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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-Benzisothiazol-3(2H)-one1,2-Benzisothiazol-3(2H)-oneME779768--28.48568598-
15-dimethylarsinoyl pentadecanoic acid-ME779642--15.66205713-
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-o...-ME779726-C151753.875084755-
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME779635-C0123412.75983342-
1-dimethylarsinoyl-heptadecane-ME779708--11.47716219-
1-dimethylarsinoyl-pentadecane-ME779718--13.5130607-
1-Hexylglycerol-ME779707--19.25453356-
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboli...-ME779927--8.573157019-
2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME779790-C063269.116885863-
2,3-diacetamido-2,3-dideoxy--D-mannuronate-ME779874--17.28407571-
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic ac...-ME779629--21.72524233-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...-ME779732--7.214331098-
2-amino-4-cyano-butanoic acid-ME779810-C057178.68788748-
2-Amino-4-methylenepentanedioic acid-ME779614-C0065113.42005901-
2-Amino-a-carboline-ME779663-C1918612.57437279-
2-carboxy-L-xylonolactone-ME779931--18.31981813-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME779804-C0469012.79115776-
2-hydroxysuccinamate-ME779997--14.90111666-
2-Keto-3-deoxy-6-phosphogluconic acid-ME779766-C04442_C0128616.94332018-
3,4,5-trihydroxy-6-[3-hydroxy-1-(7-methoxy-2-oxo-2...-ME779731--9.302676204-
3,6,8-Trimethylallantoin-ME779712-C1636216.56924265-
3-Amino-2-piperidone3-Amino-2-piperidoneME779837--11.1754001-
3-Amino-2-piperidone_13-Amino-2-piperidoneME779659--15.17862608-
3-Amino-2-piperidone_23-Amino-2-piperidoneME779682--9.890881583-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole-ME779762-C1110717.65135299-
3'-Deaminofusarochromanone-ME779786--3.354946603-
3-Hydroxyhexobarbital-ME779917-C030689.463651952-
3-Methyluridine3-MethyluridineME779904--14.82655003-
3-O-(2-O-(decenoyl)-alpha-L-rhamnopyranosyl)-3-hyd...-ME779693--4.177092984-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid4-(2-Aminophenyl)-2,4-dioxobutanoic acidME779680-C012529.592105397-
4-(3-Pyridyl)-3-butenoic acid-ME779662--10.14147003-
4-(Glutamylamino) butanoate4-(Glutamylamino) butanoateME779831-C1576713.45057728-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME779980-C0103514.54505834-
4-Hydroxy-4-(3-pyridyl)-butanoic acid-ME779694-C195799.589055261-
4-Imidazolone-5-acetate-ME779630-C0513312.98688603-
4-Imidazolone-5-propionic acid4-Imidazolone-5-propionic acidME779772-C036808.801060049-
4-Methylene-L-glutamine4-Methylene-glutamineME779843-C0110910.34549171-
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME779643-C1636612.67275064-
5-Aminopentanoic acid5-Aminopentanoic acidME779750-C0043114.82417376-
5-Hydroxypyrazinamide5-HydroxypyrazinamideME779818-C019568.253802614-
5-Methylcytosine5-MethylcytosineME779806-C023768.971984174-
5'-Phosphoribosyl-N-formylglycinamideFGARME779765-C0437617.86384434-
6-{[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-...-ME779679--12.57425494-
6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahyd...-ME779886-C06486_C1552210.72721841-
6-methylthiohexylhydroximoyl-L-cysteine-ME779789--4.155558166-
7-Formyldehydrothalicsimidine-ME779657--12.79008168-
8-Hydroxypurine-ME779625--19.3644965-
9-mercaptodethiobiotin-ME779990--8.326865364-
Acetylcarnosine-ME779759--14.12919832-
acinetobactin-ME779636--9.166988473-
actinocin-ME779791--11.00356721-
AdenosineAdenosineME779923-C00212_C071958.203133039-
adenosyl-1,8-diamino-3-thiooctane-ME779649--8.558226174-
Adrenochrome o-semiquinone-ME779992--12.57449765-
Agaritine-ME779687--4.179277082-
Ala/Ala/Asp/Pro-ME779764--16.93832235-
