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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
DL-Methionine sulfoneMethionine sulfoneME413779--11.79385653-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME413780-C0421012.87673981-
Diisopropyl phosphate-ME413781-C031134.105361596-
N-succinyl-L-citrullineN(2)-Succinyl-citrullineME413782--8.056432161-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME413783--12.65595785-
CycasinCycasinME413784-C0141811.49673071-
BendiocarbBendiocarbME413785-C144334.564782134-
N-UndecanoylglycineN-UndecanoylglycineME413786--3.794691353-
Diisononyl phthalateDiisononyl phthalateME413787-C152213.690050007-
N-Glycolyl-D-glucosamineN-Glycolyl-D-glucosamineME413788-C0314618.87889994-
N-AcetylmuramateN-Acetylmuramic acidME413789-C0271313.41083091-
trans-3-Octenedioic acid-ME413790--13.18908643-
γ-glutamyl-S-t-propenylcysteine-ME413791--11.56889742-
BiotinsulfoneBiotin sulfoneME413792--12.68248322-
Ethyladipicacid-ME413793--12.15747771-
3,3-Dimethylglutaricacid-ME413794--6.486600727-
N-Acetyl-L-histidineN-AcetylhistidineME413795-C029978.681725057-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME413796-C0513612.81792837-
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one-ME413797-C150777.785839114-
dehydrolysine-ME413798--27.47424702-
3-Amino-2-piperidone3-Amino-2-piperidoneME413799--10.41681743-
4-oxo-4-(3-pyridyl)-butanoate-ME413800--8.381990284-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophenecis-1,2-dihydroxy-1,2-dihydrodibenzothiopheneME413801-C067214.383007695-
4-Nitroaniline4-NitroanilineME413802-C021267.575339061-
3-Isopropylcatechol3-IsopropylcatecholME413803-C010145.946087348-
3-Furoicacid3-Furoic acidME413804--12.70654439-
RicinineRicinineME413805-C015268.035095151-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME413806-C0116215.74157297-
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate-ME413807-C071597.147196013-
MycosporineMycosporineME413808-C106076.243427429-
1,2-Dihydroxymint lactone1,2-Dihydroxymint lactoneME413809-C098535.652130478-
Bicine-ME413810--10.99621221-
Diacetylmonoxime2,3-Butanedione monoximeME413811-C075098.036304954-
2-Octenedioicacid2-Octenedioic acidME413812--6.31940576-
gamma-Undecalactonegamma-UndecalactoneME413813-C085714.128821798-
3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one4-HeptanoneME413814-C073506.142960739-
N-(3-acetamidopropyl)-4-aminobutanalN-(3-Acetamidopropyl)-4-aminobutanalME413815--6.12235179-
VanillacticacidVanillactic acidME413816--6.241918786-
N-PhenylacetamideN-AcetylarylamineME413817-C075659.509289505-
Tyramine-O-sulfateTyramine-O-sulfateME413818--7.249052726-
Furfural diethyl acetal-ME413819-C142806.20342644-
OphthalmicacidOphthalmic acidME413820--13.37649988-
cis-4-Octenedioicacid-ME413821--11.65997816-
AMCCN-Acetyl-S-(n-methylcarbamoyl)cysteineME413822-C114909.779787191-
3-Aminobenzenesulfonate-ME413823-C063345.182172471-
PiperidinePiperidineME413824-C0174613.95386789-
Succinyl prolineSuccinylprolineME413825-C1171113.25137865-
Methylripariochromene AMethylripariochromene AME413826-C090154.139826075-
Ethyl 3-oxohexanoateEthyl 3-oxohexanoateME413827-C029756.191374363-
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME413828-C033386.764670868-
3-Butylidene-7-hydroxyphthalidePhthalideME413829-C099213.799986313-
5-Nitro-2-furfuryl methyl ether-ME413830-C142939.640392994-
butyrylcholineButyrylcholineME413831--7.257689436-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME413832-C0454412.94810138-
Neuraminic acidNeuraminic acidME413833-C0646916.67698724-
6-isobutyl-4-hydroxy-2-pyrone-ME413834--7.206282219-
Ngamma-Monomethyl-L-arginineTarginineME413835-C0388424.23345812-
D-ApiitolApiitolME413836-C0156910.02059628-
Dolichodial-ME413837-C097776.355690809-
2-oxopenta-3,4-dienoate-ME413838--5.789447943-
5,6,7,8-Tetrahydro-2-naphthol-ME413839-C143094.128171873-
SuberylglycineSuberylglycineME413840--6.265220242-
5-Methyl-2-furaldehyde-ME413841-C111154.055088269-
Mesitylene-ME413842-C145085.890720096-
HydroxyhexanoycarnitineCAR 6:0;OHME413843--4.133759642-
Integerrine-ME413844-C100073.793342702-
ApioleApioleME413845-C104294.098397678-
Methyl cinnamateMethyl cinnamateME413846-C063584.176666672-
4-Oxocyclohexanecarboxylate-ME413847-C037677.342626444-
N-Carboxyethyl-g-aminobutyricacidN-Carboxyethyl-gamma-aminobutyric acidME413848--13.37348657-
CumeneIsopropylbenzeneME413849-C143964.135825865-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME413850-C1227017.37494124-
2-oxosuberate-ME413851-C165896.240512498-
VinylacetylglycineVinylacetylglycineME413852--9.281663162-
UmbelliferoneUmbelliferoneME413853-C093154.841710768-
Glutarimide-ME413854-C072756.046999385-
ArecolineArecolineME413855-C101297.873396547-
3-MethylglutarylcarnitineCAR DC5:0;3MeME413856--5.866507721-
N-(3-hydroxybutanoyl)-L-homoserine-ME413857--7.242586454-
N,N-Dimethylaniline N-oxide-ME413858-C011837.164674728-
E-pyridine-3-aldoxime-ME413859--5.857721228-
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanon...-ME413860--6.293515576-
N-HeptanoylglycineN-HeptanoylglycineME413861--4.923140217-
7-Methylguanine7-MethylguanineME413862-C0224212.28666538-
Furfural2-FurancarboxaldehydeME413863-C1427913.64438701-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME413864-C040678.69675649-
LinamarinLinamarinME413865-C015946.177307411-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME413866-C0554520.88045163-
10-oxogeranial-ME413867-C176224.335156943-
Isonicotineamide-ME413868-C0242113.77074342-
alpha-Methylstyrene-ME413869-C143953.979933324-
Isovalerylglutamicacid-ME413870--7.31556253-
IsovalerylcarnitineCAR 4:0;3MeME413871--7.442187464-
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone-ME413872--5.894570134-
