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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
11,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acid-ME536753--1.26Reference-1453
1,5-Anhydro-D-glucitol1,5-AnhydrosorbitolME536752--6.383-
16-Hydroxyhexadecanoic acidJuniperic acidME536755--1.264-
16(R)-HETE16R-HETEME5367549548884C147781.241-
1-Methylhistamine1-MethylhistamineME5367563614C0512710.808-
1-Methylhistidine1-MethylhistidineME53675792105C011527.391-
1-Methylnicotinamide1-Methyl nicotinamideME536758457C0291812.823-
1-Nitrosopiperidine (NPIP)-ME536759--12.548Reference-3370
(1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-o...-ME536751--4.425Autoprocessed-1750
2,4-Dihydroxybenzoic acid-ME5367601491-1.534Reference-156
2'-DeoxycytidineDeoxycytidineME536761--5.552-
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME53676299823-1.771-
2-Hydroxycinnamic acidtrans-o-Coumaric acidME536763637540C017727.642-
2-OxindoleIndolin-2-oneME536764--2.747Reference-616
2-Phenylglycine2-PhenylglycineME5367653866-11.275-
3,3-Dimethylglutaric acid-ME53676620984-1.624Reference-184
3-Coumaric acid-ME536767--3.472Reference-1402
3-Furoic acid3-Furoic acidME53676810268-11.133-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME53676986C006322.74-
3-Hydroxybutyric acid3-Hydroxybutyric acidME536770441C010893.244-
3-Indoxyl sulphateIndoxyl sulfateME536771--2.745-
3-methylphenylacetic acid3-Methylphenylacetic acidME53677212121-1.711-
3-Phosphoglyceric acid3-Phosphoglyceric acidME536773724C0059710.626-
3-Ureidopropionic acidUreidopropionic acidME536774--7.121-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME536775126C006337.654-
4-Hydroxybutyric acid (GHB)-ME536776--2.737Reference-1486
4-Hydroxyprolinecis-4-HydroxyprolineME5367775810C011578.5-
4-MethylphenolP-CresolME536778--3.034-
5,5-Dimethylhydantoin-ME536779--8.863Reference-2985
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME536780--6.113-
6-Methylquinoline6-MethylquinolineME5367817059-6.797-
7-Methylguanine7-MethylguanineME53678211361C022424.478-
8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME5367835280581C032421.234-
8-HydroxyquinolineQuinolin-8-olME536784--6.792-
Acrylic acidAcrylic acidME5367856581C005118.55-
AdenineAdenineME536786190C001473.861-
AdenosineAdenosineME53678760961C002123.857-
Adenosine monophosphateAMPME5367886083C000208.625-
Adrenic acidAdrenic acidME5367895497181C165271.227-
AllantoinAllantoinME536790204C015517.835-
Aminoadipic acidAminoadipic acidME536791469C009569.178-
Arachidonic acidArachidonic acidME536792444899C002191.246-
Argininosuccinic acidArgininosuccinic acidME53679316950C0340610.29-
Ascorbic acidVitamin CME53679454670067C000728.252-
BetaineBetaineME536795247C007195.863-
CarnosineCarnosineME536796439224C003869.231-
Cholic acidCholic acidME536797221493C006952.73-
CholineCholineME536798305C0011411.116-
cis-Aconitic acidcis-Aconitic acidME536799643757C0041710.834-
Citric acidCitric acidME536800311C0015811.132-
CitrullineCitrullineME5368019750C003279.421-
CoumarinCoumarinME536802323C058517.667-
CreatineCreatineME536803586C003008.648-
CreatinineCreatinineME536804588C007914.143-
Crotonic acidCrotonic acidME536805--10.831-
CystathionineCystathionineME536806--10.094-
CytidineCytidineME5368076175C004756.757-
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME536811439391C010879.511-
DeoxyuridineDeoxyuridineME53681213712C005263.197-
D-Erythro-sphingosine 1-phosphateSphingosine 1-phosphateME536813--2.78-
D-FructoseFructoseME536814439709C023367.33-
D-Glucose/D-Galactose-ME536815--8.507-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME536816729C006619.48-
Diaminopimelic acidDiaminopimelic acidME536817439283C006668.38-
DimethylglycineDimethylglycineME536818673C010266.728-
