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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
1,3,5-trimethoxybenzene1,3,5-TrimethoxybenzeneME375171-D017924.579945577-
1-4-beta-D-Glucan1,4-beta-D-GlucanME375471-C007603.561167789-
14-DihydroxycornestinCornexistinME375383-C084833.80880444-
15-Keto-prostaglandinE215-Keto-PGE2ME375415-C047073.92670222-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME375317-C154978.644892968-
1-Caffeoyl-4-deoxyquinic acid-ME375407-C1043214.65019167-
1-methylguanosine1-MethylguanosineME375372--9.519191488-
1-Methylhypoxanthine1-MethylhypoxanthineME375141--8.193941667-
1-Pyrroline-2-carboxylate1-Pyrroline-2-carboxylic acidME375062-C0356414.066521-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME375322-C0513117.47787882-
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate-ME375156-C046877.439456618-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME375091-C0045012.77877001-
2,3-DimethylmaleateDimethyl maleateME375120-C0092213.47555325-
2-acetamidoglucal-ME375243--12.57941888-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME375224--13.1166795-
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropt...-ME375277--10.11086799-
2 -(Butylamido)-4-hydroxybutanoic acid-ME375221-C118437.461816678-
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanon...-ME375170--4.16960222-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME375347-C033433.764584418-
2-HexenoylcarnitineCAR 6:1ME375319--4.087187788-
2-hydroxypurine-ME375108--7.880502786-
2-MethylbutyroylcarnitineCAR 4:0;2MeME375307--7.474534571-
2-nitro-1-propanol-ME375058--10.86072235-
2'-O-Methyladenosine2'-O-MethyladenosineME375350-C0477914.58322644-
2-O-Methylcytosine2-O-MethylcytosineME375087--7.613062134-
2-Oxo-4-hydroxy-5-aminovalerate-ME375136-C059419.750146688-
2-Oxopentanoic acid-ME375069-C062554.697269999-
2-Phenyl-1,3-propanediol monocarbamate-ME375229-C165865.23869767-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...-ME375272--11.58642222-
3,4-Dehydrothiomorpholine-3-carboxylate-ME375123-C044457.645034705-
3',5'-Cyclic AMP3',5' cyclic AMPME375398-C005759.381386227-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME375282--4.126758881-
3-Aminobenzenesulfonate-ME375182-C063347.367491659-
3-amino-isobutanoic acid3-Aminoisobutanoic acidME375057--4.913626675-
3-Butylidene-7-hydroxyphthalidePhthalideME375246-C099213.836067776-
3-Butynoate3-Butynoic acidME375045-C0614413.43273817-
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME375144-C0063211.99557504-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME375250-C0125920.04951392-
3-Ketosphingosine3-KetosphingosineME375374-C061213.879101181-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME375071-C001415.375936686-
3-Methyleneoxindole3-MethyleneoxindoleME375124-C027969.586634572-
3-Methylguanine3-MethylguanineME375167-C022309.356516605-
3-nitro-2-butanol-ME375078--9.475205553-
3-nitro-2-pentanol-ME375105--7.554202203-
3-Oxo-delta4-steroidAndrost-4-en-3-oneME375341-C006194.004293365-
3-oxopimelic acid-ME375186--4.224621107-
3-Oxosteroid-ME375342-C018764.066238912-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME375149-C0116215.52038554-
(3S,5S)-carbapenam-ME375145--9.078596351-
3-UreidoisobutyrateUreidoisobutyric acidME375130-C051007.613017782-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol-ME375114-C1369310.41295478-
4-fluorotryptophan-ME375276--10.53813341-
4-Guanidinobutanoate4-Guanidinobutanoic acidME375127-C0103514.66574015-
4-Hydroxycinnamyl aldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME375138-C056084.104676666-
4-Imidazolone-5-acetate-ME375116-C0513313.50775409-
4-Methylene-L-glutamine4-Methylene-glutamineME375153-C011099.043693305-
4-Methylumbelliferone glucuronide4-Methylumbelliferyl glucuronideME375417-C1158413.55745002-
4-Propylphenol4-PropylphenolME375110-C143114.133003354-
4-ToluenesulfonamideToluene-4-sulfonamideME375179-C1441210.11240011-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME375119-C0411412.8434533-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME375128-C0118112.67010559-
5,6-DihydrothymineDihydrothymineME375093-C0090614.19629666-
5,6-DihydrouracilDihydrouracilME375065-C0042912.4430365-
5-Acetamidopentanoate5-Acetamidovaleric acidME375154-C030878.938116726-
5-Guanidino-2-oxopentanoate2-OxoarginineME375184-C0377113.987559-
5-Hydroxytryptophol5-HydroxytryptopholME375196--11.03163189-
5-Methyltetrahydropteroylpentaglutamate-ME375460--20.09322238-
5'-Methylthioadenosine5'-MethylthioadenosineME375371-C001706.009649997-
5'-methylthioformycin-ME375370--7.455627738-
5-O-Methylembelin5-O-MethylembelinME375385-C103733.741424442-
5-OxopentanoateGlutarate semialdehydeME375070-C032735.913207906-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME375367-C048753.853114421-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME375213-C055487.878128832-
6-(Allylthio)purine-ME375225-C153488.342344411-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME375125-C032398.8560102-
6-Hydroxytremetone-ME375269-C087443.895423364-
6-isobutyl-4-hydroxy-2-pyrone-ME375172--7.320614421-
6-Keto-decanoylcarnitineCAR 10:0;6oxoME375399--4.531434486-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...-ME375281-C0648611.41437073-
7,8-diketopelargonate-ME375211--4.180642175-
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoateVanylglycolME375210-C045354.57072781-
7-Methylguanine7-MethylguanineME375166-C0224212.29035136-
8-Oxocoformycin-ME375352-C022438.195005629-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME375046-C0265914.17277832-
Acetyl-CoAAcetyl-CoAME375484-C0002411.98739039-
Acetylpseudotropine-ME375209-C124537.455736593-
acidomycin-ME375265--4.464258342-
a Cysteine adduct-ME375223--15.53091541-
AdenineAdenineME375106-C001479.125912069-
AdenosineAdenosineME375336-C002128.554798855-
Ala-Ala-AlaAla-Ala-AlaME375291--11.63363054-
Ala-Ala-Ala-Asp-ME375410--14.28224453-
Ala-Ala-Ala-Ser-ME375391--17.48497213-
Ala-Ala-Asp-Cys-ME375426--17.09663641-
Ala-Asn-SerAla-Asn-SerME375364--16.6025667-
Ala-Asp-CysAla-Asp-CysME375381--16.82515889-
Ala-Asp-GlyAla-Asp-GlyME375329--15.65700845-
Ala-Asp-Pro-Pro-ME375432--12.98983959-
Ala-GlyAla-GlyME375132--15.32401001-
Ala-Gly-ProAla-Gly-ProME375303--10.26043472-
Ala-Leu-Met-Ser-ME375437--8.822794041-
Ala-Leu-Thr-Ala-ME375214--18.27794427-
Ala-Lys-Asn-Pro-ME375441--11.25324164-
Ala-Lys-Asp-Pro-ME375442--13.62084868-
Ala-Met-Thr-Pro-ME375435--8.661695862-
Ala-ProAla-ProME375212--11.822001-
Ala-Thr-Ala-Ala-ME375403--12.36967095-
AlliinAlliinME375195-C082658.204255591-