HexylamineHexylamineME413873-C0830615.08745746-
OsajinOsajinME413874-C105114.301112493-
MukaadialMukaadialME413875-C097024.219074636-
histidine methyl ester-ME413876--12.67887285-
2-hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one-ME413877--5.787343788-
MethylglutarylcarnitineCAR DC5:0;3MeME413878--4.668865537-
N-hydroxy-N-isopropyloxamate-ME413879--7.308493102-
MillettoneMillettoneME413880-C105068.310135905-
TributyrinTG 4:0/4:0/4:0ME413881-C138704.14356459-
N-AcetyllactosamineN-AcetyllactosamineME413882-C0061113.2624575-
N-NonanoylglycineN-NonanoylglycineME413883--6.120639091-
2,3-Dihydroxycyclopentaneundecanoic acid-ME413884-C149874.047218393-
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoateVanylglycolME413885-C045354.818096246-
Cyclohex-2-enoneCyclohex-2-enoneME413886-C023954.083429483-
TiglylcarnitineCAR 4:1;2MeME413887--4.114237996-
TrimethylaminoacetoneTrimethylaminoacetoneME413888--27.52420682-
CarpacinCarpacinME413889-C104354.412852746-
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME413890-C036907.051286754-
FlavanoneFlavanoneME413891-C007667.076758654-
N-Acetyl-D-quinovosamine-ME413892-C154818.268458345-
homofuraneol-ME413893--5.780009741-
OctylamineOctylamineME413894-C017409.039037875-
S-(3-Methylbutanoyl)-dihydrolipoamide-ME413895-C051194.885558287-
2-MethylbutyroylcarnitineCAR 4:0;2MeME413896--4.357217249-
ChelilutineChelilutineME413897-C1222911.38922307-
PicolinamidePicolinamideME413898-C019507.262755734-
methylphoracetophenone-ME413899--27.31185632-
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME413900-C0248711.033595-
U 052123-Nordeoxycholic acidME413901-C154756.193894068-
N,N-DimethylanilineN,N-DimethylanilineME413902-C028464.589851204-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME413903--16.46134612-
L-lactide-ME413904--5.153603484-
PendimethalinPendimethalinME413905-C110194.066022237-
HeterodendrinHeterodendrinME413906-C083324.217436263-
Eugenol methyl etherMethyleugenolME413907-C104544.098872989-
S-8-methylthiooctylhydroximoyl-L-cysteine-ME413908--4.094462474-
ButenylcarnitineCAR 4:1ME413909--4.672348286-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME413910-C0113315.96014882-
Isobutyryl-L-carnitineCAR 3:0;2MeME413911--4.110534648-
HymenoxonHymenoxonME413912-C094824.162083326-
HexanoylcarnitineCAR 6:0ME413913--4.30623936-
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME413914-C042774.842340737-
5-Oxo-1,2-campholide5-Oxo-1,2-campholideME413915-C029525.704919556-
CHAPSCHAPSME413916-C113217.106478025-
BicozamycinBicozamycinME413917-C1125911.0113282-
CaproylcholineCaproylcholineME413918--7.486993841-
N,N-dihydroxyisoleucine-ME413919--7.742434653-
DopaminequinoneDopamine quinoneME413920--7.409685069-
N-(3-oxooctanoyl)-L-homoserine-ME413921--4.230537709-
Dimethyl adipateDimethyl adipateME413922-C145705.751220805-
ubiquinol-1-ME413923--4.073508756-
NG,NG-Dimethyl-L-arginineDimethylarginineME413924-C0362621.04939998-
1-methylguanosine1-MethylguanosineME413925--9.51561114-
N(alpha)-t-Butoxycarbonyl-L-leucine-ME413926-C043014.633066682-
Methylacetoacetic acidMethylacetoacetic acidME413927--4.309947233-
Cyclohexane-1,3-dioneCyclohexane-1,3-dioneME413928-C010664.829910331-
N-α-L-histidine-ME413929--10.1165775-
2-O-Methylcytosine2-O-MethylcytosineME413930--7.447870119-
methyl pyruvateMethyl pyruvateME413931--4.590207837-
Benzyl 2-methyl-3-oxobutanoateBenzyl 2-methyl-3-oxobutanoateME413932-C040004.752876059-
2,3-Diaminosalicylic acid2,3-Diaminosalicylic acidME413933--9.137165324-
(-)-CamphorCamphorME413934-C008094.090600595-
L-isoleucyl-L-prolineIle-ProME413935--9.399919019-
8-Oxocoformycin-ME413936-C022438.057370843-
PsicofuraninAngustmycin CME413937-C053429.125698556-
3Hydroxycoumarin-ME413938--6.397560501-
DanieloneDanieloneME413939-C106747.183061441-
ZAPAZAPAME413940-C1369513.66102163-
γ-glutamyl-L-alaninol-ME413941--11.46513468-
4-Hexyloxyphenol-ME413942-C143054.082409203-
N-AcetylvanilalanineN-AcetylvanilalanineME413943--8.07416073-
2-acetamidoglucal-ME413944--11.49003272-
dihydrothymidine5,6-DihydrothymidineME413945--15.28052939-
N1,N8-diacetylspermidineN1,N8-DiacetylspermidineME413946--14.78024355-
2-Hydroxyadenine2-HydroxyadenineME413947--9.0983942-
Riboflavin cyclic-4',5'-phosphate-ME413948-C1607111.33436389-
N2-N2-DimethylguanosineN2,N2-DimethylguanosineME413949--8.17923699-
CeruleninCeruleninME413950-C120584.921236814-
MethylenediureaMethylenediureaME413951-C0638111.3828864-
N-ethylsuccinimideN-EthylsuccinimideME413952--5.969305157-
allopurinolAllopurinolME413953-D002247.840113034-
1-Methylhypoxanthine1-MethylhypoxanthineME413954--8.198952781-
Heptanoylcholine-ME413955--4.378400073-
AlliinAlliinME413956-C082658.26050642-
Bisnorbiotin-ME413957--7.212369283-
2-hydroxypurine-ME413958--10.32180621-
Homostachydrine(S)-HomostachydrineME413959-C082839.395941408-
3,4-Dihydro-2H-Pyrrole-2-carboxylate-ME413960-C043229.184789127-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME413961-C048753.786757458-
3-Methylguanine3-MethylguanineME413962-C022309.340893046-
2-butyl-4-hydroxy-5-methyl-3(2H)-furanone-ME413963--6.985667805-
N,N-dihydroxyvaline-ME413964--9.774046326-
HerniarinHerniarinME413965-C092684.030606333-
4-fluorotryptophan-ME413966--10.46542831-
carbidopa-ME413967--8.088643548-
3-nitro-2-butanol-ME413968--9.612503543-
N-AcetylglutamineN-AcetylglutamineME413969--10.57368217-
3-Ketosphingosine3-KetosphingosineME413970-C061213.835636249-
ConvicineConvicineME413971-C0843019.13031938-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME413972-C0411412.92949731-
N4-AcetylcytidineN4-AcetylcytidineME413973--7.90680417-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME413974-C154978.670280029-
MethacholineMethacholineME413975-C0747112.75056394-
EthylphosphateEthylphosphateME413976--9.556579668-