Ala/Ala/ProAla-Ala-ProME779944--14.30889178-
Ala/Ala/Pro_1Ala-Ala-ProME779721--15.98413957-
Ala/Ala/Pro_2Ala-Ala-ProME779940--15.34388645-
Ala/Asn/Pro/Pro-ME779894--10.97569324-
Ala/Asn/SerAla-Asn-SerME779808--16.05442137-
Ala/Asp/Ile/Ile/Met-ME779849--4.179672153-
Ala/Gly/ProAla-Gly-ProME779825--12.37703125-
Ala/Ile/Ile/Thr/Tyr-ME779863--4.191860199-
Ala/Leu/Met/Gln-ME779862--12.57256448-
Ala/Leu/Pro/His-ME779824--11.77405386-
Ala/Leu/Thr/Ala-ME779800--14.04943937-
Ala/Leu/Thr/Thr-ME779611--11.48651514-
Ala/Lys/Ala/Gln-ME779912--12.69098869-
Ala/Lys/Gln/Ser-ME779688--15.35217858-
Ala/Lys/Val/Ser-ME779773--17.61635196-
AlanineAlanineME779971-C00133_C0004114.31467987-
Alanyl-HistidineAla-HisME779675--25.06615895-
Alanyl-ProlineAla-ProME779993--11.08456557-
Alanyl-TyrosineAla-TyrME779723--7.55142063-
Ala/Phe/Pro/Pro/Val-ME779714--4.184329714-
Ala/Phe/Val/Ala-ME779848--13.1835092-
Ala/Thr/Pro/His-ME779856--15.22789137-
Ala/Trp/Asp/Gly-ME779631--13.01885096-
Albizziine-ME779617-C0826416.08484348-
aminocaproamide-ME779896--7.148222959-
Aminohydroquinone-ME779676-C146047.294179566-
ArecaidineArecaidineME779622-C1012814.22007863-
Asn/Glu/Glu/Gly-ME779742--15.46180288-
Asn/Gly/ProAsn-Gly-ProME779681--14.46360217-
Asparaginyl-AsparagineAsn-AsnME779816--16.42245638-
Asparaginyl-ProlineAsn-ProME779803--13.01844328-
Asp/Asp/Gly/Pro/Ser-ME779665--14.66250044-
Asp/His/Ser/Ser/Ser-ME779652--14.95908323-
Asp/Ile/Ile/Gln/Trp-ME779702--4.191762613-
Asp/Ile/Ile/Ile/Ile-ME779689--4.166674049-
Asp/Leu/Cys/Tyr-ME779646--9.985781037-
Asp/Leu/Lys/Pro-ME779835--12.87654958-
Asp/Leu/Pro/Pro-ME779914--10.98905618-
Asp/Met/Met/Pro-ME779608--18.57857669-
Asp/Phe/Ile/Pro/Pro-ME779698--7.752693759-
ATPA(S)-ATPAME779984-C137337.184280316-
b-aminoisobutyric acid-ME779879-C01205_C03284_C0514513.10527338-
BendiocarbBendiocarbME779783-C144337.991148668-
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME779934-C0534015.49070541-
beta-aspartyl-L-alanine-ME779802--16.23375029-
beta-aspartyl-L-leucine-ME779952--12.9218181-
Beta-Guanidinopropionic acid3-Guanidinopropanoic acidME779891-C0306514.72360247-
BetaineBetaineME779761-C0071910.5321725-
Biotin sulfoneBiotin sulfoneME779898-C203879.245582808-
Brassicanal B-ME779763--27.65528253-
C17 Sphinganine-1-phosphateC17 Sphinganine 1-phosphateME779654--3.5861762-
CaffeineCaffeineME779634-C074819.614271887-
Carglumic acidCarglumic acidME779775-C0582916.34405734-
CarnitineCarnitineME779737-C00318_C00487_C1502512.48916687-
cilazaprilat-ME779813--3.921566127-
CitrullineCitrullineME779999-C0032715.37424476-
Clitocine-ME779734--15.77290795-
Clobenzorex-ME779683--12.46322565-
CoformycinCoformycinME779892-C0167714.49844573-
CreatineCreatineME779939-C0030014.0837191-
CreatinineCreatinineME779946-C007919.097422048-
Cyclic GMP3',5' cyclic GMPME779650-C0094213.28567371-
Cyclo(deltaAla-L-Val)-ME779724-C118465.201459267-
cyclo(glycyl-L-prolyl)-ME779709--7.62537764-
cyclo(L-glutamyl-glycyl)-ME779644--13.15230878-
Cys/Cys/Gly/Pro/Pro-ME779684--14.85434133-
Cys/Gly/His/Pro/Arg-ME779713--7.257140916-
Cys/Gly/Pro/Arg/Arg-ME779699--4.211889033-
Cysteine-S-sulfateCysteine-S-sulfateME779771-C0582417.87050113-
Cysteinyl-Hydroxyproline-ME779872--9.938173133-
Deoxyguanidinoproclavaminic acidDeoxyamidinoproclavaminic acidME779779-C0665614.01837839-
destruxin B-ME779838--4.119193692-
DethiobiotinDethiobiotinME780009-C019098.571230263-
Dethiobiotin_1DethiobiotinME779935-C019094.418477655-
DIBOA-ME779840--14.41863572-
Dihydroclavaminic acidDihydroclavaminic acidME779901-C066599.105072483-
Dihydroclavaminic acid_1Dihydroclavaminic acidME779639-C0665914.63322763-
DihydrothymineDihydrothymineME779936-C0090614.17087097-