allopurinolAllopurinolME375107-D0022410.55903444-
allylcysteineS-AllylcysteineME375159-C167597.444227727-
alpha-aminopimelate-ME375190--8.972439982-
AMCCN-Acetyl-S-(n-methylcarbamoyl)cysteineME375271-C114909.731761169-
AMPAMPME375413-C0002013.559076-
Anthranilate2-Aminobenzoic acidME375111-C0010811.22855103-
Arbutin 6-phosphate-ME375416-C0618715.48110916-
ArecolineArecolineME375150-C101297.891403368-
Arg-Asp-Asp-Gly-ME375450--17.72828776-
ArgininicacidArgininic acidME375192--15.02956427-
Asn-Cys-CysAsn-Cys-CysME375406--11.13881243-
Asn-Glu-Ile-Pro-ME375453--13.50670132-
Asn-Gly-ProAsn-Gly-ProME375357--12.80540619-
Asn-Leu-Asn-Tyr-ME375470--15.586989-
Asn-Lys-Cys-Cys-ME375451--13.08682584-
Asn-Val-Asn-Ser-ME375443--8.75193339-
Asp-ArgAsp-ArgME375362--17.79343041-
Aspartyl-L-prolineAsp-ProME375290--15.5359013-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME375440--16.93600006-
Asp-Gln-Gln-Pro-ME375458--21.38154161-
Asp-Gly-ArgAsp-Gly-ArgME375411--17.38000014-
AspidinolAspidinolME375278-C106734.127791121-
Asp-Met-Asp-Gly-ME375445--15.80163761-
Asp-Thr-Cys-Cys-ME375447--16.47900446-
Asp-Thr-His-His-ME375466--13.4824501-
Asp-Thr-Trp-Pro-ME375467--13.85955692-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate-ME375256-C045613.825969984-
beta-D-DigitalopyranoseDigitaloseME375198-C082357.437375522-
BetaineBetaineME375075-C0071910.79448669-
Betaine aldehydeBetaine aldehydeME375054-C0057627.75237793-
BiotinBiotinME375304-C001208.560797119-
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME375431-C036903.658897773-
CaffeineCaffeineME375227-C074814.828216722-
CaproylcholineCaproylcholineME375235--7.770865512-
CapryloylglycineCapryloylglycineME375234--4.577898899-
CAPS-ME375275--8.726067708-
carbidopa-ME375279--8.029691611-
CarnosineCarnosineME375280-C0038615.46343189-
CarpacinCarpacinME375226-C104354.129800025-
CDP-cholineCDP-cholineME375461-C0030714.99261814-
CHAPSCHAPSME375473-C113218.066832309-
CHES-ME375254--11.4333546-
Choline phosphateCholine phosphateME375206-C0058814.65789673-
CicutoxinCicutoxinME375323-C084023.70622779-
CMPCMPME375395-C0005516.0951472-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME375454-C0567414.02570843-
ConvicineConvicineME375380-C0843018.7676668-
CoprineCoprineME375238-C082719.729145728-
CreatineCreatineME375099-C0030014.28296332-
CreatinineCreatinineME375064-C007919.361862115-
CTAB-ME375354-C112757.516019004-
CycasinCycasinME375312-C0141811.43955002-
Cyclohexane-1,3-dioneCyclohexane-1,3-dioneME375061-C010664.441533339-
Cys-Cys-GlyCys-Cys-GlyME375349--15.43198751-
Cys-GlyCys-GlyME375197-C0141914.33358089-
Cys-HisCys-HisME375321--13.57958874-
Cys-Leu-Cys-Pro-ME375444--10.61401672-
Cys-Lys-Cys-His-ME375462--20.09873606-
Cys-Lys-Phe-Trp-ME375472--23.85022193-
CysteineMercaptoethanol disulfide-ME375230--11.49538752-
DaminozideDaminozideME375157-C109967.469716687-
dAMPdAMPME375401-C0036012.56911248-
D-ApiitolApiitolME375109-C015699.95985338-
DelcosineDelcosineME375449-C086763.691124454-
DeoxycytidineDeoxycytidineME375283-C008819.821994273-
DethiobiotinDethiobiotinME375262-C019098.723384458-
D-Glucono-1,5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME375320-C0123617.91920802-
D-GlutamateD-Glutamic acidME375134-C0021716.99484443-
D-GlutamineD-GlutamineME375129-C0081913.1652044-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME375178-C0011816.29247903-
D-HistidineD-HistidineME375147-C0641919.13148858-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME375236-C040674.435361125-
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate-ME375248-C045864.150271098-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME375092-C011254.5614367-
dihydroartemisinic acid hydroperoxide-ME375338--3.882351125-
Diisononyl phthalateDiisononyl phthalateME375436-C152213.679994439-
Dimethyl citraconate-ME375152-C051264.303442162-
Dinor-PGE2Dinor-PGE2ME375396--3.834052209-
DL-Methionine sulfoneMethionine sulfoneME375201--11.99669588-
D,L-α-methylphosphinothricin-ME375228--13.11710002-
DMSP-amine-ME375079--12.39106394-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME375301-C0429916.13303053-
D-SorbitolSorbitolME375203-C0079413.64636325-
D-Thevetose-ME375199-C162875.949350009-
Elaeokanine CElaeokanine CME375261-C105927.322330051-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME375344--17.77826945-
E-pyridine-3-aldoxime-ME375082--6.07853892-
(-)-erythro-(2R,3R)-dihydroxybutylamide-ME375076-C111087.471052806-
EsculinEsculinME375408-C0926415.54686534-
EthylphosphateEthylphosphateME375088--9.504375034-
Eugenol methyl etherMethyleugenolME375200-C104543.981112247-
[FA (18:1)] 9Z-octadecenamideOleamideME375351--3.916569994-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid4,7-Dioxo-octanoic acidME375180--4.551195543-
[FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadien...13S-HODEME375369-C147623.717260013-
[FA methoxy,hydroxy(18:2)] octadecadienoic acidOctadecadienoic acidME375397--3.805827789-
[FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-fo...Butyric acidME375314--3.808882192-
FA oxo(19:0)-ME375388--3.746481103-
FA oxo(7:0)-ME375122--4.111524421-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME375126-C0365612.68572774-
FarrerolFarrerolME375377-C097347.455631892-
FolateFolic acidME375448-C0050416.80055567-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME375233-C061148.84858195-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME375263-C1570011.90630595-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME375343-C0528315.11183336-
Gammaglutamylornithinegamma-GlutamylornithineME375330--17.63640289-
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME375268-C0373814.36119164-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME375311-C0066914.28081394-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME375392-C0454412.95606537-
Gln-ProGln-ProME375302--13.01940418-
Glu-Ala-ArgGlu-Ala-ArgME375423--13.5642028-
Glu-ArgGlu-ArgME375379--17.8030972-
Glu-Arg-ProGlu-Arg-ProME375433--13.33949161-
Glu-Cys-GlyGlu-Cys-GlyME375382--15.58331231-
Glu-GluGlu-GluME375345-C0142516.80729175-
Glu-Lys-Asp-Pro-ME375459--13.30717358-
Glu-MetGlu-MetME375346--8.867999988-
Glu-Met-SerGlu-Met-SerME375420--12.09480133-
Glu-Thr-ThrGlu-Thr-ThrME375414--17.02681953-
Glycyl-leucineGly-LeuME375217-C0215512.26996901-
GlycylprolineGly-ProME375181--12.97962392-
GuanidinoacetateGuanidoacetic acidME375072-C0058115.59542887-
GuanineGuanineME375142-C002429.053230873-
HEPES-ME375298--10.71424401-
HexanoylcarnitineCAR 6:0ME375325--4.078128899-
HexylamineHexylamineME375055-C0830614.94517239-
