8-olME536994--6.869-
8Z,11Z,14Z-Eicosatrienoic acidDihomo-gamma-linolenic acidME536995--1.303-
(9cis)-Retinal9-cis-RetinalME536962--1.338-
(±)9-HpODE9S-HpODEME536960--1.453Autoprocessed-8563
9-Oxo-ODE9-OxoODEME536996--1.34-
(-)-Caryophyllene oxideCaryophyllene alpha-oxideME536958--1.35-
Ciprostene-ME537010--1.347Reference-4736
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME537011--1.304-
Crotonic acidCrotonic acidME537020--8.636-
CystathionineCystathionineME537021--10.227-
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME537031--3.646-
DL-StachydrineStachydrineME537032--5.313Reference-837
DL-α-Aminocaprylic acid-ME537033--3.665Reference-1794
Ethyl myristateEthyl tetradecanoateME537037--1.316-
Glycerophospho-N-palmitoyl ethanolamineGlycerophospho-N-palmitoyl ethanolamineME537044--1.698Reference-2955
Guanidinoethyl sulfonateTaurocyamineME537046--9.347-
Hexanoic acidCaproic acidME537050--2.995-
Indole-3-lactic acidIndole-3-lactic acidME537056--2.911-
L-Ascorbic acid 2-sulfate-ME537063--8.826Reference-1310
Lauric acidLauric acidME537066--1.355-
L-Cysteine-S-sulfateCysteine-S-sulfateME537068--10.018-
L-ErgothioneineErgothioneineME537070--8.658-
L-Glutathione oxidizedGlutathioneME537074--10.995-
L-Glutathione (reduced)GlutathioneME537073--11.752-
Metronidazole-OHMetronidazole-OHME537093--2.803-
?-Muricholic AcidMuricholic acidME536963--1.777-
Myo-inositolMyo-inositolME537094-C001379.986-
N2-Methylguanosine2-MethylguanosineME537096--1.632-
N-BenzylformamideN-benzylformamideME537107--7.71-
NicotinamideNiacinamideME537108--2.931-
Oleoyl-L-α-lysophosphatidic acid-ME537111--1.749Reference-1474
PalmitoylcarnitineCAR 16:0ME537115--1.731-
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME537114--1.619-
PLK-ME537123--12.099Autoprocessed-8286
ProlylleucinePro-LeuME537124--4.839-
Skatole3-MethylindoleME537134--6.87-
Taurochenodeoxycholic Acid (sodium salt)Taurochenodeoxycholic acidME537138--1.438Autoprocessed-8427
trans-10-Heptadecenoic Acid-ME537142--1.312Autoprocessed-8519
Trolox-ME537146--1.432Reference-2532
Υ-L-Glutamyl-L-glutamic acidGlu-GluME537155--10.716-


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