Diphthamide-ME779805--12.92568716-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME779672--12.43748232-
DL--hydroxynorvaline-ME779637--13.50707576-
Epsilon-caprolactamEpsilon-caprolactamME779710-C065934.916605297-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME779948--16.29916637-
FasoracetamFasoracetamME779753-C133114.417953347-
Furanopetasitin-ME779632--16.83217138-
FurazolidoneFurazolidoneME779739-C0799912.58332822-
gamma-Glutamylalaninegamma-GlutamylalanineME779890-C03740_C0373814.91506216-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME779730-C0611411.30386546-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME779988-C1570011.32299306-
gamma-Glutamylleucinegamma-GlutamylleucineME779751--10.0519716-
Gamma-glutamyl-L-putrescinegamma-GlutamylputrescineME779960-C1569915.485149-
Gamma glutamyl ornithinegamma-GlutamylornithineME779770--17.35222805-
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME779839--13.79578883-
gamma-L-Glutamyl-L-methionine sulfoxide-ME779870--14.1043837-
gamma-L-Glutamyl-L-pipecolic acid-ME779719--8.552157442-
Glu/Ala/PheGlu-Ala-PheME779674--9.20791545-
Glu/Ala/ThrGlu-Ala-ThrME779645--16.37188092-
Glu/Arg/PheGlu-Arg-PheME779817--12.44670003-
Glu/Arg/ProGlu-Arg-ProME779882--14.69834259-
Glu/Arg/TyrGlu-Arg-TyrME779661--14.71649308-
Glu/Glu/IleGlu-Glu-IleME779785--14.38036519-
Glu/Glu/ProGlu-Glu-ProME779660--16.73839801-
Glu/His/His/Pro/Arg-ME779623--15.98519988-
Glu/Ile/ProGlu-Ile-ProME779953--11.11556797-
Glu/Ile/SerGlu-Ile-SerME779820--12.25080792-
Glu/Ile/TyrGlu-Ile-TyrME779704--9.320098609-
Glu/Ile/ValGlu-Ile-ValME779920--8.930950546-
Glu/Leu/ThrGlu-Leu-ThrME779794--9.725175617-
Glu/Met/TyrGlu-Met-TyrME779720--9.292006616-
Glu/Phe/ProGlu-Phe-ProME779677--9.363333786-
Glu/Phe/ThrGlu-Phe-ThrME779875--9.481280156-
Glu/Pro/TyrGlu-Pro-TyrME779829--13.93534921-
Glu/Pro/ValGlu-Pro-ValME779747--12.51412236-
Glutamate methylester-ME779821-C050169.293766276-
Glutamic acidGlutamic acidME780006-C00025_C00302_C0021714.5450064-
GlutaminylprolineGln-ProME779778--15.3316754-
GlutamylarginineGlu-ArgME779975--16.28769686-
GlutamylmethionineGlu-MetME779850--12.37714462-
GlutamylprolineGlu-ProME780003--14.91103131-
GlutamylthreonineGlu-ThrME779922--14.86651795-
Glu/Thr/TyrGlu-Thr-TyrME779796--13.64310986-
Glycerol 3-phosphatesn-Glycero-3-phosphateME779812-C00093_C0062314.81050608-
Glycerophosphocholinesn-Glycero-3-phosphocholineME779956-C0067013.57004775-
Glycyl-ArginineGly-ArgME779885--16.42316297-
GlycylleucineGly-LeuME779942-C021558.939638215-
GlycylprolineGly-ProME779978--12.37175632-
GlycyltyrosineGly-TyrME779784--11.96660142-
Glycyl-ValineGly-ValME779873--10.34375602-
Gly/Lys/Arg/Arg/Val-ME779692--7.683905367-
Gly/Pro/ArgGly-Pro-ArgME779832--14.81624706-
guadinomic acid-ME779618--13.66395756-
HarmanHarmanME779972-C092095.185808696-
Heptaethylene glycolHeptaethylene glycolME779735--4.162311403-
hexenedioylcarnitine-ME779620--22.07948651-
Hexobarbital-ME779857-C117234.470473152-
His/Leu/Gly/Ser-ME779855--15.41153978-
His/Leu/Lys/Pro-ME779801--11.77607585-
His/Lys/Lys/Pro/Val-ME779748--3.906170739-
HistidineHistidineME779998-C06419_C0013513.96787405-
Histidinyl-LeucineHis-LeuME779981-C050107.801521673-
HomocarnosineHomocarnosineME779696-C0088423.60172442-
HomocitrullineHomocitrullineME779658-C0242714.53074399-
Hydrogen phosphatePhosphoric acidME779899-C0000916.13736453-
hydroxy-N-acetyl-(L)-arginine-ME779787--17.37528944-
hydroxy-N-acetyl-(L)-arginine_1-ME779609--22.10290839-
Hydroxyprolyl-Methionine-ME779994--11.00927973-
Hypoglycin A-ME779641-C0828713.19877887-
Hypoglycin B-ME779814-C0828012.48442495-
Ile/Ala/IleIle-Ala-IleME779938--7.148058015-
Ile/Ala/LysIle-Ala-LysME779925--10.84987609-