histidine methyl ester-ME375176--12.89624439-
HomoarginineHomoarginineME375219-C0192422.29261108-
homodihydrocapsaicin-ME375393--3.865197771-
Homostachydrine(S)-HomostachydrineME375151-C082839.445258925-
HypotaurineHypotaurineME375060-C0051914.88842909-
Ibuprofenacylglucuronide-ME375427--5.051637845-
Ile-AlaIle-AlaME375239--7.459430525-
Ile-ArgIle-ArgME375358--12.01399036-
Ile-AsnIle-AsnME375305--9.779355537-
Ile-Ile-ProIle-Ile-ProME375409--12.36763475-
Ile-LysIle-LysME375326--20.02373606-
Ile-Lys-ProIle-Lys-ProME375419--20.44234704-
Ile-Lys-SerIle-Lys-SerME375412--17.178125-
Ile-ThrIle-ThrME375294--7.523925018-
Imidazole-4-acetateImidazoleacetic acidME375090-C0283511.85232374-
indigo-ME375331--5.030674405-
IndoleIndoleME375073-C004639.766756948-
IndolelactateIndolelactic acidME375251-C020437.996161058-
InosineInosineME375337-C0029410.52291667-
Isonicotineamide-ME375080-C0242113.70715671-
IsovalerylcarnitineCAR 4:0;3MeME375306--4.361217787-
(-)-Jasmonic acidJasmonic acidME375259-C084914.171478882-
L-AdrenalineEpinephrineME375208-C007887.538138072-
L-AlanineAlanineME375050-C0004114.57333666-
L-ArginineArginineME375188-C0006223.77555528-
L-AsparagineAsparagineME375102-C0015215.33448771-
L-beta-aspartyl-L-leucine-ME375309--12.6113151-
L-CarnitineCarnitineME375161-C0048712.7290899-
L-CitrullineCitrullineME375193-C0032715.59760213-
L-CystineCystineME375299-C0049116.27363699-
Leu-AlaLeu-AlaME375241--11.4175372-
Leu-LysLeu-LysME375327--12.01966506-
Leu-ProLeu-ProME375285--7.607132161-
L-FormylkynurenineN-Formyl-L-kynurenineME375295-C027009.592067973-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME375328--10.31181522-
L-GlutamateGlutamic acidME375135-C0002514.84592448-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME375098-C011658.92996894-
L-GlutamineGlutamineME375131-C0006414.98748216-
L-HistidineHistidineME375148-C0013514.39043337-
LinoleamideLinoleamideME375348--3.951853349-
L-IsoleucineIsoleucineME375101-C0040710.86429003-
L-isoleucyl-L-prolineIle-ProME375286--9.323722621-
L-KynurenineKynurenineME375255-C0032810.42062649-
L-LathyrineLathyrineME375204-C0829011.04949451-
L-LeucineLeucineME375100-C0012310.3359944-
L-LysineLysineME375133-C0004722.42683336-
L-MethionineMethionineME375139-C0007311.25988049-
L-Methionine S-oxideMethionine sulfoxideME375165-C0298913.53802897-
L-NormetanephrineNormetanephrineME375207-C055898.46270712-
L-OrnithineOrnithineME375104-C0007721.81328898-
L-PhenylalaninePhenylalanineME375168-C000799.783779975-
L-ProlineProlineME375067-C0014812.37381219-
L-Pyrrolysine-ME375315-C161387.251297709-
L-SerineSerineME375059-C0006515.69279548-
L-ThreonineThreonineME375077-C0018814.59837335-
L-TryptophanTryptophanME375247-C0007811.37126545-
L-TyrosineTyrosineME375202-C0008212.85203342-
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D...-ME375486-C0490012.00457221-
L-ValineValineME375074-C0018312.09412998-
Lys-Ala-ProLys-Ala-ProME375389--22.39138862-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...LPC 14:0ME375452-C042304.390986082-
LysoPC(16:0)LPC 16:0ME375464-C042304.270967865-
LysoPC(16:1(9Z))LPC 16:1(9Z)ME375463-C042304.27254164-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME375457-C139034.301229448-
LysoPC(18:1)LPC 18:1ME375468--4.181914109-
LysoPC(18:1(11Z))LPC 18:1(11Z)*ME375469-C042307.313981459-
Lys-ValLys-ValME375308--21.34422234-
MaleamateMaleamateME375066-C0159615.22777218-
MaleimideMaleimideME375051-C072728.482051341-
MelochinoneMelochinoneME375402-C107274.56261389-
meso-2,6-Diaminoheptanedioate-ME375222-C0068022.37043067-
MethacholineMethacholineME375155-C0747112.65515116-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...-ME375232-C1224510.12142893-
Methyl acetyl ricinoleate-ME375418-C122803.698153314-
Methyl cinnamateMethyl cinnamateME375162-C063584.019456685-
MethylenediureaMethylenediureaME375103-C0638111.34144565-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME375086-C058277.468922221-
Methylimidazoleacetic acidMethylimidazoleacetic acidME375113-C058289.389235636-
Methylitaconate-ME375121-C0229514.24949098-
Met-Met-MetMet-Met-MetME375434--14.1216529-
MG(0:0/16:0/0:0)MG 0:0/16:0/0:0ME375400--3.861226671-
MillettoneMillettoneME375425-C105064.499256897-
ML-236CML 236CME375365-C140433.847104441-
Montanin AMontanin AME375387-C091363.844081099-
MOPS-ME375257--7.50223028-
MukaadialMukaadialME375333-C097023.982148878-
MyristoylglycineN-MyristoylglycineME375356--3.846097802-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME375143-C058427.853006166-
N1,N8-diacetylspermidineN1,N8-DiacetylspermidineME375288--14.66052229-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME375244-C1298611.44500543-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME375310-C0413713.5470538-
N2-N2-DimethylguanosineN2,N2-DimethylguanosineME375386--8.168134774-
N3-hydroxyethylcytosine-ME375146--19.87933336-
N-(3-oxooctanoyl)-L-homoserine-ME375324--4.119652167-
N4-AcetylaminobutanalN4-AcetylaminobutanalME375094-C059366.220377808-
N4-AcetylcytidineN4-AcetylcytidineME375355--7.914480548-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME375249-C0421017.54010583-
N6-Acetyl-L-lysineN6-AcetyllysineME375218-C027278.200470005-
N6-Methyl-L-lysineN(6)-MethyllysineME375158-C0272821.9702823-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME375220-C0379321.13997803-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME375252-C1548011.72237888-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME375296-C0113315.80728895-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME375274-C0014011.38562222-
N-AcetylglutamineN-AcetylglutamineME375216--10.4346203-
N-AcetyllactosamineN-AcetyllactosamineME375428-C0061113.17491803-
N-Acetyl-L-citrullineN-AcetylcitrullineME375266-C1553213.04309364-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME375183-C012509.16271776-
N-Acetyl-L-histidineN-AcetylhistidineME375231-C029978.611347283-
N-Acetyl-L-leucineN-AcetylleucineME375185-C027107.932228902-
NAD+NAD+ME375474-C0000313.73316939-
Nalpha-MethylhistidineN-MethylhistidineME375175-C032987.481452857-
N(alpha)-t-Butoxycarbonyl-L-leucine-ME375292-C043014.585117832-
N-Carboxyethyl-g-aminobutyricacidN-Carboxyethyl-gamma-aminobutyric acidME375191--13.43947788-
N-DecanoylglycineN-DecanoylglycineME375287--7.319178908-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME375189-C0554521.00148824-
Neuraminic acidNeuraminic acidME375335-C0646916.64581672-
N-Formimino-L-glutamateFormiminoglutamic acidME375187-C0043911.66459225-
N-Glycolyl-D-glucosamineN-Glycolyl-D-glucosamineME375297-C0314618.65020837-
