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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-dihydroxyethylphosphonate-ME512944--3.928644435-
(1,3-diphenylpropoxy)sulfonic acid-ME512939--16.59123434-
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-di...-ME512946-C149225.038023812-
15(R)-hydroperoxy-EPE-ME512945--10.34444381-
1-Deoxy-D-glucitol1-Deoxy-D-glucitolME512947--10.21863047-
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...-ME512943--3.683136113-
1-Methylhistidine1-MethylhistidineME512948-C0115212.84736294-
20-hydroxy-fusarin-ME512955--4.373766697-
2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME512953-C063268.958492533-
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohe...-ME512949--3.990931828-
2,3-diacetamido-2,3-dideoxy--D-mannuronate-ME512950--16.799598-
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic ac...-ME512954--22.81432387-
2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]a...-ME512952--17.03501112-
2,4-pentadienoic acidbeta-Vinyl acrylic acidME512951--13.91838438-
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)on...-ME512940--15.9425176-
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine-ME512956--4.710075748-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME512957-C0375216.9866481-
2-amino-2-deoxy-D-mannitol-ME512958--11.36704999-
2-Aminoheptanoate2-Aminoheptanoic acidME512959--13.37106908-
2'-deamino-2'-hydroxy-6'-dehydroparomamine-ME512960--15.902411-
2-Hydroxyadenine2-HydroxyadenineME512961--16.37087883-
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucosi...-ME512962--16.04888731-
2-Hydroxy-desipramine glucuronide-ME512963--10.45485636-
2-Oxoarginine2-OxoarginineME512964-C0377114.15035564-
2-Phenylethyl beta-D-glucopyranoside-ME512965--5.418113638-
3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-meth...-ME512966--12.5755704-
3',4',5'-Trimethoxycinnamyl alcohol acetate-ME512967--5.151009808-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...-ME512969--10.91998333-
3,5-dibromocatechol-ME512968--27.20848472-
3-Butynoate3-Butynoic acidME512970-C061447.86560001-
3-deoxy-D-galactose3-DeoxygalactoseME512971--12.0635194-
3-Epihydroxy-2'-deoxymugineic acid-ME512972-C1550214.72540193-
3-Ethylmalate-ME512973-C0198912.24385093-
3-Isopropenyl-6-oxoheptanoate-ME512974-C11419_C114054.007981492-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME512975-C03465_C00671_C0600811.38361244-
3-Methylcrotonylglycine3-MethylcrotonylglycineME512976--14.59795552-
3-nitro-2-pentanol-ME512977--8.210023452-
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME512978-C0294612.43913329-
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME512979-C0264813.87136046-
4-O--D-glucosyl-indol-3-yl formamide-ME512980--11.70267716-
4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoate-ME512981--12.63950461-
5,6-Dihydrouridine5,6-DihydrouridineME512982--13.38707773-
5-Acetamidovalerate5-Acetamidovaleric acidME512983-C0308712.2418918-
5-Aminopentanoic acid5-Aminopentanoic acidME512984-C0043111.35201374-
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pen...-ME512985--3.899041663-
5-Methylcytidine5-MethylcytidineME512986--10.57013927-
5'-Methylthioadenosine5'-MethylthioadenosineME512987-C001707.894713903-
6,10-Dimethyl-9-methylene-5-undecen-2-one-ME512990--6.060334847-
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethy...-ME512991--9.626976805-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME512992-C0433212.66560183-
6-(-D-glucosaminyl)-1-phosphatidyl-myo-inositol-ME512988--13.74679709-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME512993-C0458314.61557403-
6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahyd...-ME512989-C06486_C1552211.74546856-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...-ME512994--8.551932468-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME512995-C0109211.78314473-
(8-hydroxydecyl)-(hydroxymethyl)-piperidin-ol-ME512941--5.879966667-
9'-Carboxy-alpha-chromanol-ME512996--4.10834924-
9-mercaptodethiobiotin-ME512997--8.20733128-
Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrha...-ME512998--12.9588232-
AcetylcarnitineCAR 2:0ME512999-C0257111.05615914-
Acetylhomoserine-ME513000-C01077_C0570011.22555154-
AdenineAdenineME513001-C001479.707914318-
AdenosineAdenosineME513002-C00212_C071959.231538483-
Adenosine monophosphateAMPME513003-C00020_D0629913.49595642-
adenosine-N-oxide-ME513005--11.29200092-
Adenosine triphosphateATPME513004-C0000215.9394898-
AdenosylhomocysteineS-AdenosylhomocysteineME513006-C0002113.63262403-
AdenosylmethionineS-AdenosylmethionineME513007-C0001916.53217485-
Adenylsuccinic acidAdenylsuccinic acidME513008-C0379417.79216648-
ADPADPME513009-C0000814.0096066-
ADP-ribose 1"-2" cyclic phosphate-ME513010--16.43801117-
Ala/Ala/AlaAla-Ala-AlaME513011--10.17185388-
Ala/Ala/Ala/Pro-ME513012--10.02166072-
Ala/Ala/Ala/Ser-ME513013--16.05906576-
Ala/Ala/ArgAla-Ala-ArgME513014--13.8778656-
Ala/Ala/Asp/Asp-ME513015--16.79208342-
Ala/Ala/Asp/Pro-ME513016--14.77530009-
Ala/Ala/Asp/Ser-ME513017--15.14403435-
Ala/Ala/Asp/Tyr-ME513018--10.76487941-
Ala/Ala/CysAla-Ala-CysME513019--9.360094125-
Ala/Ala/Gly/Arg-ME513020--14.88850236-
Ala/Ala/SerAla-Ala-SerME513021--11.73113234-
Ala/Asn/GlyAla-Asn-GlyME513022--13.21485143-
Ala/Asn/ProAla-Asn-ProME513023--12.1597292-
Ala/Asp/Gln/Gln-ME513024--15.39085293-
Ala/Asp/Gly/Pro-ME513025--15.19432636-
Ala/Asp/Met/Pro/Thr-ME513026--10.52109693-
Ala/Asp/ProAla-Asp-ProME513027--14.51245552-
Ala/Asp/SerAla-Asp-SerME513028--15.43328524-
Ala/Cys/Met/Met/Pro-ME513029--14.10273607-
Ala/Glu/Gln/Glu-ME513030--15.46211255-
Ala/Glu/Glu/His-ME513031--15.1388972-
Ala/Glu/Glu/Pro/Gln-ME513032--14.38906083-
Ala/Glu/Ile/Pro/Thr-ME513033--7.845637243-
Ala/Glu/Met/Pro/Thr-ME513034--9.979149955-
Ala/Gly/Gly/Gly-ME513035--12.66362551-
Ala/Gly/ProAla-Gly-ProME513036--12.32945491-
Ala/Gly/SerAla-Gly-SerME513037--12.37137225-
Ala/Gly/TyrAla-Gly-TyrME513038--9.91424028-
Ala/His/Ile/Ile/Gln-ME513039--11.47281375-
Ala/Ile/Pro/Pro/Ser-ME513040--18.0925649-
Ala/Leu/Ala/Ser-ME513041--13.91177775-