Ile/Arg/GlyIle-Arg-GlyME779880--11.86091918-
Ile/Arg/HisIle-Arg-HisME779858--11.49644093-
Ile/Arg/ProIle-Arg-ProME779926--8.764556282-
Ile/Arg/ThrIle-Arg-ThrME779913--11.62850074-
Ile/Gly/LysIle-Gly-LysME779846--12.57545732-
Ile/Gly/ThrIle-Gly-ThrME779690--12.81305549-
Ile/Gly/ValIle-Gly-ValME779859--7.183334665-
Ile/His/LysIle-His-LysME779902--12.19465233-
Ile/Ile/Ile/Ile/Ser-ME779865--4.191165899-
Ile/Ile/Ile/Ile/Thr-ME779877--4.183536514-
Ile/Ile/Ile/Pro/Pro-ME779777--3.696768642-
Ile/Ile/Lys/Ser/Val-ME779782--8.240218952-
Ile/Ile/PheIle-Ile-PheME779867--3.484724349-
Ile/Ile/ProIle-Ile-ProME779985--7.158271602-
Ile/Ile/Pro/Pro-ME779973--7.159163596-
Ile/Ile/ValIle-Ile-ValME779962--3.83645921-
Ile/Lys/Gln/Pro-ME779822--10.78009716-
Ile/Lys/Lys/Gln/Tyr-ME779888--3.746537501-
Ile/Lys/Lys/Thr/Tyr-ME779911--4.094647262-
Ile/Lys/ProIle-Lys-ProME779924--9.477798442-
Ile/Lys/Pro/Pro-ME779842--10.92123028-
Ile/Lys/SerIle-Lys-SerME779852--12.64633598-
Ile/Lys/ValIle-Lys-ValME779950--9.526175676-
Ile/Met/Pro/Ser-ME779733--7.590911072-
Ile/Met/SerIle-Met-SerME779957--7.18326415-
Ile/Pro/Pro/Pro-ME779669--9.349660371-
Ile/Pro/ThrIle-Pro-ThrME779815--7.367100672-
Ile/Pro/ValIle-Pro-ValME779983--7.172735746-
Ile/Ser/ValIle-Ser-ValME779977--7.178679282-
Ile/Tyr/ValIle-Tyr-ValME779921--4.119741008-
Ile/Val/Pro/Tyr-ME779909--7.250245074-
Imidazoleacetic acid ribosideImidazoleacetic acid ribosideME779916-C0513113.74865921-
IndoleIndoleME779701-C004639.401338261-
indole-3-acetyl-isoleucine-ME779941--4.187699885-
indole-3-acetyl-valine-ME779929--4.176297691-
IsoleucineIsoleucineME780007-C06418_C0040710.50925503-
Isoleucyl-AlanineIle-AlaME779979--7.183121246-
Isoleucyl-ArginineIle-ArgME779986--12.37303185-
Isoleucyl-LysineIle-LysME779974--12.49501612-
Isoleucyl-PhenylalanineIle-PheME779943--7.047756128-
IsoleucylprolineIle-ProME780010--7.423202056-
Isoleucyl-SerineIle-SerME779987--8.01179887-
Isoleucyl-ValineIle-ValME780004--7.175208825-
KyotorphinTyr-ArgME779945-C0299314.77463126-
Kyotorphin_1Tyr-ArgME779807-C0299316.27366257-
LeucineLeucineME780012-C01570_C00123_C1643910.02045181-
Leucyl-LeucineLeu-LeuME779989-C113327.083685455-
Leucyl-leucyl-norleucine-ME779792-C113283.625876755-
Leucyl-LysineLeu-LysME779964--11.65264067-
Leu/Gly/ArgLeu-Gly-ArgME779828--12.51854144-
Leu/Gly/ProLeu-Gly-ProME779961-C018337.469280829-
Leu/Val/TyrLeu-Val-TyrME779907--7.15529213-
Linoleic acidLinoleic acidME779795-C015953.255038922-
Lithocholate 3-O-glucuronide-ME779685-C030334.179869618-
L,L-Cyclo(leucylprolyl)-ME779738--18.68494959-
Lys/Ala/ProLys-Ala-ProME779819--14.60884482-
LysineLysineME779995-C00739_C0004721.71682827-
Lys/Lys/HisLys-Lys-HisME779767--21.8032084-
Lys/Phe/CysLys-Phe-CysME779667--15.71890909-
Lys/Phe/Cys_1Lys-Phe-CysME779655--14.62583808-
Lys/Pro/ProLys-Pro-ProME779854--15.04136609-
Lys/Val/Pro/Tyr-ME779830--10.86655846-
Lysyl-GlycineLys-GlyME779869--16.47003844-
Lysyl-Glycine_1Lys-GlyME779826--16.11798528-
Lysyl-LysineLys-LysME779871--20.6908237-
Lysyl-MethionineLys-MetME779836--12.98997906-
Lysyl-PhenylalanineLys-PheME779928--10.83621603-
Lysyl-Phenylalanine_1Lys-PheME779883--12.19824759-
Lysyl-ProlineLys-ProME779982--14.40719011-
Lysyl-SerineLys-SerME779918--15.96261951-
Lysyl-ThreonineLys-ThrME779910--15.53059967-
Lysyl-Threonine_1Lys-ThrME779884--15.13372188-
Lysyl-TyrosineLys-TyrME779915--14.87282584-
Lysyl-Tyrosine_1Lys-TyrME779774--16.41819034-
Lysyl-ValineLys-ValME779969--13.50710609-
Lysyl-Valine_1Lys-ValME779954--12.81066257-
MaculosinCyclo(Pro-Tyr)ME779949-C106057.125867817-
Majusculoic acidMajusculoic acidME779668--9.371604739-
MetharbitalMetharbitalME779741--21.3625617-
MethionineMethionineME780005-C01733_C00855_C0007310.85552308-