NG,NG-Dimethyl-L-arginineDimethylarginineME375242-C0362621.04224984-
N-HeptanoylglycineN-HeptanoylglycineME375215--4.599710083-
N-hydroxyisoleucineN-hydroxyisoleucineME375137--11.82233114-
NicotinateNicotinic acidME375083-C002537.732696669-
NicotineNicotineME375163-C007455.253432109-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME375053-C111184.742624376-
NMNH-ME375404--16.02908876-
N,N-dihydroxyisoleucine-ME375164--8.269102207-
N,N-dihydroxyvaline-ME375140--9.755646634-
N,N-DimethylglycineDimethylglycineME375056-C0102613.24201002-
N,N'-DimethylureaN,N-DimethylureaME375048-C1636413.08710876-
N(pi)-Methyl-L-histidine3-MethylhistidineME375177-C0115212.06288486-
N-α-acetyl lysine methyl ester-ME375240--11.85466792-
O-AcetylcarnitineCAR 2:0ME375245-C0257110.25510003-
O-Acetyl-L-homoserineO-Acetyl-homoserineME375160-C0107710.67423001-
O-ButanoylcarnitineCAR 4:0ME375293-C028628.077142373-
OctadecanamideStearamideME375353-C138463.885370009-
OctylamineOctylamineME375096-C017409.020734456-
o-Methoxyphenol-ME375085-C015024.707338901-
OphthalmicacidOphthalmic acidME375361--13.40338609-
O-PropanoylcarnitineCAR 3:0ME375267-C030179.048679824-
OrthophosphatePhosphoric acidME375052-C0000915.91985248-
PalmiticamidePalmitamideME375316--3.942797784-
PantothenatePantothenic acidME375270-C008648.346988864-
PA(P-42:2)PA P-42:2ME375482--3.748830583-
[PC(12:4)] 1-hexyl-2-hexyl-sn-glycero-3-phosphocho...-ME375439--4.554961141-
[PC(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphochol...LPC 16:0ME375465-C042307.303348584-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPC P-16:0 or LPC O-16:1ME375455-C042304.230449973-
PC(32:1)PC 32:1ME375479-C001573.716104147-
PC(34:2)PC 34:2ME375481--3.708469454-
PC(36:2)PC 36:2ME375483--3.682086097-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine-ME375375--10.24585139-
[PC methyl(15:2)] 1-pentadecyl-2-methyl-sn-glycero...-ME375456--7.399110413-
PC(P-34:0)PC P-34:0ME375480--3.713572205-
PE(P-36:4)PE P-36:4ME375477-C003503.646169968-
PhosphocreatinePhosphocreatineME375260-C0230515.09412214-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME375173-C1348213.92545276-
PhosphonoacetaldehydePhosphonoacetaldehydeME375084-C0316713.87585754-
PicolinamidePicolinamideME375081-C019507.478190036-
PiperidinePiperidineME375047-C0174614.49449782-
Precocene 2Precocene IIME375273-C090183.839045563-
[PR] IridotrialIridotrialME375205-C060704.477718947-
Proclavaminic acidProclavaminic acidME375237-C0665813.39951104-
PsicofuraninAngustmycin CME375373-C053429.122195774-
psicoselysinePsicosyllysineME375384--20.78304172-
PyridoxalPyridoxalME375169-C002507.879215283-
PyridoxinePyridoxineME375174-C003147.764892869-
RapanoneRapanoneME375394-C103993.753492211-
RiboflavinRiboflavinME375424-C002558.036040285-
Riboflavin cyclic-4',5'-phosphate-ME375446-C1607111.22943734-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME375063-C039129.480213352-
S-(2-Hydroxyethyl)-N-acetyl-L-cysteineN-Acetyl-S- (2-hydroxyethyl)-cysteineME375253-C148767.571704144-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME375430-C0002113.04656796-
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide-ME375194-C082958.777029165-
Sinapyl alcoholSinapyl alcoholME375258-C023254.26035336-
SlaframineSlaframineME375300-C061859.182609931-
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME375485-C005503.808030574-
SM(d32:1)SM 32:1;O2ME375475--3.965279155-
SM(d34:1)SM 34:1;O2ME375476--3.934391041-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME375318-C0067013.8420733-
Sojagol-ME375405-C105294.697444534-
[SP (14:0)] 1-deoxy-tetradecasphinganineXestoaminol CME375289--4.392074415-
[SP (3:0)] sphinga-4E,8E,10E-trienine(4E,8E,10E-18:3;O2) SphingosineME375368--3.946824443-
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol-ME375378--7.51312222-
[SP hydrox] 4-hydroxysphinganinePhytosphingosineME375390-C121447.552368037-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...-ME375359--3.886302219-
Spinosyn ASpinosyn AME375478-C110543.537824453-
[SP] PramanicinPramanicinME375422--3.842081095-
[SP] Sphing-4-enineSphingosineME375376-C003194.579385613-
[ST (2:0)] 5alpha-androstane-3,17-dioneAndrostanedioneME375360-C006744.025566678-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME375421--4.746463369-
StachydrineStachydrineME375118-C1017210.19931437-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-oneAndrosteroneME375366-C005233.869283295-
Tetraethylammonium-ME375095-C0751214.79715122-
ThiaminThiamineME375332-C0037815.18730977-
Thiamin diphosphateThiamine diphosphateME375438-C0006814.11000426-
Thr-Thr-TyrThr-Thr-TyrME375429--9.979600109-
Traumatic acidTraumatic acidME375284-C163084.183761105-
Triacetate lactone-ME375089-C0275216.86641016-
Tributyl phosphateTributyl phosphateME375334-C144393.830982208-
TrimethylaminoacetoneTrimethylaminoacetoneME375068--27.85067776-
tropinePseudotropineME375115-C0072927.61797784-
ubiquinol-1-ME375313--3.841055552-
UndecanoylcholineUndecanoylcholineME375339--4.290231171-
UrethaneEthyl carbamateME375049-C015378.542588764-
UrocanateUrocanic acidME375112-C0078510.86811103-
Val-ValVal-ValME375264--12.74958333-
Vincristine-ME375487-C072044.954369701-
VinylacetylglycineVinylacetylglycineME375117--9.477400174-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME375340--16.24476666-
γ-glutamyl-S-t-propenylcysteine-ME375363--11.32039583-
ε-aminocaproamideN-AcetylputrescineME375097--7.483467814-


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
10-hydroxygeraniol-ME375623-C176214.00795556-
10-oxogeranial-ME375614-C176224.07264779-
(-)-12-hydroxy-9,10-dihydrojasmonic acid-ME375738--7.399106649-
13,14-Dihydro-15-oxo-lipoxin A4-ME375855--7.463343048-
1-(3,4-dimethoxylphenyl)ethane-1,2-diol-ME375690-C166444.284796668-
1,9S,11R,15S-tetrahydroxy-13E-prostaene-ME375850--3.554448869-
1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucop...-ME375792--4.587844442-
1-O-Methyl-myo-inositol-ME375685-C0365913.33015015-
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate-ME375595-C0467010.78569221-
1-thio-β-D-glucose-ME375687--18.62632156-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME375534-C0045019.60697808-
2',3'-Cyclic CMP2',3' cyclic CMPME375823-C0235412.65455975-
2',3'-Cyclic UMP2',3' cyclic UMPME375824-C0235510.6880348-
2,5-Dioxopentanoate-ME375537-C0043312.01583333-
2-6-10-Trimethylundecanoicacid-ME375739--7.345285509-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME375805-C0452113.47935545-
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME375783-C1154414.96888448-
2-amino-4-oxo-4-α-hydroxy-6-(erythro-1',2',3'-tri...-ME375836--14.95068803-