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME536819--3.711-
DL-StachydrineStachydrineME536820--5.19Reference-837
DL-α-Aminocaprylic acid-ME536821--3.448Reference-1794
D-(-)-MannitolMannitolME536808--7.914-
Docosahexaenoic AcidDocosahexaenoic acidME536822445580C064291.231-
Docosapentaenoic AcidDocosapentaenoic acidME536823--1.228-
Dodecanoic acidLauric acidME5368243893C026791.301-
D-(+)-Pipecolinic acidPipecolic acidME536810--13.344-
D-(-)-Quinic acidQuinic acidME536809--7.295-
D-Ribose 5-phosphateRibose 5-phosphateME536825439167C001179.416-
D-Saccharic acidGlucaric acidME536826--10.441-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME53682722833559C0028110.128-
D-SphingosineSphingosineME536828--1.46-
Eicosapentaenoic AcidEicosapentaenoic acidME536829446284C064281.246-
Ferulic acidtrans-Ferulic acidME536830--2.793-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME536831119C003348.945-
Gluconic acidGluconic acidME53683210690C002578.494-
GlucosamineGlucosamineME536833439213C003298.134-
Glucose 6-phosphateGlucose 6-phosphateME5368345958C0009210.48-
Glycerol 3-phosphatesn-Glycero-3-phosphateME536835439162C000939.314-
Glycerophospho-N-palmitoyl ethanolamineGlycerophospho-N-palmitoyl ethanolamineME536836--1.637Reference-2955
GlycineGlycineME536837750C000379.246-
Glycyl-L-leucineGly-LeuME536838--7.443-
Guanidineacetic acidGuanidoacetic acidME536839--9.361-
GuanineGuanineME536840764C002427.48-
GuanosineGuanosineME5368416802C003877.487-
Guanosine monophosphateGMPME5368426804C0014410.344-
GuvacolineGuvacolineME536843--2.949Reference-6135
HexanoylcarnitineCAR 6:0ME5368446426853-2.861-
Hippuric acidHippuric acidME536845464C015862.715-
HistamineHistamineME536846774C0038812.506-
HypotaurineHypotaurineME536847107812C005198.717-
HypoxanthineHypoxanthineME536848790C002624.978-
Indole-3-lactic acidIndole-3-lactic acidME536849--2.874-
Indole-3-pyruvic acidIndolepyruvateME536850--2.742-
Indoleacrylic acidIndoleacrylic acidME53685115030923-2.743-
InosineInosineME5368526021C002946.185-
Inosinic acidIMPME5368538582C001309.675-
IsoquinolineIsoquinolineME5368548405C063232.867-
Jasmonic acidJasmonic acidME5368555281166C084911.324-
L-AcetylcarnitineCAR 2:0ME5368561C025715.854-
L-AlanineAlanineME5368575950C000418.622-
L-AnserineAnserineME536858--8.262-
L-ArginineArginineME5368596322C0006213.806-
L-Ascorbic acid 2-sulfate-ME536860--8.627Reference-1310
L-AsparagineAsparagineME5368616267C001528.947-
L-Aspartic acidAspartic acidME5368625960C000499.226-
L-CarnitineCarnitineME5368632724480C003187.553-
L-Cysteine-S-sulfateCysteine-S-sulfateME536864--9.872-
L-CystineCystineME53686567678C004919.59-
L-ErgothioneineErgothioneineME536866--8.574-
L-Glutamic acidGlutamic acidME53686733032C000259.014-
L-GlutamineGlutamineME5368685961C000648.893-
L-Glutathione oxidizedGlutathioneME536870--10.723-
L-Glutathione (reduced)GlutathioneME536869--11.458-
L-Glyceric acidGlyceric acidME5368716326776-6.09-
L-HistidineHistidineME5368726274C001358.686-
Linoleic AcidLinoleic acidME5368735280450C015951.248-
L-IsoleucineIsoleucineME5368746306C004076.221-
L-KynurenineKynurenineME536875161166C003286.105-
L-Lactic acidLactic acidME536876107689C001863.552-
L-LeucineLeucineME5368776106C001235.874-
L-LysineLysineME5368785962C0004713.347-
L-MethionineMethionineME5368796137C000736.442-
L-PhenylalaninePhenylalanineME5368806140C000795.111-
L-ProlineProlineME536881145742C001487.242-
L-SerineSerineME5368825951C000659.24-
L-ThreonineThreonineME5368836288C001888.285-
L-TryptophanTryptophanME5368846305C000786.796-
L-TyrosineTyrosineME5368856057C000827.643-
L-ValineValineME5368866287C001837.064-
Malic acidMalic acidME536887525C007119.982-
Malonic acidMalonic acidME536888867C003839.218-
Methionine sulfoxideMethionine sulfoxideME536889847-7.703-
Methylimidazoleacetic acidMethylimidazoleacetic acidME53689175810C058283.892-