Diethyl sulfide-ME413977-C022729.577544403-
2'-O-Methyladenosine2'-O-MethyladenosineME413978-C0477914.46078832-
Boc-Asn-ME413979-C014107.491188401-
HeptanoylcarnitineCAR 7:0ME413980--4.119524994-
5-Hydroxytryptophol5-HydroxytryptopholME413981--11.13614655-
DL-β-hydroxynorvaline-ME413982--16.05027693-
5-Hydroxytryptophan5-Hydroxy-tryptophanME413983-C010179.964895842-
N-AcetylmethionineN-AcetylmethionineME413984-C027124.948018171-
(-)-erythro-(2R,3R)-dihydroxybutylamide-ME413985-C111087.373006308-
PalmiticamidePalmitamideME413986--3.989068962-
AllylisothiocyanateAllyl isothiocyanateME413987--7.549895859-
Casein K-ME413988-C0148312.23167972-
5-guanidino-3-methyl-2-oxo-pentanoate-ME413989--13.44231988-
AldicarbAldicarbME413990-C110159.617162069-
3,5-dihydro-5-methylidene-4H-imidazol-4-one-ME413991--13.12405277-
FasoracetamFasoracetamME413992-C133118.620138804-
PhenylethylmalonamidePhenylethylmalonamideME413993-C074998.540286347-
Muramic acidMuramic acidME413994-C0647013.15709417-
Miraxanthin-IMiraxanthin-IME413995-C0855414.85936163-
Militarinone AMilitarinone AME413996-C123333.917622227-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME413997-C0066914.31453493-
UrocanateUrocanic acidME413998-C0078510.97577413-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME413999-C0395510.26053576-
N-Acetyl-L-citrullineN-AcetylcitrullineME414000-C1553212.51422432-
N-AcetylornithineN-AcetylornithineME414001-C0043713.07220207-
N-Succinyl-LL-2,6-diaminoheptanedioateN-Succinyl-L,L-2,6-diaminopimelateME414002-C0442111.86239995-
L-TryptophanTryptophanME414003-C0007811.30712472-
L-TyrosineTyrosineME414004-C0008212.82765684-
L-SerineSerineME414005-C0006515.73078154-
L-AsparagineAsparagineME414006-C0015215.20975893-
PhosphocreatinePhosphocreatineME414007-C0230515.24064503-
meso-2,6-Diaminoheptanedioate-ME414008-C0068022.4442777-
L-GlutamineGlutamineME414009-C0006414.90312316-
L-ValineValineME414010-C0018312.09479318-
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME414011-C0428112.36492404-
L-LysineLysineME414012-C0004722.46107479-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME414013-C039129.535822445-
5-Aminolevulinate5-Amino-levulinic acidME414014-C0043014.21799489-
L-AlanineAlanineME414015-C0004114.63449142-
Phenylacetic acidPhenylacetic acidME414016-C070865.697287917-
L-OrnithineOrnithineME414017-C0007721.72716085-
CarnosineCarnosineME414018-C0038615.32084123-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME414019-C0365612.80440853-
1H-Imidazole-4-ethanamineHistamineME414020-C0038828.66090235-
L-ThreonineThreonineME414021-C0018814.38166347-
PhenylpropanoateHydrocinnamic acidME414022-C056296.181307729-
L-MethionineMethionineME414023-C0007311.17250863-
L-CystineCystineME414024-C0049116.23988194-
3-(3,4-Dihydroxyphenyl)lactate-ME414025-C012076.047296906-
N(pi)-Methyl-L-histidine3-MethylhistidineME414026-C0115211.885302-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME414027-C011796.349016698-
L-ArginineArginineME414028-C0006223.76359197-
L-HistidineHistidineME414029-C0013514.34632387-
3-Methoxy-4-hydroxyphenylethyleneglycolVanylglycolME414030-C055946.337355042-
IndoleIndoleME414031-C004639.736902067-
L-PhenylalaninePhenylalanineME414032-C000799.724318406-
N-Carbamyl-L-glutamateCarglumic acidME414033-C058299.944198687-
L-LeucineLeucineME414034-C0012310.4390196-
L-2-Amino-6-oxoheptanedioate-ME414035-C038719.623512348-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME414036-C055486.028233937-
N,N-DimethylglycineDimethylglycineME414037-C0102611.77068383-
L-CitrullineCitrullineME414038-C0032715.69948395-
PhosphonoacetaldehydePhosphonoacetaldehydeME414039-C0316713.95661252-
L-FormylkynurenineN-Formyl-L-kynurenineME414040-C027009.49294401-
Glutathione disulfideOxidized glutathioneME414041-C0012717.45415446-
3-Oxo-4-methylpentanoic acid-ME414042-C034676.092046712-
TyramineTyramineME414043-C004836.565182723-
L-KynurenineKynurenineME414044-C0032810.37419869-
GuanidinoacetateGuanidoacetic acidME414045-C0058115.67055202-
Imidazole-4-acetateImidazoleacetic acidME414046-C0283511.72557108-
Prenyl-L-cysteineS-Prenyl-L-cysteineME414047-C067517.360026381-
3-(2,3-Dihydroxyphenyl)propanoate-ME414048-C040444.922849966-
N6-Acetyl-L-lysineN6-AcetyllysineME414049-C0272712.29875307-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME414050-C061148.860015991-
3-Dehydroxycarnitine3-DehydroxycarnitineME414051-C055439.235470756-
2-IsopropylmaleateIsopropylmaleateME414052-C026319.999124711-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME414053-C0513113.05207582-
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME414054-C055969.811927359-
L-PipecolatePipecolic acidME414055-C0040812.00116381-
Phenylethyl alcohol2-PhenylethanolME414056-C058534.281195954-
S-(2-Methylbutanoyl)-dihydrolipoamide-ME414057-C051184.421623559-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME414058-C032398.908523577-
N-Acetyl-D-glucosamineN-AcetylglucosamineME414059-C0014011.48961137-
4-Imidazolone-5-acetate-ME414060-C0513313.45468335-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME414061-C1298612.48476836-
CreatineCreatineME414062-C0030014.35869286-
3,4-Dihydroxyphenylacetaldehyde3,4-DihydroxyphenylacetaldehydeME414063-C040436.290609423-
3-Methoxy-4-hydroxyphenylacetaldehydeHomovanillinME414064-C055814.309282325-
CreatinineCreatinineME414065-C007919.374787055-
3,4-Dihydroxymandelaldehyde3,4-DihydroxymandelaldehydeME414066-C055774.851309363-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME414067-C0044110.14683968-
BetaineBetaineME414068-C0071910.86508438-
HomoarginineHomoarginineME414069-C0192422.22111816-
HypotaurineHypotaurineME414070-C0051914.90294628-
4-HydroxyphenylethanolTyrosolME414071-C060444.375193664-
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol-ME414072-C115887.224249219-