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquin...-ME375801-C0525311.32172879-
2-C-Methyl-D-erythritol 4-phosphate-ME375719-C1143414.31385469-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME375804-C0458012.84061254-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME375861--7.431484773-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME375512-C0059613.43539001-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME375533-C051237.472607761-
2-HydroxymalonateHydroxypropanedioic acidME375524-C0228717.56652396-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME375723-C0469020.3331665-
2-IsopropylmaleateIsopropylmaleateME375596-C026317.456223314-
2-Methylcitrate2-Methylcitric acidME375705-C0222517.78729757-
2-Octenedioicacid2-Octenedioic acidME375627--10.91965983-
2-oxobut-3-enanoate-ME375496--7.465409953-
2-Oxobutanoate3-Methyl pyruvic acidME375498-C0010914.35461222-
2-Oxoglutaramate2-Keto-glutaramic acidME375562-C009408.691690979-
2-Oxoglutarate2-Oxoglutaric acidME375566-C0002615.92678012-
2-oxosuberate-ME375667-C165897.463468967-
(2S)-2-Isopropyl-3-oxosuccinate2-Isopropyl-3-oxosuccinateME375636-C042367.469525553-
2-sinapoyloxy-3-butenylglucosinolate-ME375932--17.72005598-
2-(sulfomethyl)thiazolidine-4-carboxylate-ME375736--15.54740272-
3,4-dihydroxybenzylamine3,4-DihydroxybenzylamineME375553--7.796222221-
3,4-Dihydroxyphenylacetaldehyde3,4-DihydroxyphenylacetaldehydeME375579-C040437.456265598-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME375658-C036729.187224906-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME375655-C011798.153884676-
3-amino-isobutanoic acid3-Aminoisobutanoic acidME375502--4.495983276-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME375750--4.150946655-
3-Dehydroquinate3-DehydroquinateME375671-C0094411.10217882-
3-Dehydroxycarnitine3-DehydroxycarnitineME375565-C055439.220641666-
3-deoxy-D-galactose3-DeoxygalactoseME375613--10.93684582-
3-Deoxy-D-glycero-D-galacto-2-nonulosonicacid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME375784--13.69011671-
3-Dimethylallyl-4-hydroxymandelic acid-ME375746-C124574.442075534-
3-Ethylmalate-ME375607-C0198913.36646227-
3-Hydroxydodecanedioicacid3-Hydroxy-dodecanedioic acidME375761--4.293950009-
3-Hydroxyisoheptanoicacid3-Hydroxyisoheptanoic acidME375568--7.462385559-
3-Isopropylcatechol3-IsopropylcatecholME375581-C010143.939589979-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME375515-C001417.397078824-
3-Methylbutanoic acidIsovaleric acidME375500-C082627.427813348-
3-Oxododecanoic acid3-Oxododecanoic acidME375715-C023673.966501126-
3-OxopropanoateMalonic semialdehydeME375489-C002229.852870009-
3-Phospho-D-glycerate3-Phosphoglyceric acidME375661-C0019717.15695234-
3-Phosphonopyruvate-ME375616-C0279812.91971047-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME375589-C0116212.58718011-
3-sulfopropanoate-ME375582--16.96351115-
4-(beta-D-Glucosyloxy)benzoate-ME375814-C0399310.5469242-
4-Heptyloxyphenol4-HeptyloxyphenolME375707-C142363.893934445-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME375529-C006335.984584486-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME375516-C029487.343471103-
4-Hydroxyphenylglyoxylate-ME375610-C0359016.71870341-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME375592-C036808.370948622-
4-Methyl-2-oxopentanoateKetoleucineME375539-C002334.547529975-
4-methylthiobutanaldoxime4-MethylthiobutanaldoximeME375546-C1724110.29364878-
4-Nitroaniline4-NitroanilineME375552-C021267.564243368-
4-oxo-4-(3-pyridyl)-butanoate-ME375652--8.314027744-
4-Oxoglutaramate4-Oxoglutaramic acidME375563-C0557210.72750332-
5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyi...-ME375863--7.463451131-
5-6-Dihydrouridine5,6-DihydrouridineME375760--9.832509698-
5-Acetamidopentanoate5-Acetamidovaleric acidME375600-C030877.460341119-
5-Dehydro-4-deoxy-D-glucarate-ME375679-C0067920.29320001-
5-Hydroxyconiferaldehyde5-HydroxyconiferaldehydeME375684-C122044.529854431-
5-Hydroxyferulate-ME375709-C056197.458020201-
5-Hydroxymethyldeoxycytidylate-ME375847-C0399711.32711529-
5-Hydroxypentanoate5-Hydroxyvaleric acidME375523-C028047.464398872-
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME375765-C0584415.59208043-
5-OxopentanoateGlutarate semialdehydeME375514-C032738.55927341-
5-OxoprolinePyroglutamic acidME375536-C0187910.25915561-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME375564-C032397.479976637-
6-Methoxytaxifolin6-MethoxytaxifolinME375844-C097709.388675759-
[6]-Paradol1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME375794-C104823.710728895-
6-Phospho-D-gluconate6-Phosphogluconic acidME375790-C0034517.93166673-
(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide...-ME375944-C0489917.63706665-
7,8-diketopelargonate-ME375663--4.527834405-
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzop...-ME375829-C150518.432618205-
8-(3,3-Dimethylallyl)-3-methylgalangin-ME375856-C115788.493047032-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME375666-C010927.465409953-
8-Epiiridodial glucoside8-Epiiridodial glucosideME375840-C116564.391865573-
8-Oxocoformycin-ME375796-C022437.846343019-
9-Oxononanoic acid9-Oxo-nonanoic acidME375629-C163224.40387441-
9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadie...15-Methyl-15S-PGD2ME375867--3.609004449-
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadie...18-Acetoxy-PGF2alpha-11-acetateME375900--3.802323337-
AcetoacetateAcetoacetic acidME375497-C0016413.10003445-
AcetylglycineN-AcetylglycineME375518--9.629900106-
a Cysteine adduct-ME375676--9.066865285-
ADPADPME375889-C0000814.93005001-
Ala-Ala-GlyAla-Ala-GlyME375724--12.45511431-
Ala-Glu-Asn-Glu-ME375902--11.93226207-
Ala-Met-Val-Pro-ME375887--8.317206042-
Ala-Phe-Val-Asp-ME375898--7.915713331-
Ala-SerAla-SerME375649--12.66387363-
Amaralin-ME375781-C092913.989683363-
Aminoimidazole ribotideAIRME375808-C0337316.22900136-
ApioleApioleME375730-C104294.098854438-
ArecolineArecolineME375590-C101297.340262214-
Arg-Thr-Gln-Tyr-ME375924--21.82103562-
Arnicolide A-ME375825-C092993.515188904-
AscorbateVitamin CME375647-C0007214.55463569-
Asn-Asn-ProAsn-Asn-ProME375851--12.75190457-
Asn-Met-Cys-Pro-ME375903--13.06520608-
Asn-Met-Gln-Pro-ME375911--8.634879783-
Asp-Cys-Cys-Gln-ME375904--15.76162516-
Asp-Thr-Cys-Tyr-ME375913--12.10020151-
ATPATPME375916-C0000216.45724325-
Azelaic acidAzelaic acidME375668-C0826110.83955661-
BenzoateBenzoic acidME375527-C001807.462373352-
beta-Alanopine-ME375599-C022077.924048751-
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME375835--20.3331526-