Ala/Leu/Asn/Pro-ME513042--9.230795168-
Ala/Leu/Asp/Ser-ME513043--16.15868429-
Ala/Leu/Gly/Pro-ME513044--13.11179708-
Ala/Leu/Thr/Ala-ME513045--14.61561573-
Ala/Leu/Trp/Ser-ME513046--7.871818632-
Ala/Lys/Ala/Ala-ME513047--14.19569218-
Ala/Lys/Ala/Gln-ME513048--14.88983034-
Ala/Lys/Ala/Ser-ME513049--15.24556453-
Ala/Lys/Lys/Asp-ME513050--14.20046206-
Ala/Lys/Trp/Val-ME513051--27.90743963-
Ala/Lys/Val/Pro-ME513052--13.06521768-
Ala/Met/Ala/Pro-ME513053--6.144610228-
AlanineAlanineME513063-C00133_C0004114.68376275-
Alanyl-AsparagineAla-AsnME513064--12.72348035-
Alanyl-ProlineAla-ProME513065--11.3042186-
Alanyl-SerineAla-SerME513066--11.44002949-
Ala/Phe/Ala/Arg-ME513054--11.01721275-
Ala/Pro/Ser/Ser-ME513055--12.19662547-
Ala/Thr/Ala/Ala-ME513056--14.72347876-
Ala/Thr/Ala/Asp-ME513057--15.06226083-
Ala/Thr/Ala/Gln-ME513058--16.07353719-
Ala/Val/Asn/Pro-ME513059--9.817996037-
Ala/Val/Asp/Pro-ME513060--12.18605389-
Ala/Val/Asp/Ser-ME513061--14.96520002-
Ala/Val/Gly/Pro-ME513062--9.569423082-
AllopurinolAllopurinolME513067-D0022415.12808889-
Aminoadipic acidAminoadipic acidME513068-C0095615.23925305-
Aminohydroquinone-ME513069-C1460416.15407037-
ApiitolApiitolME513070-C0156910.25566513-
ArabitolArabitolME513071-C01904_C00379_C0047412.93258133-
ArginineArginineME513075-C00792_C0006223.85788648-
Arg/Leu/Asp/Gly-ME513072--13.54984516-
Arg/Leu/Lys/Asp-ME513073--12.04687452-
Arg-OEtEthyl arginateME513076-C0140421.36856497-
Arg/Val/Val/Asp-ME513074--14.19458332-
ascr#11-ME513077--13.21094681-
Asn/Asn/AspAsn-Asn-AspME513078--15.84075288-
Asn/Asn/Gly/Gly-ME513079--14.54636574-
Asn/Asn/Ser/Tyr-ME513080--13.97458954-
Asn/Glu/Ile/Pro-ME513081--12.71670736-
Asn/Glu/Ile/Ser-ME513082--13.10567919-
Asn/Glu/Ile/Val-ME513083--15.15709054-
Asn/Gly/Pro/Pro-ME513084--10.78397313-
Asn/Leu/Asp/His-ME513085--11.49759681-
Asn/Leu/Lys/Asp-ME513086--13.57871382-
Asn/Leu/Pro/Pro-ME513087--10.91507224-
Asn/Leu/Thr/Tyr-ME513088--12.41892742-
Asn/Met/Met/Pro-ME513089--15.12871196-
AsparagineAsparagineME513108-C01905_C0015215.19744545-
Asparaginyl-ArginineAsn-ArgME513109--16.44629415-
Asparaginyl-AsparagineAsn-AsnME513110--13.54774212-
Asparaginyl-Aspartic acidAsn-AspME513111--15.42528342-
Asparaginyl-ProlineAsn-ProME513112--12.97747311-
Asparaginyl-SerineAsn-SerME513113--13.33146961-
Asparaginyl-TyrosineAsn-TyrME513114--10.63951362-
Aspartyl-ArginineAsp-ArgME513115--16.81349357-
Aspartyl-AspartateAsp-AspME513116--16.94405557-
Aspartyl-L-prolineAsp-ProME513117--15.11255363-
Asp/Asp/Gln/Pro-ME513090--15.88854209-
Asp/Asp/Glu/Ile/Thr-ME513091--7.265300915-
Asp/Asp/GlyAsp-Asp-GlyME513092--17.78935173-
Asp/Cys/Cys/Ser-ME513093--16.74973157-
Asp/Gly/Gly/Pro-ME513094--15.38650377-
Asp/His/Ile/Asn/Arg-ME513095--3.893066688-
Asp/His/Ile/Val/Trp-ME513096--3.860007435-
Asp/His/Met/Pro/Arg-ME513097--10.02039631-
Asp/His/Pro/Ser/Thr-ME513098--12.19429597-
Asp/Lys/Lys/Arg/Trp-ME513099--3.883851878-
Asp/Lys/Lys/Asp-ME513100--15.20098911-
Asp/Met/Met/Arg/Tyr-ME513101--15.13528883-
Asp/Phe/Gln/Pro-ME513102--12.03453799-
Asp/Phe/Phe/Gly/Arg-ME513103--3.885477828-
Asp/Phe/Phe/Ile/Arg-ME513104--3.865137058-
Asp/Phe/Pro/His-ME513105--11.11660198-
Asp/Val/Gly/Ser-ME513106--16.53966098-
Asp/Val/Pro/Ser-ME513107--9.952304642-
Avenic acid A-ME513118--15.06860561-
benzalkonium-ME513119--8.052270628-
BenzofuranBenzofuranME513120-C145127.896966702-
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME513121-C0534016.47401775-
beta-Alanyl-L-lysine-ME513122-C0534116.51710881-
beta-aspartyl-L-alanine-ME513123--15.922638-
beta-aspartyl-L-glutamic acid-ME513124--16.8975647-
beta-aspartyl-L-leucine-ME513125--12.64001109-
Beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME513126--19.38684252-
BretyliumBretyliumME513127-C0685511.54782134-
BrugineBrugineME513128-C1084912.09872589-
BrunfelsamidineBrunfelsamidineME513129-C1013316.12770651-
Caffeoylferuloylspermidine-ME513130--9.356281415-
Callyspongenol D-ME513131--9.228820348-
Carnitinamide-ME513132-C0229022.28450928-
CarnitineCarnitineME513133-C00318_C00487_C1502513.28313797-
CDP-EthanolamineCDP-EthanolamineME513134-C0057016.10787777-
CDP-glucoseCDP-glucoseME513135-C0050115.73274254-
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME513136-C001953.904978717-
CHAPSCHAPSME513137-C113219.218321342-
CholineCholineME513138-C0011420.01806058-
CiticolineCDP-cholineME513139-C0030715.15288154-
CitrullineCitrullineME513140-C0032715.86048931-
CMP-2-aminoethylphosphonateCMPciliatineME513141-C0567315.08534636-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME513142-C0567414.21101295-
CoformycinCoformycinME513143-C0167714.3546568-
Cohibin C-ME513144--3.67970834-
CreatineCreatineME513145-C0030014.6280629-
CreatinineCreatinineME513146-C007919.814863633-
cyclic dehypoxanthinylfutalosine-ME513147--11.28379768-
cyclic GMP-AMP-ME513148--14.05281762-
Cys/Asn/Asn/Arg/Ser-ME513149--13.70971553-
Cys/Cys/Asp/Asp/Phe-ME513150--13.36449992-
Cys/Gly/Lys/Ser/Tyr-ME513151--9.744831403-
Cys/Gly/ProCys-Gly-ProME513152--10.57164346-
Cys/Gly/Trp/Trp/Trp-ME513153--10.3728454-
Cys/His/Ile/Ile/Lys-ME513154--4.705261117-
Cys/His/Pro/Gln/Thr-ME513155--16.46981484-
Cys/Leu/Met/Pro-ME513156--14.81611125-
Cys/Lys/Thr/Thr/Thr-ME513157--13.90441476-
Cysteinosuccinic acidS-Cysteinosuccinic acidME513158--16.80817595-
CytidineCytidineME513159-C00475_C0296111.93356939-
Cytidine monophosphateCMPME513160-C0005515.54973704-
DapDiallyl phthalateME513161--11.69183039-
D-desosamine-ME513162--12.68265285-
dehydrocheilanthifoline-ME513163--12.5981603-
Deoxyadenosine monophosphatedAMPME513164-C0036012.49872403-
DethiobiotinDethiobiotinME513165-C019098.483774135-
Didodecyl thiobispropanoateDidodecyl thiobispropanoateME513166--6.232785612-
Diferuloylputrescine-ME513167--12.98459209-
dihydrothymidine5,6-DihydrothymidineME513168--14.78403336-
DihydrothymineDihydrothymineME513169-C0090614.75146245-
DimethylethanolamineDimethylethanolamineME513170-C0430817.23181808-
DimethylglycineDimethylglycineME513171-C0102613.98311518-
Diphthamide-ME513172--21.51603733-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME513173--13.30206206-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME513174--15.25311656-