2,6-Dihydroxyphenylacetate-ME414073-C062076.14945631-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME414074-C0569516.46152172-
Methylimidazoleacetic acidMethylimidazoleacetic acidME414075-C058289.462388102-
L-Methionine S-oxideMethionine sulfoxideME414076-C0298913.23990415-
5-Aminopentanoate5-Aminopentanoic acidME414077-C0043115.2057104-
L-ProlineProlineME414078-C0014812.4220782-
L-CysteineCysteineME414079-C0009727.3198219-
O-Acetyl-L-homoserineO-Acetyl-homoserineME414080-C0107710.64570218-
CholineCholineME414081-C0011420.43702884-
N-Formimino-L-glutamateFormiminoglutamic acidME414082-C0043911.53846948-
N6-Methyl-L-lysineN(6)-MethyllysineME414083-C0272821.92824666-
1-Pyrroline-2-carboxylate1-Pyrroline-2-carboxylic acidME414084-C035647.703641378-
S-Adenosyl-L-methionineS-AdenosylmethionineME414085-C0001915.8549143-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME414086-C0379321.19642311-
Pyridine-2,3-dicarboxylateQuinolinic acidME414087-C0372215.76010005-
delta1-Piperideine-2-carboxylateD-1-Piperideine-2-carboxylic acidME414088-C040927.482066661-
2,3,4,5-Tetrahydrodipicolinate-ME414089-C039727.35553585-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME414090-C0002113.00713837-
2-Oxo-4-hydroxy-5-aminovalerate-ME414091-C059419.867313218-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME414092-C0118112.80837037-
Cys-GlyCys-GlyME414093-C0141914.42330502-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME414094-C0413713.63741884-
GlutathioneGlutathioneME414095-C0005119.93936428-
PantothenatePantothenic acidME414096-C008648.560422098-
L-CarnitineCarnitineME414097-C0048712.79846414-
4-Guanidinobutanoate4-Guanidinobutanoic acidME414098-C0103514.76556234-
4-Aminobutanoategamma-Aminobutyric acidME414099-C0033415.41277648-
O-AcetylcarnitineCAR 2:0ME414100-C0257110.36835692-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME414101-C011658.982855733-
N4-AcetylaminobutanalN4-AcetylaminobutanalME414102-C0593610.64377712-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME414103-C0368011.34616026-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME414104-C012507.367677009-
5-Guanidino-2-oxopentanoate2-OxoarginineME414105-C0377114.12091946-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME414106-C058277.210693309-
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME414107-C0063212.21140121-
PhenylacetylglycinePhenylacetylglycineME414108-C055984.717347876-
IndolelactateIndolelactic acidME414109-C020438.022729432-
5-Hydroxyindolepyruvate5-HydroxyindolepyruvateME414110-C056464.665991669-
Epothilone AEpothilone AME414111-C121533.844271851-
OleandolideOleandolideME414112-C119904.050647942-
Acetylpseudotropine-ME414113-C124536.335198165-
5-Hydroxyconiferaldehyde5-HydroxyconiferaldehydeME414114-C122046.384302641-
tropinePseudotropineME414115-C0072927.58131047-
Sinapyl alcoholSinapyl alcoholME414116-C023254.164082421-
6-endo-Hydroxycineole6-endo-HydroxycineoleME414117-C030929.373771755-
MacarpineMacarpineME414118-C0616516.11310281-
Isopentenyl adenosineN6-IsopentenyladenosineME414119-C164274.670003096-
Xanthoxin-ME414120-C134534.190810947-
3-Dimethylallyl-4-hydroxymandelic acid-ME414121-C124574.3743354-
Coniferyl alcoholConiferyl alcoholME414122-C005904.281809985-
4-Hydroxycinnamyl aldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME414123-C056084.682826026-
1,3,5-trimethoxybenzene1,3,5-TrimethoxybenzeneME414124-D017924.490816086-
Proclavaminic acidProclavaminic acidME414125-C066589.698698699-
SlaframineSlaframineME414126-C061859.260028778-
(3S,5S)-carbapenam-ME414127--9.166133313-
3-Butynoate3-Butynoic acidME414128-C0614413.51713651-
3-Ethylmalate-ME414129-C0198914.34573715-
Butanoic acidButyric acidME414130-C002466.508823831-
1-4-beta-D-Glucan1,4-beta-D-GlucanME414131-C007603.719237325-
CDP-ribitolCDP-ribitolME414132-C0078916.85923086-
UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate-ME414133-C0457316.25923672-
Acetyl-CoAAcetyl-CoAME414134-C0002412.23617695-
Thiamin diphosphateThiamine diphosphateME414135-C0006814.06728193-
(R)-S-LactoylglutathioneS-LactoylglutathioneME414136-C0345112.88061379-
OrthophosphatePhosphoric acidME414137-C0000913.96533461-
NAD+NADME414138-C0000313.76327507-
NADP+NADPME414139-C0000616.8342974-
NADPHNADPHME414140-C0000517.71721424-
AcetoacetateAcetoacetic acidME414141-C001646.84859066-
CDP-cholineCDP-cholineME414142-C0030715.10707615-
Choline phosphateCholine phosphateME414143-C0058814.55837839-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME414144-C0067013.95432351-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME414145-C1348213.767575-
4-8dimethylnonanoylcarnitine-ME414146--3.781034785-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME414147--3.963549974-
[FA amino(14:0)] 2-amino-tetradecanoic acid2-Aminotetradecanoic acidME414148--4.037389239-
N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME414149--3.839944204-
FA (16:2)Hexadecadienoic acidME414150--3.78775755-
[FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadien...13S-HODEME414151-C147623.772681602-
FA (12:1) dodecenoic acidDodecenoic acidME414152--4.048150591-
N-(11Z-eicosaenoyl)-ethanolamine11Z-Eicosaenoyl-EAME414153--3.859882536-
[FA (18:1)] 9Z-octadecenamideOleamideME414154--3.918748264-
FA oxo(8:0) oxo-octanoic acid-ME414155--4.754445376-
FA (12:1) Decenedioic acidDecenedioic acidME414156--5.790181636-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME414157--6.104966704-
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME414158--7.359844234-
Dodecanedioic acidDodecanedioic acidME414159-C026784.493607479-
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadie...18-Acetoxy-PGF2alpha-11-acetateME414160--3.951554187-
LinoleamideLinoleamideME414161--3.990179321-
[FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine-ME414162--4.513667236-
3,6-Nonadienal3,6-NonadienalME414163-C163234.199454604-
9-Oxononanoic acid9-Oxo-nonanoic acidME414164-C163225.988788508-
decanamideDecanamideME414165--4.308927602-
(-)-Jasmonic acidJasmonic acidME414166-C084914.25679081-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME414167--10.84897964-
[FA (7:2)] 2,4-heptadienal-ME414168--7.20689371-
Dinor-PGE2Dinor-PGE2ME414169--3.977192704-
FA dioxo(10:0)-ME414170--7.215529869-
FA (8:2)Octadienoic acidME414171--4.532231035-
3-acetyl-3-methyldihydrofuran-2(3H)-one-ME414172--4.826960333-
FA methyl(5:1)-ME414173--5.753622384-
FA methyl(6:1)-ME414174--4.482964378-
[FA oxo(5:1/5:0)] (1S,2R)-3-oxo-2-(2'Z-pentenyl)-c...-ME414175--7.120083934-
FA (6:1)Hexenoic acidME414176--4.332259194-
[FA methoxy,hydroxy(18:2)] octadecadienoic acidOctadecadienoic acidME414177--3.735981258-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...-ME414178--5.009953431-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME414179--4.689031528-
Suberic acidSuberic acidME414180-C082786.648021632-
[FA (7:1)] 3-heptynoic acid-ME414181--4.273590451-
FA (9:2) nonadienoic acidNonadienoic acidME414182--4.289149422-
(+)-7-Isojasmonic acid-ME414183-C163176.219308033-
FA (9:1) nonynoic acid-ME414184--6.555311497-
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME414185-C118375.523908032-
O-PropanoylcarnitineCAR 3:0ME414186-C030176.245068973-
OctadecanamideStearamideME414187-C138463.904526652-
4,8-Dimethyl-1,3E,7-nonatriene-ME414188--4.128632411-
[FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-fo...Butyric acidME414189--4.667555318-
O-ButanoylcarnitineCAR 4:0ME414190-C028628.038343688-
FA (8:0) octanoic acidCaprylic acidME414191-C064234.215848605-
FA (14:2) tetradecadienal-ME414192--3.973269072-
PalmitoleamidePalmitoleamideME414193--4.011346142-
[PC] 2-valeryl-sn-glycero-3-phosphocholine-ME414194--4.241062498-
PC(2:0)PC 2:0*ME414195--6.289933421-
LysoPC(16:0)LPC 16:0ME414196-C042304.376482624-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME414197-C139034.458240509-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...LPC 14:0ME414198-C042304.524230921-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPC P-16:0 or LPC O-16:1ME414199-C042304.447971453-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine-ME414200--10.33033964-
LysoPC(18:1)LPC 18:1ME414201--4.349091666-
LysoPC(16:1(9Z))LPC 16:1(9Z)ME414202-C042304.446010699-
PC(36:4)PC 36:4ME414203--3.736716673-
PC(36:2)PC 36:2ME414204--3.719081329-
PC(34:1)PC 34:1ME414205--3.747350677-
PC(38:4)PC 38:4ME414206--3.710413173-
PC(32:1)PC 32:1ME414207-C001573.773445638-
PC(34:2)PC 34:2ME414208--3.746286243-
PC(38:5)PC 38:5ME414209--3.727732519-
Ovalifolin-ME414210--4.865365366-
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-...-ME414211--7.774220785-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME414212--5.167797915-
Alatanin 2Alatanin 2ME414213--4.81130616-
[PR] (+)-Bornane-2,5-dioneBornane-2,5-dioneME414214-C030377.250286181-
[PR] IridotrialIridotrialME414215-C060704.639268967-
BotrydialBotrydialME414216-C096223.92382221-
[PR] 4-Oxomytiloxanthin4-OxomytiloxanthinME414217--7.586648467-
[SP (3:0)] sphinga-4E,8E,10E-trienine(4E,8E,10E-18:3;O2) SphingosineME414218--3.989092682-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...-ME414219--3.899744792-
[SP (14:0)] 1-deoxy-tetradecasphinganineXestoaminol CME414220--7.061918938-
DehydrophytosphingosineDehydrophytosphingosineME414221--3.785746555-
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME414222-C061244.887941742-
SM(d34:1)SM 34:1;O2ME414223--3.931221995-
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME414224-C005503.819118011-
Anthenoside A-ME414225--3.625125567-
MOPS-ME414226--10.64442245-
PhenolsulfonphthaleinPhenolsulfonphthaleinME414227-C126006.114490682-
CAPS-ME414228--8.74030232-
HEPESHEPESME414229--10.47839138-
N-MethylnicotinateTrigonellineME414230-C0100417.24415786-
2-Methyleneglutarate-ME414231-C0293014.3394921-
2,3-DimethylmaleateDimethyl maleateME414232-C0092213.47434087-
2-(Acetamidomethylene)succinate-ME414233-C0121513.41390406-
PantothenolPantothenolME414234-C0594411.36532642-
RiboflavinRiboflavinME414235-C002558.001135381-
PyridoxinePyridoxineME414236-C003147.752473232-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME414237-C010927.26290057-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME414238-C011254.411252921-
4-Pyridoxolactone4-PyridoxolactoneME414239-C009719.884498824-
FADFADME414240-C0001611.31879492-
PyridoxalPyridoxalME414241-C002507.864766012-
DethiobiotinDethiobiotinME414242-C019099.440189509-
BiotinBiotinME414243-C001208.63017395-
6-oxo-1,4,5,6-tetrahydronicotinate1,4,5,6-Tetrahydro-6-oxonicotinic acidME414244-C042267.225494893-
4-Pyridoxate4-Pyridoxic acidME414245-C008474.659419105-
7,8-Dihydromethanopterin-ME414246-C059273.626788839-
HypoxanthineHypoxanthineME414247-C002629.964928284-
CDPCDPME414248-C0011217.29712837-
CMPCMPME414249-C0005516.25161281-
AMPAMPME414250-C0002013.65059064-
3',5'-Cyclic AMP3',5' cyclic AMPME414251-C005759.393119225-
AdenosineAdenosineME414252-C002128.543462056-
5,6-DihydrothymineDihydrothymineME414253-C0090610.96134026-
nicotinamide ribosideNicotinamide ribosideME414254--23.56134098-
AdenineAdenineME414255-C001479.117796589-
InosineInosineME414256-C0029410.63432688-
DeoxycytidineDeoxycytidineME414257-C008819.832936823-
3-UreidopropionateUreidopropionic acidME414258-C0264212.11897474-
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME414259-C0373814.36447449-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME414260-C0528315.18366576-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME414261--10.34635765-