BotrydialBotrydialME375830-C096223.770087789-
CantleyineCantleyineME375706-C099334.563990317-
CapryloylglycineCapryloylglycineME375699--7.454222209-
CarnosolCarnosolME375841-C090694.135868772-
CDPCDPME375881-C0011217.05695852-
CDP-ethanolamineCDP-EthanolamineME375896-C0057016.11591246-
CDP-N-dimethylethanolamine-ME375905--14.96964578-
CDP-N-methyl-L-glucosamine-ME375928-C0659212.7017278-
chromate-ME375520--21.33126709-
CinnavalininateCinnavalininateME375813-C0564015.32990129-
cis-Aconitatecis-Aconitic acidME375635-C0041718.45021091-
CitrateCitric acidME375678-C0015818.6339445-
CMP-2-aminoethylphosphonateCMPciliatineME375892-C0567314.99891671-
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME375937-C0012815.10312771-
CoACoenzyme AME375945-C0001013.36804869-
CoA-glutathioneGlutathionyl-CoAME375920-C0092017.00436113-
CTPCTPME375908-C0006318.61052559-
Cys-Lys-Gly-Pro-ME375882--13.28969551-
Cys-Lys-Met-His-ME375917--13.84547729-
dADPdADPME375886-C0020614.0284111-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME375602-C0099311.84306993-
Dalpalatin-ME375864--4.585689327-
dATPdATPME375912-C0013115.60830977-
d-biotin d-sulfoxide-ME375775--7.445537525-
Decanoic acidCapric acidME375631-C015713.87477556-
DehydrophytosphingosineDehydrophytosphingosineME375833--4.092198799-
DehydrovomifoliolDehydrovomifoliolME375732-C025334.161881104-
dehypoxanthine futalosineDehypoxanthine futalosineME375809-C1701013.92221256-
Demethyltorosaflavone DDemethyltorosaflavone DME375862--4.847265244-
D-ErythroseErythroseME375525-C0179614.25475227-
D-Erythrose 4-phosphateErythrose 4-phosphateME375693-C0027912.92740546-
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME375849-C0035418.36268056-
D-Fructose 6-phosphateFructose 6-phosphateME375773-C0008516.13277503-
D-GalactoseGalactoseME375656-C0012413.50157884-
dGDPdGDPME375890-C0036116.37469864-
D-GlucarateGlucaric acidME375708-C0081817.36889271-
D-Gluconic acidGluconic acidME375688-C0025714.35935567-
D-Glucono-1,5-lactoneGluconolactoneME375651-C0019815.51246562-
D-GlucoseGlucoseME375657-C0022116.97427341-
D-Glucose 6-phosphateGlucose 6-phosphateME375774-C0009216.89930936-
D-GlycerateGlyceric acidME375505-C0025812.4727967-
D-HistidineD-HistidineME375588-C0641915.1658766-
Di(2-ethylhexyl) adipateDiethylhexyl adipateME375870-C142403.560661112-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME375700-C040677.460341085-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...-ME375601--4.555813361-
dihydrocamalexate-ME375758--10.83481394-
Dihydrogenphosphate-ME375494--14.55276549-
Diisopropyl adipate-ME375743-C145237.519415521-
DillapioleDillapiolME375731-C104497.347466702-
Dimethyl adipateDimethyl adipateME375639-C145704.570285611-
Dipropyl disulfideDipropyl disulfideME375576-C083738.189585916-
Dodecanedioic acidDodecanedioic acidME375744-C026784.580581156-
Dodecanoic acidLauric acidME375697-C026793.769073334-
D-RiboseRiboseME375574-C0012112.42005439-
D-Ribose 5-phosphateRibose 5-phosphateME375742-C0011715.57875409-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME375803-C0538216.24979316-
dTTPdTTPME375907-C0045916.07227359-
D-XylonateXylonic acidME375611-C0050213.76372789-
D-XylonolactoneD-Xylono-1,5-lactoneME375572-C0226615.43312554-
EmbelinEmbelinME375807-C103427.295436707-
ErythritolErythritolME375530-C0050311.60952216-
ErythronicacidErythronic acidME375550--12.68112332-
Ethanolamine phosphatePhosphoethanolamineME375555-C0034615.49883466-
Ethyladipicacid-ME375638--10.54809435-
ethyl propionateEthyl propanoateME375499--3.798302222-
Ethyl (R)-3-hydroxybutanoate-ME375543-C034994.559938931-
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME375604-C038644.565130039-
[FA (10:0/2:0)] Decanedioic acidSebacic acidME375701-C082774.375801103-
[FA (11:0/2:0)] Undecanedioic acidUndecanedioic acidME375721--8.577944505-
[FA (11:0)] undecanoic acidUndecylic acidME375665--3.832535587-
FA (12:1) dodecenoic acidDodecenoic acidME375691--3.858766666-
[FA (13:0/2:0)] Tridecanedioic acidTridecanedioic acidME375756--4.574392259-
FA(16:1)Hexadecenoic acidME375766-C083623.646265547-
FA (17:0)Margaric acidME375787--3.626145545-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME375797-C007123.611087782-
[FA (18:2)] octadecadienoic acidOctadecadienoic acidME375831-C047173.709677785-
FA (20:0)Arachidic acidME375832-C064253.590852254-
FA (20:4)Arachidonic acidME375822-C002193.822490014-
[FA (8:0)] octanoic acidCaprylic acidME375561-C064237.346355557-
FA (8:0) octanoic acidCaprylic acidME375560-C064234.142496643-
[FA (8:1/5:2/7:0)] 5-hydroperoxy-7-[3,5-epidioxy-2...-ME375860--4.057461124-
FADFADME375947-C0001611.23751255-
FA dioxo(10:0)-ME375694--4.27741667-
FA hydroxy(10:0)-ME375669--4.455534431-
[FA hydroxy(11:1)] undecenoic acidUndecenoic acidME375695--4.041198883-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME375737--8.892389865-
FA hydroxy(12:0) dodecanoic acidLauric acidME375722--4.067502221-
FA hydroxy(16:0)] hexadecanoic acid-ME375789--3.749049971-
FA hydroxy(18:0)-ME375817--3.676480018-
FA hydroxy(6:0)-ME375542--7.371959941-
FA hydroxy(7:0)-ME375569--4.482395562-
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME375603--7.452205539-
[FA hydroxy(9:0)] 2-hydroxy-nonanoic acid-ME375643--4.526977726-
[FA hydroxy(9:0)] 3-hydroxy-nonanoic acid-ME375642--7.398354424-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME375644--4.152362213-
[FA methyl(11:0)] 10-methyl-undecanoic acidIsolauric acidME375696--7.345354445-
FA methyl(12:0) dodecanoic acidLauric acidME375716--3.742874434-
FA methyl(14:0)-ME375751-C166653.667446679-
FA methyl(14:0) dodecanedioic acidDodecanedioic acidME375755--7.46135888-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME375770--4.541254408-
FA methyl(16:0)] tetradecanedioic acid-ME375788--4.420298886-
FA methyl(16:1)-ME375785--3.665447778-
FA methyl(18:0)-ME375812--3.569729987-
FA methyl(6:0)-ME375540--4.369833272-
FA methyl(8:0)-ME375598--3.969506683-
[FA] Methyl jasmonateMethyl jasmonateME375735-C115123.926231113-
FA oxo(10:0)-ME375664--4.271281111-
FA oxo(12:1)TraumatinME375712-C163093.947337799-
FA oxo(14:1) cyclopentanebutanoic acid-ME375747--3.938242238-
FA oxo(16:0)-ME375786--3.715785573-
FA oxo(18:0)-ME375811--3.653366682-
FA oxo(7:0)-ME375559--7.455244412-
FA oxo(8:0) oxo-octanoic acid-ME375597--4.546473321-
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME375593--4.433771091-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME375628--7.360725538-
[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,1...20-Hydroxy LTB4ME375857-C048533.86070109-