ErgothioneineErgothioneineME513175-C0557014.73827317-
ethyl-(4-aminophenyl)-1-deoxy-D-ribitol-ME513176--12.42901849-
Europine-ME513177-C103017.898535157-
FA (14:2) tetradecadienal-ME513178--5.087250727-
FeHM-ME513179--28.3440832-
FenamiphosFenamiphosME513180-C1865913.96068044-
Fenugreekine-ME513181--14.01299444-
formycin AFormycin AME513182--12.56667654-
gamma-Aminobutyric acidgamma-Aminobutyric acidME513184-C0033415.43394406-
gamma-Glutamylcysteinegamma-GlutamylcysteineME513185-C0066913.82388978-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME513186-C1570011.29535658-
gamma-Glutamylisoleucinegamma-GlutamylisoleucineME513187--11.09455923-
Gamma glutamyl ornithinegamma-GlutamylornithineME513183--16.28824633-
Gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME513188-C0569515.94772305-
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME513189--13.25147065-
gamma-L-Glutamyl-L-pipecolic acid-ME513190--11.37064608-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME513191-C0513612.35924903-
Gln/Thr/Trp/Pro-ME513192--8.015781275-
glorin-ME513193--21.59738905-
Glu/Ala/AlaGlu-Ala-AlaME513194--12.43241204-
Glu/Ala/GluGlu-Ala-GluME513195--15.78367842-
Glu/Ala/ProGlu-Ala-ProME513196--14.30125563-
Glu/Ala/SerGlu-Ala-SerME513197--14.73386762-
Glu/Ala/ValGlu-Ala-ValME513198--10.7473574-
Glu/Arg/AsnGlu-Arg-AsnME513199--15.86584604-
Glu/Arg/TyrGlu-Arg-TyrME513200--11.3805706-
Glu/Asp/ProGlu-Asp-ProME513201--16.60569297-
GlucosamineGlucosamineME513215-C0032914.72161061-
Glu/Glu/Gln/His-ME513202--15.71924504-
Glu/Glu/Gln/Trp-ME513203--7.897207882-
Glu/Glu/Glu/Lys/Trp-ME513204--11.72295-
Glu/Glu/HisGlu-Glu-HisME513205--12.90209997-
Glu/Glu/Ile/Met-ME513206--9.807956815-
Glu/Glu/Lys/Pro-ME513207--16.16983886-
Glu/Glu/ProGlu-Glu-ProME513208--16.46171672-
Glu/Glu/Pro/Thr-ME513209--15.0104777-
Glu/Ile/Gln/Lys-ME513210--12.66179125-
Glu/Met/SerGlu-Met-SerME513211--13.10517878-
Glu/Met/Thr/Thr-ME513212--10.57323928-
Glu/Phe/Ala/Pro-ME513213--10.70042233-
Glu/Ser/ThrGlu-Ser-ThrME513214--15.87997957-
Glutamic acidGlutamic acidME513216-C00025_C00302_C0021714.4142727-
GlutamineGlutamineME513217-C00819_C0006415.00913109-
GlutamylarginineGlu-ArgME513218--16.59685771-
GlutamyllysineGlu-LysME513219-C0470016.68144627-
GlutamylthreonineGlu-ThrME513220--14.49920745-
Glutarate semialdehydeGlutarate semialdehydeME513221-C0327313.87134787-
GlutathioneGlutathioneME513222-C00051_C0247114.04553572-
Gly/Arg/Trp/Trp/Trp-ME513223--4.337491665-
Glycerol 1-propanoate diacetate-ME513225--15.10498921-
Glycerophosphocholinesn-Glycero-3-phosphocholineME513226-C0067014.45293427-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME513227-C0327412.26495644-
glycerophosphoserinesn-Glycero-3-phosphoserineME513228--11.83760618-
Glycyl-ArginineGly-ArgME513229--16.98353918-
GlycylleucineGly-LeuME513230-C0215512.89443184-
GlycylprolineGly-ProME513231--12.23861288-
Gly/His/His/His/Val-ME513224--7.869246897-
Gravolenic acid-ME513232--4.353533328-
GuanineGuanineME513233-C0024212.33790986-
Guanosine 3'-phosphateGuanosine 3'-monophosphateME513234-C0619316.36656952-
Guanosine diphosphate mannoseGDP-mannoseME513235-C00394_C15925_C02280_C00096_C0158117.73896282-
His/Arg/Arg/Val/Trp-ME513236--6.920463682-
HistidineHistidineME513237-C06419_C0013514.61616507-
Homo-L-arginineHomoarginineME513238-C0192422.48584267-
hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME513239--10.72395882-
Hydroxyprolyl-Tryptophan-ME513240--9.461102893-
HypoxanthineHypoxanthineME513241-C0026210.20061206-
icos#3-ME513242--4.131437005-
Ile/Ala/GlyIle-Ala-GlyME513243--8.141934353-
Ile/Ala/SerIle-Ala-SerME513244--13.82123724-
Ile/Ala/ThrIle-Ala-ThrME513245--12.69203527-
Ile/Asp/AspIle-Asp-AspME513246--15.55822652-
Ile/Cys/GlyIle-Cys-GlyME513247--10.98645545-
Ile/Gly/GlyIle-Gly-GlyME513248--8.604542242-
Ile/Gly/HisIle-Gly-HisME513249--9.917828738-
Ile/His/ProIle-His-ProME513250--11.47190396-
Ile/Ile/Ile/Ile-ME513251--6.99839291-
Ile/Thr/Pro/Pro-ME513252--13.20340489-
Ile/Trp/Trp/Trp/Trp-ME513253--11.35994873-
InosineInosineME513254-C0029410.91045891-
IsoleucineIsoleucineME513255-C06418_C0040711.38372202-
Isoleucyl-AlanineIle-AlaME513256--12.81217589-
Isoleucyl-ArginineIle-ArgME513257--12.5722019-
Isoleucyl-AsparagineIle-AsnME513258--9.366301952-
Isoleucyl-LysineIle-LysME513259--12.68823344-
IsoleucylprolineIle-ProME513260--7.886915103-
Isoleucyl-SerineIle-SerME513261--8.03405295-
Isothipendyl-ME513262--5.309502778-
Isovalerylglutamic acid-ME513263--12.97703241-
Japonin-ME513264--22.80579427-
KyotorphinTyr-ArgME513265-C0299314.17142747-
LenticinLenticinME513266-C092138.831732573-
LeucineLeucineME513267-C01570_C00123_C1643911.043203-
LeucylprolineLeu-ProME513268--10.27965452-
Levcromakalim-ME513269-C11697_C118197.165312053-
LotaustralinLotaustralinME513270-C0833412.71486222-
Lys/Ala/GlyLys-Ala-GlyME513271--16.28760687-
Lys/Gly/HisLys-Gly-HisME513272--15.80992779-
LysineLysineME513275-C00739_C0004722.81825007-
Lys/Lys/Thr/Trp/Tyr-ME513273--3.857545387-
Lys/Met/Met/Val-ME513274--13.83497493-
LysoPC(16:0)LPC 16:0ME513276-C04102_C042307.864327777-
LysoPC(18:0)LPC 18:0ME513277-C042307.861822227-
LysopineD-LysopineME513278-C0402017.12617595-
Lysyl-AsparagineLys-AsnME513279--16.51591656-
Lysyl-GlycineLys-GlyME513280--16.73513895-
Lysyl-HistidineLys-HisME513281--16.15936055-
Lysyl-PhenylalanineLys-PheME513282--11.87051092-
Lysyl-ProlineLys-ProME513283--15.30933697-
Lysyl-SerineLys-SerME513284--16.61882223-
Lysyl-ThreonineLys-ThrME513285--15.84442641-
Lysyl-TyrosineLys-TyrME513286--14.32009523-
Lysyl-ValineLys-ValME513287--22.02870358-
Magnoflorine-ME513288-C0958110.38221481-
MannitolMannitolME513289-C0039213.90290084-
MelaninMelaninME513290-C0560615.54804541-
Met/Ala/GlyMet-Ala-GlyME513291--12.66488337-
MethionineMethionineME513294-C01733_C00855_C0007311.57130845-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME513295-C0122314.15739164-
Methyl -8'-oxo-6,8'-diapo-6-carotenoate-ME513296--15.5084265-
Met/Met/MetMet-Met-MetME513292--13.8826954-
Met/Thr/Thr/Ser-ME513293--14.71656887-