Methyl indole-3-acetateIndole-3-methyl acetateME536890--2.75-
Mevalonic acidMevalonic acidME536892449C004182.705-
Myo-inositolMyo-inositolME536893-C001379.951-
Myristic AcidMyristic acidME53689411005C064241.275-
N6-Acetyl-L-lysineN6-AcetyllysineME53689692832C027277.476-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME536895440120C0379312.046-
N-Acetyl-DL-tryptophanN-Acetyl-tryptophanME536897--2.742-
N-Acetylglutamic acidN-Acetylglutamic acidME536898185C006248.845-
N-Acetyl-L-alanineN-AcetylalanineME53689988064-3.03-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME53690065065C010429.153-
N-Acetyl-L-methionineN-AcetylmethionineME5369016180C027122.656-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME53690274839C035191.726-
N-Acetyl-L-tyrosineN-AcetyltyrosineME53690368310C016573.115-
N-Acetylneuraminic acidN-Acetylneuraminic acidME536904445063C199107.963-
N-AcetylornithineN-AcetylornithineME536905439232C004377.893-
N-BenzylformamideN-benzylformamideME536906--7.65-
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME536907123802C034108.828-
NicotinamideNiacinamideME536908--2.718-
Nicotinamide 1-oxide-ME536909--3.738Reference-912
N-IsovalerylglycineIsovalerylglycineME536910--1.767-
N-α-Acetyl-L-asparagineN-AcetylasparagineME536911--6.723-
OleamideOleamideME5369125283387C196701.448-
Oleic AcidOleic acidME536913445639C007121.239-
Oleoyl-L-α-lysophosphatidic acid-ME536914--1.658Reference-1474
OrnithineOrnithineME5369156262C0007712.538-
Orotic acidOrotic acidME536916967C002954.465-
OrotidineOrotidineME53691792751C011037.263-
Oxoglutaric acid2-Oxoglutaric acidME53691851C000269.653-
Palmitic AcidPalmitic acidME536919985C002491.254-
PalmitoylcarnitineCAR 16:0ME536921--1.639-
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME536920--1.409-
Pantothenic acidPantothenic acidME536922988C008643.167-
Pentadecanoic acidPentadecylic acidME53692313849C165371.266-
PhenylacetylglycinePhenylacetylglycineME53692468144C055982.677-
Phenyllactic acidPhenyllactic acidME5369253848C014791.749-
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME5369261005C0007410.925-
Pipecolic acidPipecolic acidME536927849C004087.033-
PropionylcarnitineCAR 3:0ME536928107738C030174.556-
PseudouridinePseudouridineME53692915047C020676.85-
Pyroglutamic acidPyroglutamic acidME5369307405C018794.614-
Pyruvic acidPyruvic acidME5369311060C000222.789-
Quinolinic acidQuinolinic acidME5369321066C037229.428-
S-AdenosylhomocysteineS-AdenosylhomocysteineME536933439155C000218.115-
S-AdenosylmethionineS-AdenosylmethionineME53693416757548C000199.626-
Skatole3-MethylindoleME536935--6.798-
Stearidonic AcidStearidonic acidME5369365312508C163001.254-
Succinic acidSuccinic acidME5369371110C000429.411-
SucroseSucroseME5369385988C000898.994-
Symmetric dimethylarginineSymmetric dimethylarginineME536939169148-11.758-
TaurineTaurineME5369401123C002458.487-
Tetradecanedioic acidTetradecanedioic acidME53694113185C110021.75-
ThiamineThiamineME5369421130C0037811.217-
ThymidineThymidineME5369435789C002142.768-
ThymineThymineME5369441135C001782.774-
trans-Cinnamic acidtrans-Cinnamic acidME536945444539C004235.09-
TrigonellineTrigonellineME5369465570C010046.388-
Trimethylamine N-oxideTrimethylamine N-oxideME5369471145C011045.217-
TropinePseudotropineME536948--2.738-
UracilUracilME5369491174C001063.215-
Uric acidUric acidME5369501175C003667.514-
UridineUridineME5369516029C002994.699-
Uridine 5'-monophosphateUMPME5369526030C001059.384-
XanthineXanthineME5369531188C003856.265-
XanthosineXanthosineME53695464959C017627.282-
β-D-Glucopyranuronic acidGlucuronic acidME536955--9.611-
δ-Ribono-1,4-lactone-ME536956--8.757Reference-371
Υ-L-Glutamyl-L-glutamic acidGlu-GluME536957--10.469-


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