[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-din...2,3-Dinor-8-iso-PGF2alphaME375839-C147943.725837775-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME375549-C0162013.09517117-
Ferulatetrans-Ferulic acidME375683-C014947.316647814-
FMNFMNME375901-C0006111.18611959-
formyl-isoglutamine-ME375637-C1667410.34487036-
[Fv] Calomelanol D-1-ME375876--8.554762129-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME375692-C0611410.66664717-
Gammaglutamylornithinegamma-GlutamylornithineME375779--16.86565272-
GDPGDPME375895-C0003518.09076385-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME375927-C0513612.70171526-
GDP-4-dehydro-3,6-dideoxymannose-ME375926--16.47642644-
GDP-L-fucoseGDP-L-fucoseME375931-C0032517.7214447-
GDP-mannoseGDP-mannoseME375934-C0009618.3222502-
Gln-Leu-Lys-Tyr-ME375921--15.86542894-
GlucosylgalactosylhydroxylysineGlucosylgalactosyl hydroxylysineME375910--8.510670415-
Glu-Cys-CysGlu-Cys-CysME375858--16.93733342-
Glu-Glu-MetGlu-Glu-MetME375884--12.68605143-
Glu-MetGlu-MetME375791--12.11449712-
GlutathioneGlutathioneME375826-C0005114.32500434-
Glutathione disulfideOxidized glutathioneME375936-C0012717.22677409-
glutathione-sulfite-ME375875--19.65463126-
Glycerol 1,2-cyclic phosphate-ME375583-C0394713.08530697-
Glycerone phosphateDihydroxyacetone phosphateME375622-C0011115.53212501-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME375759-C0327413.05683899-
glycerophosphoserinesn-Glycero-3-phosphoserineME375771--15.31977921-
GlycochenodeoxycholateGlycochenodeoxycholic acidME375897-C054664.244404157-
GTPGTPME375918-C0004419.89530572-
GuanosineGuanosineME375798-C0038712.29776953-
H2S2O3-ME375511-C0552921.81115546-
Hexadecanoic acidPalmitic acidME375768-C002493.646309984-
hexanesulfonate-ME375612--4.358582187-
Hexanoic acidCaproic acidME375517-C015854.530924377-
HexanoylglycineHexanoylglycineME375632--4.566160007-
HippurateHippuric acidME375653-C015867.454405551-
His-Lys-Trp-Pro-ME375925--23.60979156-
His-Met-Phe-Phe-ME375930--12.10382114-
Homoisocitrate-ME375704-C0566217.28564279-
Hydantoin-5-propionateHydantoin-5-propionic acidME375626-C0556515.46249864-
Hydroxyacetone phosphateHydroxyacetone phosphateME375585-C0350511.87088343-
HydroxymethylphosphonateHydroxymethylphosphonic acidME375507-C0645514.54876193-
HydroxypyruvateHydroxypyruvic acidME375503-C0016815.99546448-
Ile-Ala-SerIle-Ala-SerME375802--11.00613892-
Ile-SerIle-SerME375726--8.245645251-
Imidazol-5-yl-pyruvate-ME375586-C0327711.68500339-
IminodiacetateIminodiacetateME375545--17.05186686-
Inulicin-ME375827-C094833.758042213-
Jasmonecis-JasmoneME375608-C084903.971561093-
JSTX-3Joro spider toxinME375922-C139314.271255599-
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME375535-C0428114.51220554-
L-2-Aminoadipatealpha-Aminoadipic acidME375606-C0095615.36312215-
L-ArabinoseLyxoseME375575-C0025912.01842326-
L-AspartateAspartic acidME375544-C0004915.12640435-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME375519-C0044110.6597621-
L-beta-aspartyl-L-alaninebeta-AspartylalanineME375702--15.56175007-
L-beta-aspartyl-L-threonine-ME375745--15.55836114-
L-CystineCystineME375749-C0049115.75121672-
L-ErythruloseErythruloseME375526-C0204511.48038425-
L-Fucose 1-phosphateFucose 1-phosphateME375753-C0298513.52251129-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME375776--10.83215001-
L-gamma-glutamyl-L-leucinegamma-GlutamylleucineME375777--11.1704695-
L-Histidinol phosphateL-Histidinol phosphateME375729-C0110014.25468336-
L-Hypoglycin-ME375556-C0828712.73905124-
Lys-AsnLys-AsnME375778--14.62745277-
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))LPE 0:0/20:4(5Z,8Z,11Z,14Z)*ME375914--7.281581726-
LysoPE(16:1)LPE 16:1ME375899--4.305877813-
LysoPE(18:1)LPE 18:1ME375906--4.184431945-
LysoPE(20:4)LPE 20:4ME375915--4.142411105-
Maleic acidMaleic acidME375513-C0138412.17602668-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...-ME375879--3.8909444-
Methyl butyrateMethyl butanoateME375501--4.570888875-
Methylitaconate-ME375558-C022957.472657776-
Methyl oxalate-ME375521-C109003.787230004-
Met-Pro-SerMet-Pro-SerME375842--14.80848626-
Met-Thr-AspMet-Thr-AspME375866--13.19469172-
Met-Thr-ProMet-Thr-ProME375852--10.6880212-
Met-Trp-Trp-Trp-ME375939--8.779614185-
Met-Val-HisMet-Val-HisME375874--12.88346651-
Miroestrol-ME375865-C0883110.72032277-
Monomethyl sulfateMethyl sulfateME375506-C0270414.14396884-
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy...-ME375891--7.568139321-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME375720--8.487152608-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME375845-C0454015.56127235-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME375675--11.9736318-
N5-formyl-N5-hydroxy-L-ornithine-ME375650--13.43516405-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME375703-C039559.776644389-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME375757-C012554.472298516-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME375821-C1227017.06465302-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME375818-C0035714.79080819-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME375734--12.68998049-
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME375727-C0377613.99906079-
N-AcetylindoxylN-AcetylindoxylME375646-C022989.619262356-
N-Acetyl-L-aspartateN-Acetylaspartic acidME375645-C0104214.86257331-
N-Acetyl-L-glutamateN-Acetylglutamic acidME375670-C0062414.26361003-
N-AcetylmethionineN-AcetylmethionineME375677-C027127.454405551-
N-AcetylneuraminateN-Acetylneuraminic acidME375828-C0027013.66679484-
N-AcetylornithineN-AcetylornithineME375641-C0043713.06194372-
N-AcetylvanilalanineN-AcetylvanilalanineME375764--8.02206387-
NADHNADHME375938-C0000413.26011531-
NADP+NADP+ME375941-C0000616.58317066-
NADPHNADPHME375942-C0000517.36016659-
Nalpha,Nalpha-Dimethyl-L-histidineN,N-DimethylhistidineME375660-C042598.18442821-
N-Carbamoyl-L-aspartateCarbamoylaspartateME375648-C0043817.05679177-
N-Carbamyl-L-glutamateCarglumic acidME375672-C0582916.90790873-
N-DecanoylglycineN-DecanoylglycineME375741--4.44214447-
N-hydroxyisoleucineN-hydroxyisoleucineME375571--8.418966675-
Nigakihemiacetal ANigakihemiacetal AME375885-C087723.790366686-
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME375587-C0121014.69448759-
N,N'-DimethylureaN,N-DimethylureaME375490-C1636414.35891067-
N-NonanoylglycineN-NonanoylglycineME375718--4.538172167-
nocardicin F-ME375880-C1735411.39711253-
nonulose 9-phosphateNonulose 9-phosphateME375854--16.96650001-
NorepinephrinesulfateNorepinephrine sulfateME375762--7.529031881-