Gammaglutamylornithinegamma-GlutamylornithineME414262--17.73390706-
L-CysteinylglycinedisulfideCysteinylglycine disulfideME414263--15.27088883-
Cys-HisCys-HisME414264--13.42984721-
Glu-GluGlu-GluME414265-C0142517.03480558-
Glu-MetGlu-MetME414266--12.02016169-
Ile-AsnIle-AsnME414267--9.604917355-
Phe-AspPhe-AspME414268--12.43471674-
Glu-ArgGlu-ArgME414269--17.89953631-
Ile-SerIle-SerME414270--8.135966689-
Ile-AlaIle-AlaME414271--11.78088477-
Ile-ValIle-ValME414272--10.09373031-
Aspartyl-L-prolineAsp-ProME414273--15.64462554-
Leu-ProLeu-ProME414274--12.49648512-
Glycyl-leucineGly-LeuME414275-C021558.091517271-
Ile-LysIle-LysME414276--19.93760266-
Val-ValVal-ValME414277--12.74656662-
GlycylprolineGly-ProME414278--12.67481819-
Asp-ArgAsp-ArgME414279--17.85938439-
Gly-ArgGly-ArgME414280--16.8797971-
Phe-GlyPhe-GlyME414281--10.99051531-
Asp-Leu-Met-Pro-ME414282--10.30749181-
Asn-Lys-Phe-Asp-ME414283--15.66486935-
Asn-Leu-Asn-Tyr-ME414284--16.17434788-
Ala-Ala-Ala-Asp-ME414285--14.28526403-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME414286--17.02263333-
Asp-Thr-Cys-Tyr-ME414287--12.51600883-
Cys-Cys-Pro-Ser-ME414288--11.12148887-
Ala-Thr-Ala-Ala-ME414289--12.43540529-
Ala-Leu-Met-Ser-ME414290--8.822682699-
Ala-Lys-Trp-Val-ME414291--27.37971255-
Asn-Val-Asn-Ser-ME414292--8.742475874-
Ala-Ala-Ala-Ser-ME414293--11.56642182-
Asn-Met-Gln-Pro-ME414294--8.626380803-
Ala-Cys-Ser-Ser-ME414295--11.86032918-
Asp-Met-Asp-Gly-ME414296--16.07637439-
Asn-Asn-Cys-Pro-ME414297--17.04941673-
Cys-Pro-ProCys-Pro-ProME414298--16.35527822-
Trp-Asp-GlyTrp-Asp-GlyME414299--16.39424418-
Ser-Ser-TyrSer-Ser-TyrME414300--9.885673171-
Glu-Thr-ThrGlu-Thr-ThrME414301--17.38134969-
Ala-Gly-ProAla-Gly-ProME414302--10.21140895-
Glu-Cys-GlyGlu-Cys-GlyME414303--17.12763781-
Ala-Asp-GlyAla-Asp-GlyME414304--15.93307218-
Glu-Ala-AspGlu-Ala-AspME414305--16.75166657-
Thr-Cys-TyrThr-Cys-TyrME414306--9.735712844-
Met-Met-MetMet-Met-MetME414307--14.21336873-
Glu-Cys-GluGlu-Cys-GluME414308--16.22867056-
Met-Asp-CysMet-Asp-CysME414309--16.64073729-
Ile-Ile-ProIle-Ile-ProME414310--12.43306122-
Ala-Asn-SerAla-Asn-SerME414311--16.70146559-
Glu-Met-SerGlu-Met-SerME414312--12.29473819-
Ala-Asp-CysAla-Asp-CysME414313--16.13201494-
Glu-Ala-GluGlu-Ala-GluME414314--16.08890123-
Glu-Glu-MetGlu-Glu-MetME414315--9.283916558-
Glu-Ala-SerGlu-Ala-SerME414316--13.48803996-
Ala-Ala-AlaAla-Ala-AlaME414317--10.99565766-
epsilon-CaprolactamEpsilon-caprolactamME414318-C065936.822830516-
cis-1,2-Dihydro-3-ethylcatecholcis-1,2-Dihydro-3-ethylcatecholME414319-C067275.561104066-
2-Hydroxy-6-oxo-octa-2,4-dienoate-ME414320-C071236.591064722-
4-Aminobenzenesulfonate-ME414321-C063356.413576423-
4-Methylbenzyl alcohol-ME414322-C067575.854957493-
2-Hydroxycyclohexan-1-one2-Hydroxycyclohexan-1-oneME414323-C011476.379158616-
2-S-Glutathionyl acetate-ME414324-C1486216.63937957-
1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxyla...-ME414325-C067207.20202195-
2,6-Dimethylaniline2,6-DimethylanilineME414326-C110047.092495394-
2,4,6-Trihydroxytoluene2,4,6-TrihydroxytolueneME414327-C164014.844272013-
Benzene-1,2,4-triol1,2,4-TrihydroxybenzeneME414328-C028145.284970824-
Anthranilate2-Aminobenzoic acidME414329-C0010811.26433105-
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME414330-C1487112.18123725-
2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate-ME414331-C065825.77318679-
2-Hydroxy-6-oxoocta-2,4,7-trienoate-ME414332-C070877.09990832-
n-Propyl gallate-ME414333-C111554.894359334-
PirbuterolPirbuterolME414334-C0780712.16743508-


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
3-Hydroxypropenoate3-HydroxypropenoateME414335-C1206914.90655426-
quinolin-2(1H)-one2-HydroxyquinolineME414336-C063384.669790554-
sodium dodecyl sulfateBlasticidin SME414337--3.599082175-
3-sulfopropanoate-ME414338--17.1547533-
Ptaerochromenol-ME414339-C0902911.00537505-
Hydroxyacetone phosphateHydroxyacetone phosphateME414340-C0350512.98418703-
1(2H)-Isoquinolinone-ME414341-C0632410.27964067-
1,4-Bis(2-ethylhexyl) sulfosuccinate2-MethylacetophenoneME414342-C078743.554601148-
N-DecanoylglycineN-DecanoylglycineME414343--4.587614353-
VinylacetylglycineVinylacetylglycineME414344--5.979584407-
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME414345-C0292816.64759543-
2,5,6-Trihydroxy-5,6-dihydroquinoline-ME414346-C0633917.22743317-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME414347-C029486.951235629-
Miroestrol-ME414348-C0883110.81773252-
3-Succinoylpyridine3-SuccinoylpyridineME414349--5.113799364-
ValerylglycineValerylglycineME414350--4.812722597-
HomophytanicacidHomophytanic acidME414351--3.600460098-
D-Thevetose-ME414352-C162877.914454581-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME414353-C0452113.37398318-
Diisobutyl adipate-ME414354-C142606.475363212-
N-AcetylanthranilateMethyl n-acetylanthranilateME414355-C063327.268318049-
Valproylglycine-ME414356--4.79028964-
chlorosuccinate-ME414357--17.15517712-
3-Methyleneoxindole3-MethyleneoxindoleME414358-C027969.668654012-
N-Acetyl-L-leucineN-AcetylleucineME414359-C027104.80736668-
trans-3-Octenedioic acid-ME414360--11.30261957-
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohe...-ME414361-C048156.389898875-
PhytuberinPhytuberinME414362-C097093.778289681-
3-Dehydrocarnitine3-DehydrocarnitineME414363-C026366.109933963-
L-5-Carboxymethylhydantoin-ME414364-C037039.942644101-
ArecolineArecolineME414365-C101297.051889108-
13-14-DihydroPGF-1a-ME414366--4.04572157-
isophthalate-ME414367--16.95235641-
7-methylsulfinylheptyl glucosinolate-ME414368--14.15969481-
Bakkenolide ABakkenolide AME414369-C093503.902904011-
beta-D-DigitalopyranoseDigitaloseME414370-C082358.862473516-
PaeonosidePaeonosideME414371-C107174.361123647-
(+)-Neomenthyl O-beta-D-glucoside-ME414372-C041654.913984477-