Methionine sulfoxideMethionine sulfoxideME780000-C0298912.75208735-
Methionyl-AlanineMet-AlaME779937--7.866255047-
Methionyl-SerineMet-SerME779965--10.62959018-
Methionyl-Serine_1Met-SerME779725--9.307432001-
Methionyl-ThreonineMet-ThrME779743--7.946735964-
Methionyl-ValineMet-ValME779959--7.17541108-
Methionyl-Valine_1Met-ValME779647--11.57010545-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME779619-C0122310.89787372-
MethylcysteineMethylcysteineME779653--7.963412372-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME779776-C058279.010227408-
Methylimidazoleacetic acidMethylimidazoleacetic acidME779754-C0582812.32510067-
Met/Phe/ValMet-Phe-ValME779656--3.876082216-
N1-(2-Hydroxyethyl)flurazepam-ME779628--12.18300616-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME779624-C0413716.34683676-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME779781-C0528315.1516036-
N2-Succinyl-L-ornithineN2-SuccinylornithineME779897-C0341515.13044719-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME779889--10.82692524-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate_1-ME779612--15.66782915-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate_2-ME779841--12.37927969-
N-(3-hydroxy-3-methylhexanoyl)-L-glutamine-ME779697--4.209329744-
N-[-3-methylhex-2-enoyl]-L-glutamine-ME779881--4.18492346-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME779847--10.93032523-
N5-acetyl-N5-hydroxy-L-ornithine_12,6-Diaminopimelic acidME779706--21.72101193-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME779958-C039559.36346633-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME779996-C012554.136036791-
N6,N6 dimethyllysineN(6),N(6)-Dimethyl-lysineME779607-C05545 _C0554520.22946816-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME779613-C0379320.61410751-
N-a-Acetyl-L-arginineN-AcetylarginineME779633--14.03897498-
N-Acetyl-D-glucosamineN-AcetylglucosamineME779651-C0014011.17769945-
N-acetyl-L-glutaminyl-L-glutamine amide-ME779752--14.5370305-
N-acetyl-tabtoxinine-lactam-ME779717--11.1009147-
N-acetyl-tabtoxinine--lactam-ME779740--9.569937629-
N-acetyl-tabtoxinine-lactam_1-ME779711--15.2977052-
N-Alpha-acetyllysineN(2)-AcetyllysineME779664-C12989 _C1298914.20196947-
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME779610-C0314015.18963633-
N-Benzoyl-D-arginineN-Benzoyl-D-arginineME779705-C030018.841205389-
NequinateNequinateME779932--8.214397454-
Neurotensin 11-13-ME779864--3.896689027-
N-hydroxyisoleucineN-hydroxyisoleucineME779722--11.48738954-
N-hydroxyisoleucine_1N-hydroxyisoleucineME779700--12.63762722-
N-hydroxy-tetrahomomethionine-ME779727--8.35371767-
N-hydroxytrihomomethionine-ME779606--16.42307484-
Nicotinic acidNicotinic acidME779951-C002537.613199094-
N-lactoyl-Tryptophan-ME779933--7.176734439-
N-lactoyl-Tryptophan_1-ME779666--8.56044617-
N-lactoyl-Tryptophan_2-ME779900--4.184724448-
N-Malonyltryptophan-ME779729-C034148.198069288-
N-MethylnicotinamideN-MethylnicotinamideME779638--8.826647191-
N-NonanoylglycineN-NonanoylglycineME779799--4.000184042-
N-Succinyl-L-glutamateN2-SuccinylglutamateME779798-C0593116.1885115-
N-UndecanoylglycineN-UndecanoylglycineME779866--3.930062795-
Octaethylene glycolOctaethylene glycolME779745--3.389945931-
OleamideOleamideME779673-C196703.425891467-
oxindole-3-acetyl-valine-ME779844--4.1815546-
PantetheinePantetheineME779728-C008314.419942012-
Pantothenic acidPantothenic acidME779887-C008648.292904902-
pentaethylene glycolPentaethylene glycolME779703--4.204589057-
PentostatinPentostatinME779756-C0226715.53539211-
Phe/Gly/Lys/Lys/Pro-ME779861--4.179174775-
Phe/His/Ile/Arg/Trp-ME779695--4.189978067-
PhenylalaninePhenylalanineME780011-C02265_C000799.395304125-