Monoethylhexyl phthalic acidMonoethylhexyl phthalic acidME513297-C033434.136601512-
Montecristin-ME513298--3.673600007-
Muramic acidMuramic acidME513299-C0647014.24535376-
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazolealpha-RibazoleME513310-C057759.779355875-
N-(1-Deoxy-1-fructosyl)proline-ME513300--12.2490764-
N-(1-Deoxy-1-fructosyl)threonine-ME513301--10.74150397-
N2-Fructopyranosylarginine-ME513311--18.22863722-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME513312-C0528314.87792675-
N2-SuccinoylarginineN2-SuccinoylarginineME513313-C0329612.6637824-
N2-Succinyl-L-ornithineN2-SuccinylornithineME513314-C0341513.23226109-
N-(4-oxoglutaryl)-L-cysteinylglycine-ME513302--17.7108846-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME513315--11.00208842-
N6-Acetyl-LL-2,6-diaminoheptanedioate-ME513317-C0439012.52355364-
N6-Acetyl-L-lysineN6-AcetyllysineME513318-C027277.983741692-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME513319-C0395517.86981472-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME513316-C0379321.59949103-
N-a-AcetylcitrullineN-AcetylcitrullineME513320-C1553212.03169917-
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME513321-C0107314.38744766-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME513322-C0014011.95401898-
N-acetyl-L-2-aminoadipate(2-)N-Acetyl-2-aminoadipic acidME513323-C1298611.96072277-
N-AcetyllactosamineN-AcetyllactosamineME513324-C0061113.77350639-
N-AcetylleucineN-AcetylleucineME513325-C0271011.83560828-
N-acetyl-L-glutaminyl-L-glutamine amide-ME513326--15.38053152-
N-AcetylputrescineN-AcetylputrescineME513327-C0271419.09665157-
NADPNADPME513328-C0000616.43813335-
N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoet...-ME513303--7.816204608-
N-(eicosanoyl)-tetradecasphing-4-enineCer 14:1;O2/20:0ME513304-C001953.89338135-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME513329-C05545 _C0554521.28923125-
Neuraminic acidNeuraminic acidME513330-C0646916.42764587-
NiacinamideNiacinamideME513331-C001537.953337837-
Nicotinamide ribotideNicotinamide ribotideME513332-C0045515.13431487-
N-(L-Arginino)succinateArgininosuccinic acidME513305-C0340616.57217402-
N-methyl-L-glutamic AcidN-Methyl-glutamic acidME513333-C0104616.02485227-
Nopaline-ME513334-C08508_C0168216.4965893-
notoamide E-ME513335--5.161998098-
N-palmitoyl prolineN-Palmitoyl prolineME513336--3.871925028-
N-(pentacosanoyl)-sphing-4-enine-1-phosphocholineSM 18:1;O2/25:0ME513306--7.691882512-
N-(tetracosanoyl)-tetradecasphing-4-enine-1-phosph...-ME513307--7.787413713-
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoe...-ME513308--7.80691133-
N-(tricosanoyl)-tetradecasphingadienine-1-phosphoe...-ME513309--7.818701822-
O-PhosphoethanolaminePhosphoethanolamineME513337-C0034615.81357653-
Ophthalmic acidOphthalmic acidME513338--13.13890279-
OrnithineOrnithineME513339-C01602_C00077_C0051522.11478772-
Ovalitenin A-ME513340--11.9118611-
Oxidized glutathioneOxidized glutathioneME513341-C0012717.07890755-
PalmitoylcarnitineCAR 16:0ME513342-C029904.71320221-
PC(12:0/20:1)PC 12:0/20:1ME513343-C001574.127261098-
PC(14:0/16:0)PC 14:0/16:0ME513344-C001574.146751842-
PC(14:0/20:1)PC 14:0/20:1ME513345-C00157_C138755.133865172-
PC(14:0/20:2)PC 14:0/20:2ME513346-C001574.106539397-
PC(14:0/22:1)PC 14:0/22:1*ME513347-C001574.10465682-
PC(14:0/22:4)PC 14:0/22:4ME513348-C001574.088018187-
PC(14:1/15:0)PC 14:1/15:0*ME513349-C001573.934900002-
PC(16:0/16:0)PC 16:0/16:0ME513350-C001574.819775043-
PC(16:0/22:4)PC 16:0/22:4ME513351-C001574.02295589-
PC(16:0/22:5)PC 16:0/22:5ME513352-C001574.049507395-
PC(16:0/22:6)PC 16:0/22:6ME513353-C001574.021123535-
PC(17:0/12:0)PC 17:0/12:0*ME513354-C001573.774255597-
PC(18:0/22:5)PC 18:0/22:5ME513355-C001573.998833347-
PC(18:0/22:6)PC 18:0/22:6ME513356-C001574.01834909-
PC(18:1/18:1)PC 18:1/18:1ME513357-C001574.086951505-
PC(35:6)PC 35:6ME513358--3.949874058-
PC(MonoMe(11,3)/MonoMe(11,3))-ME513359--3.726037018-
PE(14:0/18:0)PE 14:0/18:0*ME513360-C003506.997985027-
PE(14:0/20:1)PE 14:0/20:1ME513361-C00350_C138774.093450027-
PE(14:0/20:3)PE 14:0/20:3ME513362-C003504.037390745-
PE(14:0/22:5)PE 14:0/22:5ME513363-C003504.008994448-
PE(15:0/20:0)PE 15:0/20:0*ME513364-C003505.739217423-
PE(15:0/22:1)PE 15:0/22:1*ME513365-C003505.603512897-
PE(15:0/22:2)PE 15:0/22:2ME513366-C003505.10955154-
PE(16:0/22:1)PE 16:0/22:1ME513368-C003504.093469478-
PE(16:0(9Cp)/16:0(9Cp))-ME513367-C003504.061466645-
PE(18:1/14:0)PE 18:1/14:0*ME513369-C003506.855799047-
PE(19:0)PE 19:0ME513370--4.782812742-
PE(20:4/P-18:1)-ME513371-C003503.96075-
PE(37:1)PE 37:1ME513372--4.11630531-
PE(39:1)PE 39:1ME513373--5.042501485-
PE(39:2)PE 39:2ME513374--5.062257942-
PE(O-18:1/20:4)PE O-18:1/20:4ME513375-C003503.934426447-
PG(16:0/22:6)PG 16:0/22:6ME513376--3.578513887-
Phe/Asp/HisPhe-Asp-HisME513377--10.68001234-
Phe/Ile/Lys/Lys/Lys-ME513378--3.86670834-
PhenylacetaldehydePhenylacetaldehydeME513380-C006017.727948507-
PhenylalaninePhenylalanineME513381-C02265_C0007910.22394927-
Phenylalanyl-ArgininePhe-ArgME513382--11.74606775-
Phenylalanyl-AsparaginePhe-AsnME513383--8.023143125-
phenyl sulfoxide-ME513379--17.02731832-
PhosphonoacetaldehydePhosphonoacetaldehydeME513384-C0316714.85804647-
PhosphorylcholineCholine phosphateME513385-C0058814.86215537-
PicolinamidePicolinamideME513386-C0195013.94837129-
Pipecolic acidPipecolic acidME513387-C0040812.45325516-
PiperidinePiperidineME513388-C0174610.91197164-
platensimycin-ME513389--15.10771467-
Ponatinib-ME513390--10.45571467-
Pro/Arg/HisPro-Arg-HisME513391--26.53825758-
Proclavaminic acidProclavaminic acidME513392-C0665812.55026658-
ProlineProlineME513393-C00148_C0076312.79259015-
Proline betaineProline betaineME513394-C1017210.70413325-
Prolyl-ArgininePro-ArgME513395--15.32638921-
Prolyl-HistidinePro-HisME513396--11.93272651-
PropionylcarnitineCAR 3:0ME513397-C030179.833106902-
PS(16:0/18:0)PS 16:0/18:0ME513398--3.6761889-
PS(16:0/18:1)PS 16:0/18:1ME513399-C138807.280563892-
PS(16:0/18:2)PS 16:0/18:2*ME513400--3.792264797-
PS(16:0/20:4)PS 16:0/20:4ME513401--7.203374085-
PS(16:0/22:2)PS 16:0/22:2*ME513402--3.669428692-