CapryloylglycineCapryloylglycineME414373--7.261445407-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME414374-C0116212.551221-
methylmethanesulfonateMethyl methanesulfonateME414375--6.945485065-
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzop...-ME414376-C150518.515932054-
nonulose 9-phosphateNonulose 9-phosphateME414377--17.12203573-
GV 150013X-ME414378-C150964.165997113-
hexadecanedioateHexadecanedioic acidME414379--7.215122986-
Monomethyl sulfateMethyl sulfateME414380-C027049.003841953-
(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate-ME414381-C045294.432552684-
Isoamyl formate3-Methylbutyl formateME414382-C122936.227580454-
ethanesulfonate-ME414383--6.601379903-
bacimethrin-ME414384--7.069353441-
D-2-HydroxyisocaproateD-Leucic acidME414385-C032646.272290811-
HexanoylglycineHexanoylglycineME414386--7.973421294-
Methylacetoacetic acidMethylacetoacetic acidME414387--4.007768969-
N-NonanoylglycineN-NonanoylglycineME414388--7.217526438-
2-oxopenta-3,4-dienoate-ME414389--5.27182298-
allylcysteineS-AllylcysteineME414390-C167596.371256393-
N-UndecanoylglycineN-UndecanoylglycineME414391--4.375789634-
N-Acetyl-L-histidineN-AcetylhistidineME414392-C029979.927376883-
H2S2O3-ME414393-C0552922.0154654-
4-Propylphenol4-PropylphenolME414394-C143114.090810929-
glutaraldehydeGlutaralME414395-C125183.987378772-
6-formyl-H2-pterin-ME414396--8.527108658-
Diacetylmonoxime2,3-Butanedione monoximeME414397-C075097.171260351-
10-hydroxygeraniol-ME414398-C176213.992660908-
beta-Cymaropyranosebeta-CymaropyranoseME414399-C082347.253448837-
3-methylphosphoenolpyruvate-ME414400--17.03110327-
2-oxopimelate-ME414401-C165885.791624714-
DillapioleDillapiolME414402-C104497.096952872-
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME414403-C033387.15955807-
5-hydroxy-2,4-dioxopentanoate-ME414404-C054067.235461458-
5-exo-Hydroxy-1,2-campholide5-exo-Hydroxy-1,2-campholideME414405-C038434.28241842-
sn-glycerol-1-phosphate-ME414406-C0062313.96734027-
PD 123319-ME414407-C155533.889998976-
Ethyl isovalerateEthyl isovalerateME414408-C122907.049125286-
RhododendrinRhododendrinME414409-C099654.08857193-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME414410--12.80235216-
2-Hydroxydecanedioicacid2-Hydroxy-decanedioic acidME414411--4.787629893-
(+)-ProsopinineProsopinineME414412-C101674.124340475-
CoA-glutathioneGlutathionyl-CoAME414413-C0092017.3392564-
2,3-Dihydroxycyclopentaneundecanoic acid-ME414414-C149874.622078714-
2-chloro-3-methyl-maleylacetate-ME414415--15.44328993-
Isatin-ME414416-C111296.026964929-
alpha-Ironealpha-IroneME414417-C096903.92684655-
7,8-diketopelargonate-ME414418--4.769187348-
2,6-Dimethoxyphenol-ME414419-C107874.083009786-
2-Furoate2-Furoic acidME414420-C015467.196596571-
3-Isopropylcatechol3-IsopropylcatecholME414421-C010144.089368991-
2-Octenedioicacid2-Octenedioic acidME414422--7.228459781-
L-lactide-ME414423--4.749731621-
OrotidineOrotidineME414424--12.81443502-
Furfural diethyl acetal-ME414425-C142804.370094817-
PiceinPiceinME414426-C107204.798952071-
(-)-Menthyl O-beta-D-glucosideMenthyl beta-D-glucosideME414427-C039624.546325271-
polyprenylpyrophosphate-ME414428--4.152718679-
TaurohyocholateTaurohyocholic acidME414429-C155164.519458986-
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate-ME414430-C045866.211247131-
4-methyl-3-oxoadipate-ME414431--9.251381043-
CarpacinCarpacinME414432-C104354.272129313-
Phenol sulfatePhenyl hydrogen sulfateME414433-C021805.198858021-
3-tert-Butyl-5-methylcatechol3-tert-Butyl-5-methylcatecholME414434-C039294.098309891-
L-CladinoseL-CladinoseME414435-C119174.760294754-
methyl pyruvateMethyl pyruvateME414436--4.051315536-
Ethylmethylaceticacid-ME414437--4.78711896-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME414438-C040677.248235084-
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate-ME414439-C046554.479260298-
trans-4-Hydroxycyclohexanecarboxylate4-Hydroxycyclohexylcarboxylic acidME414440-C044048.377832785-
3-Methyladipicacid3-Methyladipic acidME414441--7.248569567-
Cytidine 2'-phosphate-ME414442-C0310417.30766664-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME414443-C033433.743372994-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME414444-C0454015.60373208-
GenipinGenipinME414445-C097804.256916669-
Oxidized Watasenia luciferinOxidized Watasenia luciferinME414446-C0388816.7036388-
ValproicacidglucuronideValproic acid glucuronideME414447--9.647779386-
QuinalphosQuinalphosME414448-C110303.796933317-
Cyclic ADP-riboseCyclic ADP-riboseME414449-C1305016.61991815-
itaconic anhydride-ME414450--4.779294867-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME414451-C0429916.353066-
octulose 8-phosphateOctulose 8-phosphateME414452--16.82762974-
3-acetamidopropanalAcetamidopropanalME414453--8.0581138-
2-butyl-4-hydroxy-5-methyl-3(2H)-furanone-ME414454--3.952348266-
AmmodendrineAmmodendrineME414455-C101259.72210062-
γ-thiomethyl glutamate-ME414456--9.867791603-
DHAP(10:0)-ME414457--4.223706245-
glycerophosphoserinesn-Glycero-3-phosphoserineME414458--15.43844316-
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME414459--20.59717373-
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate-ME414460--13.63827684-
5-Hydroxymethyl-2-furaldehyde5-Hydroxymethyl-2-furancarboxaldehydeME414461-C111014.394470141-
BerberastineBerberastineME414462-C093608.406264085-
CCCPCCCPME414463-C111647.208721415-
5-6-Dihydrouridine5,6-DihydrouridineME414464--9.84213326-
S-sulfanylglutathione-ME414465-C1726717.45680761-
AcetylglycineN-AcetylglycineME414466--9.78419656-
2-oxobut-3-enanoate-ME414467--7.220960136-
Di(2-ethylhexyl) adipateDiethylhexyl adipateME414468-C142403.705935073-