Phenylalanyl-ArgininePhe-ArgME779908--12.09412264-
Phenylalanyl-GlycinePhe-GlyME779788--8.416408378-
Phenylalanyl-TyrosinePhe-TyrME779947--7.178085086-
Phenylalanyl-ValinePhe-ValME779627--10.49976644-
phenyl sulfoxide-ME779716--13.24291158-
phenyl sulfoxide_1-ME779615--16.9290435-
Phe/Pro/ProPhe-Pro-ProME779749--7.239940473-
Phe/Pro/Pro/Val/Val-ME779834--3.739149778-
phomamide-ME779809--3.817168425-
PhosphorylcholineCholine phosphateME779715-C0058814.76337662-
PI(20:1)PI 20:1ME779678--4.082103848-
Pipecolic acidPipecolic acidME779736-C0040811.64079085-
Procaterol-ME779845--4.01170065-
Proclavaminic acidProclavaminic acidME779955-C0665812.64391016-
ProlineProlineME780013-C00148_C0076312.10212707-
Proline betaineProline betaineME779691-C1017210.71890723-
Prolyl-ArgininePro-ArgME779967--14.55048136-
prolyl-L-proline-ME779905--11.44500693-
Pro/Pro/ProPro-Pro-ProME779851--13.58595479-
Pro/Val/Pro/Pro-ME779827--11.05353653-
Pro/Val/Val/Ser-ME779746--9.438702373-
PyridoxaminePyridoxamineME779621-C0053421.20403459-
Pyroglutamic acidPyroglutamic acidME780008-C02237_C0187910.10882026-
Pyrroline hydroxycarboxylic acidPyrroline hydroxycarboxylic acidME779760-C042819.763492863-
Pyrrolysine-ME779793-C1613812.92472889-
quinonoid dihydro-(6H)-biopterin-ME779833--9.174317658-
SerineSerineME779976-C00716_C00740_C0006515.46946291-
SerylarginineSer-ArgME779906--16.48069381-
Serylarginine_1Ser-ArgME779903--16.00442288-
Simmondsin-ME779648--9.06874747-
SolanocapsineSolanocapsineME779758-C108217.126768491-
SubaphyllineSubaphyllineME779970-C104977.163919295-
SucroseSucroseME779930-C0008914.93947594-
Talbutal-ME779671--14.8555282-
TemurinTemurinME779878--10.42296645-
TheanineN(5)-Ethyl-glutamineME779968-C0104712.73645857-
Thr/Ala/ProThr-Ala-ProME779744--14.43130487-
ThreonineThreonineME779991-C05519_C00820_C12317_C0018814.02947481-
Threoninyl-Arginine-ME779963--15.50017748-
Threoninyl-Tyrosine-ME779823--8.979295336-
threo-tetruronate-ME780001--16.27993804-
Thr/Thr/AlaThr-Thr-AlaME779616--15.54525023-
ThymineThymineME779670-C0017811.46143196-
TryptophanTryptophanME779895-C00806_C00078_C0052511.07356296-
Tryptophyl-Serine-ME779769--8.50585491-
Tyrosyl-TyrosineTyr-TyrME779853--8.17272884-
UracilUracilME779893-C001068.145628642-
Ureidoisobutyric acidUreidoisobutyric acidME779780-C0510012.76000328-
Urocanic acidUrocanic acidME779755-C0078510.77359045-
ValclavamValclavamME779686-C066687.44527611-
Val/Gly/ArgVal-Gly-ArgME779797--13.14525561-
Val/Gly/ProVal-Gly-ProME779860--9.028348883-
Val/Gly/Pro_1Val-Gly-ProME779811--12.62249167-
Val/Gly/TyrVal-Gly-TyrME779626--12.18618604-
ValineValineME780002-C16436_C00183_C0641711.70198202-
Val/Pro/ArgVal-Pro-ArgME779966--9.607975831-
Val/Pro/Arg_1Val-Pro-ArgME779868--10.83836646-
Val/Val/ArgVal-Val-ArgME779919--9.696399234-
Valyl-ArginineVal-ArgME779757--12.8177284-
Valyl-GlycineVal-GlyME779876--9.04036098-
ZAPAZAPAME779640-C1369513.29168812-


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-carboxymalonamate-ME780020--16.63135954-
2,3-dihydroxybenzohydroxamoyl adenylate-ME780019--20.97170679-
2,4-didehydro-3-deoxy-L-rhamnonate-ME780102--14.87334549-
2-(4-sulfophenyl)decane-ME780035--27.34047053-
2,5-pyridinedicarboxylate-ME780053--15.77512961-
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)on...-ME780017--20.98051222-
2-acetamidoglucal-ME780052--8.546945206-
2-C-Methyl-D-erythritol 4-phosphate-ME780165-C1143414.26991253-
2-dehydro-3-deoxy-D-fuconate-ME780158--15.76712854-
2-deoxy-3-dehydro-D-ribonate-ME780105--14.97231967-
2-hydroxy-4-oxobutanoate-ME780167--15.294182-
2-hydroxy-5-oxoproline-ME780144--10.68267874-
2-hydroxy-5-oxoproline_1-ME780113--8.631630685-