PS(16:1/22:0)PS 16:1/22:0*ME513403--3.664209253-
PS(18:0/18:0)PS 18:0/18:0ME513404--3.671886118-
PS(18:0/18:1)PS 18:0/18:1ME513405-C027377.209883358-
PS(18:0/18:2)PS 18:0/18:2ME513406--3.753190725-
PS(18:0/20:4)PS 18:0/20:4ME513407-C027376.969827137-
PS(52:0)PS 52:0ME513408--3.680546287-
psicoselysinePsicosyllysineME513409--21.20924083-
PyridoxalPyridoxalME513410-C002508.111895803-
Pyroglutamic acidPyroglutamic acidME513411-C02237_C018799.912702295-
quinocarcin-ME513412--22.81914708-
(R) 2,3-Dihydroxy-3-methylvalerate-ME512942-C06007_C041046.93977777-
RhamnoseRhamnoseME513413-C005077.876173203-
SerineSerineME513414-C00716_C00740_C0006515.69588554-
SerylarginineSer-ArgME513415--16.55838623-
SlaframineSlaframineME513416-C0618510.18419314-
SM(d16:0/20:0)SM 16:0;O2/20:0ME513417-C005507.786008327-
SM(d16:1/22:0)SM 16:1;O2/22:0ME513418-C005507.790583347-
SM(d16:1/24:0)SM 16:1;O2/24:0ME513419-C005507.778224252-
SM(d18:1/14:0)SM 18:1;O2/14:0ME513420--7.828066622-
SM(d18:1/18:0)SM 18:1;O2/18:0ME513421-C005507.803523305-
SM(d18:1/20:1)SM 18:1;O2/20:1ME513422--7.775487263-
SM(d18:1/23:0)SM 18:1;O2/23:0ME513423-C005507.767174123-
SM(d18:1/24:0)SM 18:1;O2/24:0ME513424--7.758713647-
SM(d18:1/26:0)SM 18:1;O2/26:0ME513425-C005507.737754135-
SM(d18:1/26:1)SM 18:1;O2/26:1ME513426-C005507.727139207-
SM(d18:2/18:0)SM 18:2;O2/18:0ME513427-C005507.805061087-
SM(d18:2/22:0)SM 18:2;O2/22:0ME513428-C005507.775879975-
SM(d18:2/23:0)SM 18:2;O2/23:0ME513429--7.769016708-
SM(d18:2/24:0)SM 18:2;O2/24:0ME513430-C005507.764579565-
SM(d18:2/25:0)SM 18:2;O2/25:0ME513431--7.745539828-
SM(d42:3)SM 42:3;O2ME513432--7.755984192-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME513433-C0123315.61998427-
StearoylcarnitineCAR 18:0ME513434--7.825358887-
Styrene Oxide-ME513435-C020837.02382505-
SuccinyladenosineSuccinyladenosineME513436--14.14846474-
Sulfinpyrazone sulfide-ME513437--16.22278883-
TemurinTemurinME513438--9.467517628-
Tetraethylene glycolTetraethylene glycolME513439--5.18962652-
Thr/Ala/ProThr-Ala-ProME513440--15.35602351-
Thr/Ala/SerThr-Ala-SerME513441--16.63064683-
Threoninyl-Alanine-ME513445--22.79792605-
Threoninyl-Arginine-ME513446--15.69626477-
Threoninyl-TryptophanThr-TrpME513447--7.885706265-
Threoninyl-Tyrosine-ME513448--9.551800957-
Thr/Thr/AlaThr-Thr-AlaME513442--15.81348422-
Thr/Trp/CysThr-Trp-CysME513443--15.42690096-
Thr/Trp/ProThr-Trp-ProME513444--8.059385117-
Tributyl phosphateTributyl phosphateME513449-C144394.146285957-
TryptophanTryptophanME513450-C00806_C00078_C0052511.62663145-
Tryptophyl-AsparagineTrp-AsnME513451--9.756355682-
TyrosineTyrosineME513452-C06420_C00082_C0153612.92710198-
Ureidosuccinic acidN-Carbamoylaspartic acidME513453-C0043816.26096644-
Val/Asp/HisVal-Asp-HisME513454--12.33585977-
ValclavamValclavamME513455-C0666812.43444997-
ValineValineME513456-C16436_C00183_C0641712.47150449-
Valyl-ArginineVal-ArgME513457--13.61960784-
Valyl-ValineVal-ValME513458--7.818925578-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole-ME513459--10.38063428-


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
11-dehydro-2,3-dinor-TXB211-Dehydro-2,3-dinor-TXB2ME513700--4.607206875-
(13S,14R)-1,13-dihydroxy-N-methylcanadine-ME513720--10.38277167-
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME513642-C104824.011237025-
16-bromo-hexadecadien-5,13-diynoic acid-ME513693--12.48579808-
1-(eicosatetraenoyl)-sn-glycero-3-phosphoserine-ME513765--4.234044807-
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycero...-ME513749--3.961481372-
1-O-Cinnamoyl-beta-D-glucose1-O-trans-Cinnamoyl-beta-D-glucoseME513681-C041644.340929638-
1-(sn-Glycero-3-phospho)-myo-inositolsn-Glycero-3-phosphoinositolME513698-C0122515.83735459-
1-StearoylglycerophosphoglycerolLPG 18:0ME513758--3.919262032-
1-thio--D-glucose-ME513552--8.083804603-
2,3,4,5-Tetrahydroxypentanoic acid-ME513517-C01685_C00502_C05411_C05412_C0087812.47358551-
2,3,4-trihydroxy-butanoic acidThreonic acidME513491-C0162011.79961284-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...-ME513592--4.821122205-
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME513625-C0115917.75988877-
2-[4,6-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-y...-ME513646--4.820161155-
2,4-diamino-6-ethyl-5,3'-(2-cyclohexylphenoxy)prop...-ME513730--4.336264757-
2-(4-sulfophenyl)decane-ME513661--3.817782535-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME513656-C0452112.71673155-
2-Aceto-2-hydroxybutanoic acid-ME513500-C06006_C006596.186417435-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...-ME513583--4.483972197-
2-carboxy-L-xylonolactone-ME513547--17.61109842-
2-C-methyl-D-erythritol-2,4-cyclodiphosphate-ME513639--15.04610183-
2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone-ME513838--7.772839992-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME513655-C0458012.16179171-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME513696--3.778829517-
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]ami...-ME513633--4.752764837-
2-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)ph...-ME513590-C124574.341770328-
2-Hydroxy-3-(phosphonatooxy)propanoate3-Phosphoglyceric acidME513540-C0019716.34640639-
2-Hydroxydecanoate2-Hydroxycapric acidME513544--4.181125005-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME513482-C0512310.25791846-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME513505-C02630_C03196_C0108714.80899695-
2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acidME513636--3.988136372-
2-Hydroxystearic acid2-Hydroxystearic acidME513668-C03045_C030424.008999992-
2-isocapryloyl-hydroxymethyl--butyrolactone-ME513596--4.847488612-
2-Keto-3-deoxy-D-gluconic acid-ME513532-C01216_C0020412.19187655-
2-Ketobutyric acid3-Methyl pyruvic acidME513470-C001097.864145475-
2-Methyl-3-oxopropanoic acid-ME513469-C06002_C0034913.83344768-
2-octenal2-OctenalME513483--4.275888628-
2-Phenylethyl beta-D-glucopyranoside-ME513648--7.850435615-
2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate-ME513607--12.75004123-
(2R,4S)-2,4-Diaminopentanoate-ME513488-C0394323.81892845-
3',4',5'-Trimethoxycinnamyl alcohol acetate-ME513626--4.365282465-