N-((R)-Pantothenoyl)-L-cysteine-ME375837-C0407913.3068954-
N-UndecanoylglycineN-UndecanoylglycineME375752--4.250722232-
O-Acetyl-L-homoserineO-Acetyl-homoserineME375605-C010779.472284478-
O-Acetyl-L-serineO-AcetylserineME375570-C0097910.69444878-
Octadecanoic acidStearic acidME375799-C015303.605065545-
octulose 8-phosphateOctulose 8-phosphateME375834--16.65227915-
Oligomycin BOligomycin BME375949-C113127.489980934-
OrotateOrotic acidME375591-C0029510.47026539-
Orotate(Fragment)Orotic acidME375509-C002959.658828871-
OrotidineOrotidineME375800--12.81699583-
OrthophosphatePhosphoric acidME375495-C0000914.5832255-
OxalateOxalic acidME375491-C0020918.26895535-
Oxidized Latia luciferin4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanoneME375686-C035273.750984463-
OxoamideOxoamideME375681--7.585716629-
p-Chlorobenzhydrol-ME375725-C146724.495777757-
P-DPD-ME375711--13.37916523-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPE P-16:0 or LPE O-16:1ME375893--4.234190241-
PG(32:1)PG 32:1ME375940--3.459360012-
PG(36:2)PG 36:2ME375946--3.317541673-
Phe-AsnPhe-AsnME375795--7.687859726-
Phenol sulfatePhenyl hydrogen sulfateME375633-C021805.028443019-
PhenolsulfonphthaleinPhenolsulfonphthaleinME375859-C126007.434048716-
PhenylgalactosidePhenyl-beta-D-galactosideME375767-C025787.926905551-
PhenylpropanoateHydrocinnamic acidME375577-C056294.529872267-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME375620-C1348214.55709766-
PhosphoenolpyruvatePhosphoenolpyruvic acidME375617-C0007417.96445254-
PhosphonoacetaldehydePhosphonoacetaldehydeME375531-C0316714.56538069-
PhthalatePhthalic acidME375609-C0160613.51509223-
PhytuberinPhytuberinME375806-C097093.725827789-
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME375933--3.906095865-
PI(38:4)PI 38:4ME375950--3.410408338-
PIPES-ME375819--14.77815559-
PleuromutilinPleuromutilinME375871-C091693.634171109-
p-Menthane-3,8-diol-ME375630-C029047.345319994-
[PR] IridotrialIridotrialME375659-C060704.131574419-
Propanoyl phosphatePropanoyl phosphateME375584-C0287613.82128745-
propiin-ME375654--14.82000003-
Prostaglandin G2PGG2ME375868-C059563.881841109-
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME375816-C007773.774120009-
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta...-ME375894--3.792277764-
PS(34:1)PS 34:1ME375943--3.424504111-
PS(36:2)PS 36:2ME375948--3.418058332-
PseudouridinePseudouridineME375754-C0206711.72722058-
PsoralidinPsoralidinME375846-C105237.459469393-
Pyridine-2,3-dicarboxylateQuinolinic acidME375615-C0372215.57423456-
Pyrimidine nucleosidePyrimidine nucleosideME375714-C031697.460179412-
PyruvatePyruvic acidME375488-C000228.493623352-
QuinateQuinic acidME375680-C0029613.35879211-
(R)-2,3-Dihydroxy-3-methylbutanoate(R)-2,3-Dihydroxy-isovalerateME375548-C042728.754455499-
(R)-3-Hydroxybutanoate3R-Hydroxybutyric acidME375504-C010898.032431064-
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate-ME375673-C0454613.06668559-
Retinyl esterRetinyl esterME375820-C020753.804299995-
RibothymidineRibothymidineME375769--7.460763889-
RishitinRishitinME375733-C097153.792246653-
(R)-LactateLactic acidME375492-C0025614.98749559-
(R)-S-LactoylglutathioneS-LactoylglutathioneME375872-C0345112.52749015-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME375510-C0391215.47342522-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME375567-C060067.471017727-
(S)-2-Acetolactate(S)-2-AcetolactateME375541-C060107.465409953-
(S)-2-O-Sulfolactate-ME375621-C0291417.99621134-
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME375538-C006717.465409953-
S-(3-oxo-3-carboxy-n-propyl)cysteineS-(3-Oxo-3-carboxy-n-propyl)cysteineME375728--13.92993054-
(S)-ACPA-ME375713-C1367315.03571947-
Salicylaldehyde2-HydroxybenzaldehydeME375528-C062025.058226624-
(S)(+)-AllantoinAllantoinME375594-C0235014.1433236-
(S)-AMPAAmpaME375662-C136729.743134484-
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME375853-C1487112.15247913-
Shiromodiol diacetateShiromodiol diacetateME375848-C097253.656396654-
(S)-LactateLactic acidME375493-C001869.803637695-
(S)-MalateMalic acidME375547-C0014916.30054565-
S-Methyl-5-thio-D-ribose 1-phosphate5-Methylthioribose 1-phosphateME375772-C0418812.12406029-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME375843-C0122516.0350064-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME375717-C0123315.34854402-
sn-glycerol-1-phosphate-ME375624-C0062313.9230422-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME375625-C0009314.93555115-
sodium dodecyl sulfate-ME375782--3.549612223-
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME375873-C061247.456933297-
(S,S)-Tartaric acid-ME375573-C0210717.66659993-
S-Sulfo-L-cysteineCysteine-S-sulfateME375698-C0582417.63734585-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...Chenodeoxycholic acidME375878-C025284.272234429-
Suberic acidSuberic acidME375640-C082787.375023397-
SuccinateSuccinic acidME375522-C0004215.39819777-
SulfoacetateSulfoacetic acidME375554-C1417918.66000014-
TaurineTaurineME375532-C0024515.32528897-
TauropineTauropineME375689-C016169.27612915-
Tetracosanoic acidLignoceric acidME375869-C083203.467530026-
Tetradecanoic acidMyristic acidME375740-C064243.697631107-
TetrahydropteridineTetrahydropteridineME375551-C056508.864401415-
Tetranor-PGE1Tetranor-PGE1ME375810--3.776147766-
Tetranor-PGF1alphaTetranor-PGF1alphaME375815--3.834565531-
Thr-AlaThr-AlaME375674--13.9477389-
Thymyl acetateThymol acetateME375682-C099094.231263326-
trans-Aconitatetrans-Aconitic acidME375634-C0234115.56452175-
Trimetaphosphate-ME375748-C0246621.77172214-
Tuliposide ATuliposide AME375793-C085617.464398872-
UDPUDPME375883-C0001516.5973554-
UDP-D-xyloseUDP-D-xyloseME375919-C0019016.70415972-
UDP-glucoseUDP-glucoseME375923-C0002916.4740765-
UDP-glucuronateUDP-glucuronic acidME375929-C0016719.5241528-
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME375935-C0020315.07500144-
UMPUMPME375838-C0010515.09157071-
UracilUracilME375508-C001068.00079105-
UrateUric acidME375619-C0036613.24768931-
UrsodiolUrsodeoxycholic acidME375877-C078807.353609992-
UTPUTPME375909-C0007518.03208313-
VanilpyruvicacidVanilpyruvic acidME375710--4.583701104-
VinylacetylglycineVinylacetylglycineME375557--7.573492314-
XanthineXanthineME375578-C0038511.33808777-
XanthommatinXanthommatinME375888-C0196915.00047885-
Xanthoxin-ME375763-C134533.797303297-
XylitolXylitolME375580-C0037912.72988812-
ZinnimidineZinnimidineME375780-C106267.320602247-
ZoxazolamineZoxazolamineME375618-C138417.487538995-


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