2-hydroxyhexa-2,5-dienoate-ME780059--8.783257129-
2-Methyl-4-propyl-1,3-oxathiane2-Methyl-4-propyl-1,3-oxathianeME780048--27.48130895-
(2S,4S)-Monatin-ME780157--8.194769311-
(2S,4S)-Monatin_1-ME780149--9.355587247-
3'-AMP3'-AMPME780057-C0136715.29866343-
3-Ethylmalate-ME780085-C0198910.12172848-
3-formyl-4-hydroxybenzoate-ME780045--12.31434012-
3-hydroxy-4-methyl-benzoate-ME780131--7.144174706-
3-hydroxy-4-methylnonanoate-ME780071--3.649810154-
3-Hydroxyhexobarbital-ME780159-C030687.188042151-
3-Hydroxyhexobarbital_1-ME780096-C030684.186759828-
3-Oxo-carbofuran-ME780108--4.043337512-
3-oxo-isoapionate-ME780015--13.30789924-
3-Oxooctadecanoic acid-ME780063--3.307174386-
4-ethylheptanoate-ME780162--3.609897355-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME780168-C006337.174830106-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME780109-C0015610.71914156-
5-amino-2,4,5-trioxopentanoate-ME780023--18.30688209-
5-hydroxymethylcytosine-ME780070--14.30701921-
5-Hydroxypentanoic acid5-Hydroxyvaleric acidME780152-C028047.156317083-
)-5-[(tert-butylamino)-2'-hydroxypropoxy]-1,2,3,4-...-ME780034--27.30141463-
6-aminonicotinate-ME780155--10.79281609-
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME780044-C0123615.76278784-
8-Oxodeoxycoformycin8-OxodeoxycoformycinME780097-C0295711.06184025-
9,10-dibromo-stearic acid9,10-Dibromo-stearic acidME780110--16.01888116-
Adrenochrome o-semiquinone-ME780107--9.537239696-
Ala/Ala/Ile/Arg/Arg-ME780104--4.170431514-
Ala/Cys/Phe/His/Ile-ME780098--15.56166503-
Ala/Ile/Ile/Pro/Pro-ME780128--4.145665135-
Alanyl-SerineAla-SerME780077--13.18032117-
Ala/Thr/Thr/Ala-ME780056--15.64356185-
Ala/Val/Asp/Ser-ME780068--16.61428017-
Ala/Val/Ser/Ser-ME780030--16.29070803-
AMAA-ME780027-C1373915.27223221-
amicoumacin A-ME780139--9.333628491-
a phenothiazine-ME780119--12.15794882-
arabinonateArabinonic acidME780100-C0054513.70957168-
Arg/Leu/Thr/Ser-ME780083--11.50281094-
Ascorbalamic acid-ME780066--14.59944209-
Ascorbalamic acid_1-ME780032--15.31019442-
Aspartyl-L-prolineAsp-ProME780073--15.31314606-
Asp/Glu/Glu/Thr-ME780031--18.5743509-
Asp/Leu/Asp/Ser-ME780092--9.367993898-
Bis-D-fructose 2',1:2,1'-dianhydrideBis-D-fructose 2',1:2,1'-dianhydrideME780065-C0433312.19131623-
Butyric acidButyric acidME780111-C002467.265472756-
Capric acidCapric acidME780093-C015713.618436882-
CHAPSCHAPSME780080-C113217.649659649-
Cis-zeatin-7-N-glucoside-ME780058--14.13888785-
coelenterazine v-ME780166--15.45344098-
Cys/Cys/His/Lys/Pro-ME780072--8.148897372-
Cys/Cys/Phe/Met/Gln-ME780046--16.94075711-
Cys/His/Arg/Ser/Ser-ME780024--21.71942764-
Cys/Phe/Gly/His/Ile-ME780122--15.85728035-
Cys/Phe/His/Pro/Pro-ME780055--15.3589034-
Dehydrorotenone-ME780026--20.97282749-
Dibenzo[a,l]pyrene-ME780061-C191748.013329047-
DihydrothymineDihydrothymineME780041-C009069.13101112-
Dodecanoic acidLauric acidME780124-C026793.380501939-
dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-...-ME780112-C1231814.52246327-
erythronateErythronic acidME780156--12.62693519-
Ethylmethylacetic acid-ME780147-C183194.738449207-
FA (19:1)Nonadecenoic acidME780132--3.247153789-
FA methyl(12:0) dodecanoic acidLauric acidME780037--27.30769409-
FA methyl(16:1)-ME780101--3.307018572-
FloxuridineFloxuridineME780016-C1173617.27959209-
Flurbiprofen-ME780090--13.74675013-
FructoseFructoseME780137-C0009512.96473307-
furaneol glucopyranoside-ME780094--9.309651051-
gamma-Glutamylvalinegamma-GlutamylvalineME780161--12.22712865-
Garcinia acidGarcinia acidME780039--16.06046955-
Gentisate aldehydeGentisate aldehydeME780126-C055857.078901337-
Gingerdiol 4'-O-beta-D-glucopyranoside-ME780125--4.176300656-
glorin-ME780138--4.184129608-
Glu/Ala/ThrGlu-Ala-ThrME780091--16.83648922-