3-Amino-2-piperidone3-Amino-2-piperidoneME513475--15.10567651-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole-ME513637-C1110712.08931095-
3-carboxy-2,3-dihydroxypropanoate-ME513506-C00552_C0089817.81922718-
3-deoxy-D-galactose3-DeoxygalactoseME513518--11.39137154-
3-Hydroxyhexobarbital-ME513608-C030687.870468618-
3-Oxooctadecanoic acid-ME513662--3.958276528-
3-Phosphonopyruvate-ME513519-C0279815.54115736-
3-sulfopropanoate-ME513509--15.88202579-
3'-UMP3'-UMPME513694-C0136814.78849442-
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobuty...-ME513706--16.63327451-
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME513511-C0033710.67860927-
4-acetoxy-10,15-dihydroxyprobotryane-ME513687--4.177322723-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME513582-C1135512.58000833-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME513531-C0603412.68680748-
4-Hydroxyphenylacetaldehyde4-HydroxyphenylacetaldehydeME513493-C037654.589182535-
4-Methylbenzoic acid4-Methylbenzoic acidME513494-C014546.865531783-
4-Nitrophenol-alpha-D-galactopyranoside-ME513670-C0445212.33170687-
4-Nitrophenyl-3-ketovalidamine-ME513660-C0399513.84547871-
4-Octylphenol4-OctylphenolME513567-C141326.797733307-
4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME513664-C0349214.78308993-
4-Pyridoxolactone4-PyridoxolactoneME513516-C0097113.82248332-
5-{[-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hy...-ME513731--15.55927226-
5,6-Dihydrouridine5,6-DihydrouridineME513602--12.57025271-
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavon...5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucosideME513771--14.78108233-
5-Aminopentanamide5-AminopentanamideME513478-C0099013.22324518-
5-deoxy-D-glucuronate-ME513533--11.48024241-
6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4...-ME513680--14.61851287-
6-[2-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-...-ME513737--14.88214506-
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4...-ME513791--13.502224-
6,7-Dihydroxy-5,4'-dimethoxy-flavylium-ME513666--9.691799023-
6-Phosphogluconic acid6-Phosphogluconic acidME513638-C0034516.67345282-
7-(4-Carboxybutanamido)cephalosporanate-ME513721-C1566610.20161376-
7,8-diketopelargonate-ME513541--4.828056035-
8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone-ME513691--10.23692316-
8-hydroxy-17-octadecadien-9-ynoic acid-ME513657--4.232027273-
9-Oxo-nonanoic acid9-Oxo-nonanoic acidME513524-C163224.792163663-
a 2-acyl-sn-glycero-3-phosphoglycerol (n-C18:1)-ME513757--3.933711752-
(acetamidomethyl)phosphonate-ME513508--14.87248343-
AcetamidopropanalAcetamidopropanalME513476-C1817014.99399248-
Acetyl-maltoseAcetyl-maltoseME513719-C0213015.16778229-
agarotriose-ME513751--15.16554862-
Ala/Ala/Ala/Asp-ME513702--13.18994984-
Ala/Ala/ProAla-Ala-ProME513612--15.23234899-
Ala/Asp/Asp/Gly-ME513715--17.00725493-
Ala/Asp/Gln/Tyr-ME513753--12.44543433-
Ala/Asp/GlyAla-Asp-GlyME513621--15.17250643-
Ala/Asp/Gly/Tyr-ME513734--13.93192633-
Ala/Cys/Cys/Cys/Glu-ME513759--13.89223322-
Ala/Cys/Cys/Lys/Ser-ME513756--14.77292061-
Ala/Glu/Ile/Ser-ME513733--7.893279203-
Ala/Gly/GlyAla-Gly-GlyME513562--13.80974127-
Ala/Gly/TyrAla-Gly-TyrME513679--7.891415745-
Ala/Lys/Met/Trp-ME513761--28.1696819-
Ala/Met/Asp/Tyr-ME513754--10.38416206-
Ala/Met/Met/Met-ME513747--9.90825303-
Alanyl-D-alanine-ME513513-C0099311.03757805-
AlanylglycineAla-GlyME513501--12.34715751-
Alanyl-SerineAla-SerME513530--12.23741772-
Ala/Phe/Phe/Cys-ME513752--13.22255-
Ala/Thr/Asp/Gln-ME513739--14.08258912-
Ala/Val/Asp/Ser-ME513723--12.17829416-
alpha-Ironealpha-IroneME513566-C09690_C113504.347931047-
Alpha-Ketooctanoic acid-ME513512--7.843048488-
Altronate-ME513555-C0081713.62900835-
AMP-Mor-ME513732--14.71628881-
ApioleApioleME513579-C104297.80870759-
Apiumoside-ME513772--28.41297212-
Arachidic acidArachidic acidME513688-C064253.863223452-
Arg/Leu/Thr/Tyr-ME513767--16.97383035-
Arg/Val/Gly/Pro-ME513736--13.83954909-
Asn/Leu/Pro/Ser-ME513738--14.71056208-
Asn/Thr/Cys/Cys-ME513740--14.46163144-
Asn/Val/Val/Asp-ME513741--11.37002947-
Aspartate-semialdehydeAspartate-semialdehydeME513479-C0044110.17038935-
Aspartic acidAspartic acidME513489-C00049_C0040214.68994626-
Asp/Asp/Phe/Ile/Tyr-ME513788--14.84059288-
Asp/Ile/Ile/Ile/Ile-ME513777--14.64834442-
Asp/Lys/Pro/Pro/Ser-ME513764--10.46427315-
Asp/Met/Phe/Ser-ME513755--9.638504707-
Asp/Phe/Ile/Tyr/Tyr-ME513802--11.71786361-
Asp/Phe/Phe/Gly-ME513748--13.06800161-
avenolide-ME513593--4.012293208-
BergaptolBergaptolME513558-C0075814.99397216-
beta-aspartyl-L-alanine-ME513563--15.16879996-
beta-aspartyl-L-glutamic acid-ME513623--13.88878801-
beta-aspartyl-L-leucine-ME513603--11.49491001-
beta-aspartyl-L-serine-ME513578--15.36427595-
beta-aspartyl-L-threonine-ME513589--15.18723416-
Bipindogulomethyloside-ME513768-C08848_C08874_C0885128.58640147-
Bis-D-fructose 2',1:2,1'-dianhydrideBis-D-fructose 2',1:2,1'-dianhydrideME513695-C0433314.51955561-
BotrydialBotrydialME513683-C096223.998346225-
BurseranBurseranME513722-C105474.342611073-
C22-mycosanoate-ME513701--3.835324223-
Caffeic acid 3-sulfate-ME513615--15.27103971-
Caftaric acid-ME513685--12.49237302-
Capric acidCapric acidME513526-C015714.24466896-
Carglumic acidCarglumic acidME513546-C0582916.19126197-
CDPCDPME513727-C0011216.59172938-
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME513784-C001954.290954688-
Cholesterol sulfateCholesterol sulfateME513745-C180433.708043197-
Cyclic ADP-riboseCyclic ADP-riboseME513763-C1305014.01401305-
Cyclopassifloside II-ME513793--15.09723236-
Cys/Asp/Ser/Ser/Tyr-ME513774--14.21521883-
Cys/Cys/Cys/His/Asn-ME513775--15.11963328-
Cys/Cys/Phe/Lys/Trp-ME513794--3.944597217-
Cys/Cys/Ser/Ser/Ser-ME513750--14.40966667-
Cys/Phe/Lys/Met/Trp-ME513800--3.947929623-
Dedimethylchlorpromazine-ME513654--12.45085401-
DemonomethylchlorpromazineNorchlorpromazineME513675--12.58480985-
DGCC(20:5/20:5)-ME513830--4.144566685-
diazaborine-ME513665--10.40676815-
DichotosinDichotosinME513742--4.329926893-
Dide-O-methylsimmondsin-ME513704--13.8585892-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME513485-C011257.85133637-
dihydrogeranylgeranyl bacteriopheophytin-ME513839--3.777742583-
DihydroxyacetoneDihydroxyacetoneME513461-C0018413.86539025-
dXMP-ME513705--15.13471945-
Eicosenoic acidEicosenoic acidME513684--3.87013485-
EmbelinEmbelinME513658-C103427.752066595-
Epoxymurin A-ME513760-C084843.914231492-
Eucaglobulin-ME513606--7.571324227-
Eupatocunin-ME513729-C094374.390956483-
FA (12:1) Decenedioic acidDecenedioic acidME513557--4.832506815-
FA (18:2)Octadecadienoic acidME513645--3.919440923-
FA (18:3)Octadecatrienoic acidME513643--3.938110595-
FA hydroxy(12:1)-ME513534--4.340930572-
FA hydroxy(18:0)-ME513689--4.18876063-
FA hydroxy(7:0)-ME513503--4.796719013-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME513528--4.362009107-
FA methyl(14:0)-ME513597-C166653.97981061-
FA methyl(16:1)-ME513632--3.967223497-
FA oxo(16:0)-ME513634--4.002097713-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME513525--7.838918212-
Fructose 6-phosphateFructose 6-phosphateME513619-C0008515.60004623-
Fucoxanthinol 3-myristoleate-ME513833--4.168882412-
Galactonic acidGalactonic acidME513554-C0088013.98711446-
GalactoseGalactoseME513537-C00124_C0098412.36653327-
Gallicynoic acid A-ME513609--4.28446816-
gamma-Glutamylalaninegamma-GlutamylalanineME513576-C03740_C0373814.82561295-
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME513598-C0571111.16545297-
gamma-Glutamylleucinegamma-GlutamylleucineME513620--6.940187892-
Genipinic acid-ME513595--7.733321982-
Glu/Asp/IleGlu-Asp-IleME513714--14.6936655-
Gluconic acidGluconic acidME513553-C00880_C00800_C00770_C15930_C00514_C0025713.07752653-
Glucosamine 6-phosphateGlucosamine 6-phosphateME513614-C0035216.15854655-
Glucose 6-phosphateGlucose 6-phosphateME513618-C0009216.76210927-
Glu/Glu/Ser/Thr-ME513743--15.14926684-
Glu/Gly/ProGlu-Gly-ProME513671--13.90895538-
Glu/Gly/ValGlu-Gly-ValME513674--12.29442501-
Glu/Ile/Ile/Ile/Ile-ME513779--14.38244549-
Glu/Met/ThrGlu-Met-ThrME513716--11.90011845-
Glu/Phe/His/Met/Met-ME513796--14.85871955-
Glu/Ser/ValGlu-Ser-ValME513697--11.06773405-
GlutaminylglycineGln-GlyME513561--11.6180931-
GlutamylalanineGlu-AlaME513575--14.01986473-
GlutamylmethionineGlu-MetME513640--11.89536073-
GlutamylprolineGlu-ProME513599--13.93352548-
GlutamylthreonineGlu-ThrME513605--13.88220885-
GlutamyltyrosineGlu-TyrME513682--12.46481976-
glutathione sulfinate-ME513699--16.71462047-
GlycerolGlycerolME513463-C0011610.35282422-
Glycerol 3-phosphatesn-Glycero-3-phosphateME513522-C00093_C0062314.67639096-
Glycyl-SerineGly-SerME513514--14.17112941-
Gly/Lys/Arg/Arg/Val-ME513781--9.217522345-
Gly/Lys/Lys/Met/Arg-ME513782--14.37119844-
Gossypetin 7-methyl ether 8-acetate-ME513712--16.82423953-
Guanosine 2',3'-cyclic phosphate2',3' cyclic GMPME513703-C0619412.44917687-
guanosine 2'-monophosphate-ME513709--16.37217226-
Hemin-ME513786-C0676712.49095273-
Heptadecanoic acidMargaric acidME513635--3.91734774-
HexanalCaproaldehydeME513467-C023734.302156842-
HexanoylglycineHexanoylglycineME513527--4.892492845-
Hexose phosphateHexose 6-phosphateME513617-C02965_C0296214.8566113-
Hippuric acidHippuric acidME513536-C015867.643730037-
His/His/Arg/Arg/Arg-ME513808--12.04343715-
His/Ile/Ile/Arg/Arg-ME513797--10.28106294-
His/Lys/Asn/Trp/Trp-ME513813--4.001195385-
His/Pro/Ser/Ser-ME513735--13.86486257-
Histidinyl-LeucineHis-LeuME513631-C050107.874898993-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME513523-C0556515.04084162-
Hydrocinnamic acidHydrocinnamic acidME513507-C056294.372958352-
Hydrogen phosphatePhosphoric acidME513466-C0000912.32970757-
HydroxymethylphosphonateHydroxymethylphosphonic acidME513473-C0645514.17496491-
idopyranuronate-ME513550--14.00110468-
Ile/Ala/SerIle-Ala-SerME513652--9.045550052-
Ile/Arg/Trp/Tyr/Tyr-ME513823--13.49785456-
Ile/Ile/Ile/Ile/Asn-ME513776--15.25248707-
Ile/Ile/Ile/Ile/Gln-ME513778--14.97210936-
Ile/Lys/Gln/Tyr-ME513766--15.5920818-
Indoleacrylic acidIndoleacrylic acidME513543--8.816930587-
Inositol cyclic phosphateInositol cyclic phosphateME513594-C0429916.64084264-
Isoleucyl-AlanineIle-AlaME513560--7.85895516-
Isoleucyl-PhenylalanineIle-PheME513641--4.710872605-
Isoleucyl-ThreonineIle-ThrME513588--7.857934302-
Isoleucyl-TryptophanIle-TrpME513690--4.829183325-
Isoleucyl-ValineIle-ValME513586--7.79534613-
Isophosphamide mustard-ME513577--4.199504612-
Isradipine-ME513711--13.87761183-
kauralexin A1-ME513676--3.940187882-
KetoleucineKetoleucineME513486-C002334.847819635-
kifunensine-ME513587--13.78386937-
Lactic acidLactic acidME513462-C00186_C002569.067774177-
Leucyl-LeucineLeu-LeuME513601-C113327.80207258-
LysoPE(18:1)LPE 18:1ME513744--4.620954955-
Malic acidMalic acidME513490-C00497_C00149_C0366815.59969015-
methacrylate-ME513460--4.438075742-
Methyl-5-thio-D-ribose 1-phosphate5-Methylthioribose 1-phosphateME513616-C0418812.46934497-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...-ME513725--4.31809075-
Methylacetoacetic acidMethylacetoacetic acidME513477--4.378012872-
MethyleugenolMethyleugenolME513535-C104544.37527119-
methyl phosphateMethanolphosphateME513692--5.440039797-
methyl pyruvateMethyl pyruvateME513468--4.389385628-
mogroside IE-ME513783--11.29821574-
myo-InositolMyo-inositolME513538-C00137_C06152_C0615317.01621223-
Myristic acidMyristic acidME513584-C064244.008201518-
N-(4-oxoglutaryl)-L-cysteinylglycine-ME513677--11.71850931-
N5-formyl-N5-hydroxy-L-ornithine-ME513529--12.81751954-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME513564-C039559.274234338-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME513600-C012554.837571277-
N-AcetylcystathionineN-AcetylcystathionineME513624--12.25498155-
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucin...-ME513724--13.83742442-
N-Acetyl-D-glucosamine 1,6-bisphosphateN-Acetyl-D-glucosamine 1,6-bisphosphateME513717-C0446116.52645325-
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME513669-C0035714.71749827-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME513568-C03519_C056204.839755588-
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME513545-C0314012.48041759-
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME513569-C037104.447489845-