Glu/Arg/GluGlu-Arg-GluME780022--16.8112781-
Gluconic acidGluconic acidME780127-C00880_C00800_C00770_C15930_C00514_C0025714.54014902-
Glu/Glu/Gln/Phe-ME780038--11.33239452-
Glu/Glu/Glu/Glu-ME780042--19.55977665-
Glu/Pro/TyrGlu-Pro-TyrME780130--10.06628411-
Glu/Ser/ValGlu-Ser-ValME780134--12.79471189-
GlutamylalanineGlu-AlaME780050--16.43642677-
GlutamyllysineGlu-LysME780029-C0470017.4645648-
Glu/Thr/Ala/Asp-ME780014--16.5937249-
GlycerolGlycerolME780135-C001169.954186404-
Hydroxypyruvic acidHydroxypyruvic acidME780078-C0016816.02737712-
Ile/Arg/Thr/Thr/Val-ME780116--9.140979921-
Ile/Cys/SerIle-Cys-SerME780103--9.383651633-
Ile/Glu/Glu/Glu-ME780028--16.13116153-
Ile/Ile/Asn/Pro/Pro-ME780089--4.175072488-
Ile/Ile/Ile/Ile/Pro-ME780067--12.15296864-
Ile/Ile/Ile/Ile/Ser-ME780054--15.45912814-
Ile/Lys/ThrIle-Lys-ThrME780129--11.48561011-
Isoleucyl-TyrosineIle-TyrME780170--7.178481584-
Isovaleric acidIsovaleric acidME780169-C082627.170950925-
Leu/Thr/ArgLeu-Thr-ArgME780082--10.30543894-
Lys/Lys/ValLys-Lys-ValME780051--19.20070069-
Lys/Val/SerLys-Val-SerME780141--13.51315119-
Maltoundecaose-ME780018--18.09023786-
Mesylate-ME780123-C1114510.21969083-
methyl diphosphate-ME780115--13.97329537-
myo-InositolMyo-inositolME780043-C00137_C06152_C0615316.9523831-
Myristic acidMyristic acidME780154-C064243.310951224-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME780088-C058427.133860923-
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME780086-C0035714.42742212-
N-Acetylglutamic acidN-Acetylglutamic acidME780118-C0062414.12470945-
Neryl rhamnosyl-glucoside-ME780079--12.52338409-
N-Formimino-L-aspartateN-Formimidoyl-aspartic acidME780084-C0340914.43383812-
N-Formimino-L-aspartate_1N-Formimidoyl-aspartic acidME780075-C0340912.94259649-
N-Formyl-L-aspartateN-Formyl-aspartic acidME780064-C0104415.66390466-
N-hydroxy-L-leucine-ME780069--11.49292862-
N-hydroxy-L-pipecolate-ME780095--7.307221839-
nicotine blue leuco form-ME780021--20.97020834-
O-AcetylserineO-AcetylserineME780143-C0097910.4361193-
Oleic acidOleic acidME780148-C00712_C017123.242151834-
Orotic acidOrotic acidME780151-C0029510.44319404-
Oxalic acidOxalic acidME780087-C0020918.22753248-
OxalureateOxaluric acidME780074-C0080210.5969662-
Palmitic acidPalmitic acidME780163-C002493.276026827-
Palmitoleic acidPalmitoleic acidME780120-C083623.298782108-
Paracetamol sulfateParacetamol sulfateME780025--13.62063341-
para-hydroxyrosiglitazone-ME780060--14.9103943-
PG(12:0/13:0)PG 12:0/13:0*ME780062--3.438350739-
PhosphophosphinatePhosphophosphinateME780117-C1202216.2623629-
PhytuberinPhytuberinME780133-C097093.366659005-
polyprenylpyrophosphate-ME780146--4.583029581-
Polysorbate 20-ME780140-C116244.102211194-
Proacacipetalin-ME780076-C083388.061538037-
Pyrimidine nucleosidePyrimidine nucleosideME780136-C031697.465794919-
Pyruvic acidPyruvic acidME780164-C000228.382669539-
(R) 2,3-Dihydroxy-3-methylvalerate-ME780114-C06007_C041047.323965132-
RhamnoseRhamnoseME780099-C0050710.88777302-
RiboseRiboseME780142-C0012111.99283587-
Sinapoylspermine-ME780047--3.788251857-
Ssioriside-ME780081--7.884900635-
Stearic acidStearic acidME780160-C015303.230485466-
Threoninyl-ProlineThr-ProME780121--11.85269107-
ThymineThymineME780150-C001787.133973074-
Trehalose 6-phosphateTrehalose 6-phosphateME780049-C0068916.3296887-
Tridecanoic acidTridecylic acidME780033-C13795_C170763.364252847-
Undecanoic acidUndecylic acidME780040-C177153.50235233-
Valproic acidValproic acidME780145-C071853.984097672-
XanthineXanthineME780153-C0038511.40546884-
xi-gamma-Undecalactonegamma-UndecalactoneME780106-C085713.625858938-
Zinc dithionite-ME780036--18.44822672-


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