N-Butyl-beta-carboline-3-carboxylate-ME513630-C138054.340925908-
N-(eicosanoyl)-tetradecasphing-4-enineCer 14:1;O2/20:0ME513762-C001954.27650186-
Neodulin-ME513678--14.67343324-
Neuromedin B (1-3)-ME513673--9.31634306-
N-hydroxy DAP-ME513565--11.75317309-
N-LauroylglycineN-LauroylglycineME513613--4.544468785-
N-LignoceroylsphingosineCer 18:1;O2/24:0ME513785-C001954.335005555-
N-NitrosoprolineN-NitrosoprolineME513498-C1948513.98547505-
N-Succinyl-L-glutamateN2-SuccinylglutamateME513604-C0593113.5839759-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME513686--3.797599977-
O-AcetylserineO-AcetylserineME513504-C0097910.20722351-
octadecenoic acidOctadecenoic acidME513647--3.909008362-
Orotic acidOrotic acidME513510-C002959.67608247-
OrotidineOrotidineME513651-C0110311.73728971-
Oxoglutaric acid2-Oxoglutaric acidME513499-C0002615.0568008-
PA(14:1/20:1)PA 14:1/20:1*ME513790-C004163.776020362-
PA(14:1/22:2)PA 14:1/22:2*ME513798--3.751514845-
PA(16:1/20:1)PA 16:1/20:1*ME513799-C004163.7429296-
Palmitic acidPalmitic acidME513611-C002493.943069735-
Palmitoleic acidPalmitoleic acidME513610-C083623.95974699-
PA(P-42:4)PA P-42:4ME513810--7.814154828-
PC(13:0/18:1)PC 13:0/18:1*ME513801-C001576.697385615-
PC(15:0/18:4)PC 15:0/18:4*ME513804-C001574.021247713-
PC(15:0/20:5)PC 15:0/20:5ME513811-C001573.98456298-
PC(17:0/12:0)PC 17:0/12:0*ME513795-C001574.312909275-
PC(35:6)PC 35:6ME513809--4.313008358-
PC(MonoMe(11,3)/MonoMe(11,3))-ME513835--7.011532395-
P-DPD-ME513570--12.21185292-
PE(16:0/22:4)PE 16:0/22:4ME513812-C003504.039929815-
PE(16:1/20:3)PE 16:1/20:3ME513803-C003505.563362335-
PE(31:4)PE 31:4ME513787--7.883562322-
PE(P-40:5)PE P-40:5ME513816--3.960819457-
PG(16:0/18:1)PG 16:0/18:1ME513807-C138833.65401203-
PG(16:0/18:2)PG 16:0/18:2ME513806--3.646247355-
PG(16:0/22:4)PG 16:0/22:4*ME513822--3.640274062-
PG(16:0/22:5)PG 16:0/22:5*ME513821--3.640262957-
PG(18:0/18:1)PG 18:0/18:1ME513815--3.647146282-
PG(18:0/18:2)PG 18:0/18:2ME513814--3.641131478-
PG(18:0/20:3)PG 18:0/20:3ME513825--3.646304618-
PG(18:0/22:5)PG 18:0/22:5*ME513832--3.645376842-
PG(18:0/22:6)PG 18:0/22:6*ME513831--3.635084237-
PG(29:1)PG 29:1ME513792--11.72098513-
Phe/Lys/Met/Met/Trp-ME513805--3.96073056-
PhenolPhenolME513464-C15584_C001467.314396945-
PhenolsulfonphthaleinPhenolsulfonphthaleinME513707-C126007.840600953-
PhenylacetaldehydePhenylacetaldehydeME513481-C006014.360684088-
Phenyl acetatePhenyl acetateME513495-C00548_C155837.229587902-
Phenylacetic acidPhenylacetic acidME513492-C070867.842769738-
PhenylacetylglycinePhenylacetylglycineME513549-C055984.748804168-
Phenylalanyl-AspartatePhe-AspME513644--10.65321272-
Phenylalanyl-GlycinePhe-GlyME513580--7.858837292-
Phenylalanyl-ThreoninePhe-ThrME513627--7.878784827-
Phe/Phe/Met/Trp/Tyr-ME513820--15.56539911-
phosphinomethylisomalate-ME513571--15.08720929-
phosphinomethylmalate-ME513572--13.45765737-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME513521-C1348215.02934163-
PhytuberinPhytuberinME513659-C097094.013322727-
PI(12:0/18:2)PI 12:0/18:2*ME513817--28.65060618-
PI(16:0/18:1)PI 16:0/18:1ME513834-C13888_C006267.008100892-
PI(32:5)PI 32:5ME513824--28.93626505-
Pilosine-ME513650-C106107.851661145-
PI(O-33:0)PI O-33:0ME513828--15.24239412-
Pipercyclobutanamide A-ME513773--2.660570457-
PIPES-ME513672--14.89913895-
Polystyrene sulfonate-ME513539--3.791466668-
Pro/Val/Val/Tyr-ME513746--13.83745692-
PS(16:0/20:3)PS 16:0/20:3ME513818--3.784621273-
PS(18:0/18:1)PS 18:0/18:1ME513819-C027373.7881265-
PS(18:0/20:4)PS 18:0/20:4ME513829-C027373.745057585-
PS(18:0/22:4)PS 18:0/22:4ME513837--3.747179625-
PS(18:0/22:5)PS 18:0/22:5ME513836-C027373.75575741-
PS(18:1/20:4)PS 18:1/20:4ME513827--3.754062032-
PS(20:3/18:3)PS 20:3/18:3*ME513826--3.76586202-
Quinic acidQuinic acidME513548-C06746_C0029612.14658869-
Rhamnulose-ME513515-C01721_C0086111.10951899-
Ribose 5-phosphateRibose 5-phosphateME513585-C0011715.25536024-
RishitinRishitinME513581-C097154.098637125-
Salidroside4-Hydroxyphenyl-2-ethylglucopyranosideME513667-C060467.854963525-
ScytaloneScytaloneME513551-C007797.786972-
Sebacic acidSebacic acidME513559-C082774.473690912-
SecobarbitalSecobarbitalME513591--4.83354543-
Sedoheptulose 7-phosphate(2-)Sedoheptulose 7-phosphateME513653-C0538215.93802598-
selenium dioxide-ME513472--12.3139992-
SeryltyrosineSer-TyrME513629--10.49302458-
sodium dodecyl sulfate-ME513628--3.78645757-
Sorbitol-6-phosphatePseudouridineME513622-C00644_C02810_C0109614.89012508-
Sphenostylin D-ME513726--4.441183345-
Sphinganine 1-phosphateSphinganine 1-phosphateME513718-C011204.855220827-
Stearic acidStearic acidME513649-C015303.900726527-
Succinic acidSuccinic acidME513480-C0004214.62647654-
SulcatoneSulcatoneME513484-C072875.337443867-
Sulfate-ME513465-C0005915.80688939-
SulfoacetateSulfoacetic acidME513497-C1417917.40053037-
Sulfobutanedioic acidSulfobutanedioic acidME513556--20.54292427-
TarennosideTarennosideME513708-C1165416.5034157-
Tetracosanoic acidLignoceric acidME513710-C083203.813603753-
tetrahydrogeranylgeranyl bacteriopheophytin-ME513840--3.771080525-
Tridecanoic acidTridecylic acidME513573-C13795_C170764.053356795-
TrigonellineTrigonellineME513496-C010047.853941668-
Trp/Gly/Gly/Gly-ME513713--16.47751333-
Tuberculostearic acidTuberculostearic acidME513663-C167943.871658313-
UDP-L-Ara4FNUDP-4-deoxy-4-formamido-beta-L-arabinoseME513769-C1615415.76452739-
Undecanedioic acidUndecanedioic acidME513574--4.417902305-
Undecanoic acidUndecylic acidME513542-C177154.183852293-
UracilUracilME513474-C001069.902006715-
Ureidoisobutyric acidUreidoisobutyric acidME513502-C0510011.85388334-
Ureidopropionic acidUreidopropionic acidME513487-C0264212.49938114-
Uric acidUric acidME513520-C0036612.14711968-
Uridine 5'-diphosphateUDPME513728-C0001516.03858694-
Uridine diphosphate glucoseUDP-glucoseME513770-C00029_C0005215.92449443-
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME513780-C00203_C01170_C0004314.71493694-
Valeric acidValeric acidME513471-C008037.849275023-
Vinaginsenoside R12-ME513789--10.92056236-


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