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...-ME414469-C150503.931411457-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME414470-C0327412.94238988-
1-thio-β-D-glucose-ME414471--18.87406397-
Dibutyl adipateDibutyl adipateME414472-C142537.236111503-
Patrinoside-ME414473-C116404.891530291-
p-CresolglucuronideP-Cresol glucuronideME414474--7.205715773-
Heptopyranosides-ME414475-C024137.243172411-
Nalpha-MethylhistidineN-MethylhistidineME414476-C032989.550105845-
N-hydroxyisoleucineN-hydroxyisoleucineME414477--8.545305506-
DL-Methionine sulfoneMethionine sulfoneME414478--9.260936167-
2-sinapoyloxy-3-butenylglucosinolate-ME414479--17.99370812-
L-Glutamate methylester-ME414480-C050169.576419488-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME414481-C0454412.95279541-
OxoamideOxoamideME414482--7.597483317-
SuccinylacetoneSuccinylacetoneME414483--5.997648235-
Nalpha,Nalpha-Dimethyl-L-histidineN,N-DimethylhistidineME414484-C042598.248636076-
TauropineTauropineME414485-C016169.345809682-
2-deoxyglucose-6-phosphate2-Deoxy-D-glucose 6-phosphateME414486--14.52476661-
N-Acetyl-D-mannosaminolactoneN-AcetylmannosaminolactoneME414487-C0377614.21839403-
N-AcetylmethionineN-AcetylmethionineME414488-C027127.237779852-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME414489-C0122516.16460917-
(S)-2-O-Sulfolactate-ME414490-C0291418.28798869-
7-Ethoxycoumarin7-EthoxycoumarinME414491-C110529.855293376-
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose-ME414492-C0661813.41909027-
methionol3-(Methylthio)-1-propanolME414493--4.540715281-
Octane-1,8-diol-ME414494-C142184.602626305-
L-Djenkolic acid-ME414495-C0827515.92273923-
RibothymidineRibothymidineME414496--7.35624644-
MagnoshininMagnoshininME414497-C106583.91802605-
2-(5'-methylthio)pentylmalate-ME414498-C172224.533304087-
Cys-GlyCys-GlyME414499-C0141913.98675313-
N-AcetylindoxylN-AcetylindoxylME414500-C022984.664886051-
2-Oxobutanoate3-Methyl pyruvic acidME414501-C0010914.81447784-
(2S)-2-Isopropylmalate2-Isopropylmalic acidME414502-C0250413.88349902-
CMP-2-aminoethylphosphonateCMPciliatineME414503-C0567315.11116689-
4-Hydroxy-2-oxopentanoateTetramethylammoniumME414504-C0358913.5289324-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME414505-C0059614.69327119-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME414506-C0035714.8282561-
2-Oxosuccinamate2-Oxosuccinamic acidME414507-C023629.087603353-
PhenylpyruvatePhenylpyruvic acidME414508-C001664.728659932-
L-AspartateAspartic acidME414509-C0004915.11023653-
N-Acetyl-L-aspartateN-Acetylaspartic acidME414510-C0104214.99549454-
D-CysteineD-CysteineME414511-C0079311.83051922-
Hydantoin-5-propionateHydantoin-5-propionic acidME414512-C055658.887354678-
4-Oxoglutaramate4-Oxoglutaramic acidME414513-C0557210.75420452-
(R)-2,3-Dihydroxy-3-methylpentanoate-ME414514-C060077.517219561-
ShikimateShikimic acidME414515-C0049313.56548821-
L-GlutamateGlutamic acidME414516-C0002514.79879103-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME414517-C0391215.66264995-
3-Dehydroquinate3-DehydroquinateME414518-C0094411.19386139-
L-IsoleucineIsoleucineME414519-C0040710.83946659-
SulfoacetateSulfoacetic acidME414520-C1417918.91263224-
8-Methoxykynurenate8-Methoxykynurenic acidME414521-C058307.22528189-
3-Oxo-4-methylpentanoic acid-ME414522-C034674.741947727-
5-Acetamidopentanoate5-Acetamidovaleric acidME414523-C030877.239227593-
4-Methyl-2-oxopentanoateKetoleucineME414524-C002337.26396551-
L-Histidinol phosphateL-Histidinol phosphateME414525-C0110014.33149836-
3-Indoleglycolaldehyde-ME414526-C032309.521325928-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME414527-C011797.230820247-
2-Oxohept-3-enedioate-ME414528-C0306311.65125421-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME414529-C036808.416705322-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME414530-C0512311.37985182-
2-IsopropylmaleateIsopropylmaleateME414531-C026317.26281149-
(S)-2-Acetolactate(S)-2-AcetolactateME414532-C0601014.90309147-
(2R,3S)-3-Isopropylmalate-ME414533-C044119.044114948-
5-OxoprolinePyroglutamic acidME414534-C0187910.31843732-
Carbamoyl phosphateCarbamoylphosphateME414535-C0016919.07904572-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME414536-C060067.542331073-
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc ...2,4-Dihydroxy-2-heptenedioic acidME414537-C062019.099032504-
Imidazol-5-yl-pyruvate-ME414538-C0327711.73870352-
O-AcetylcarnitineCAR 2:0ME414539-C025717.213050896-
(2S)-2-Isopropyl-3-oxosuccinate2-Isopropyl-3-oxosuccinateME414540-C042367.259194824-
2-Oxoglutaramate2-Keto-glutaramic acidME414541-C009407.857774125-
N-Acetyl-L-glutamateN-Acetylglutamic acidME414542-C0062414.46210524-
formyl-isoglutamine-ME414543-C1667410.52633114-
Ethanolamine phosphatePhosphoethanolamineME414544-C0034615.67159598-
2-OxoadipateOxoadipic acidME414545-C0032215.38890774-
O-Acetyl-L-serineO-AcetylserineME414546-C0097910.79675114-
N-Carbamyl-L-glutamateCarglumic acidME414547-C0582916.89640834-
Homoisocitrate-ME414548-C0566219.00437469-
2-Hydroxy-3-(4-hydroxyphenyl)propenoate-ME414549-C053508.230561585-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME414550-C0044110.77205684-
N-Formyl-L-methionineN-FormylmethionineME414551-C031457.262288899-
(S)-3-Hydroxyisobutyrate-ME414552-C060017.251153442-
PhenyllactatePhenyllactic acidME414553-C056076.467705548-
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME414554-C0584415.75992056-
(R)-2,3-Dihydroxy-3-methylbutanoate(R)-2,3-Dihydroxy-isovalerateME414555-C042728.903298863-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME414556-C036729.247255765-
L-CysteineCysteineME414557-C0009716.20169696-
PhenylacetylglycinePhenylacetylglycineME414558-C055987.319707298-
N-Hydroxy-L-tyrosineN-Hydroxy-tyrosineME414559-C0300410.3595249-
S-Sulfo-L-cysteineCysteine-S-sulfateME414560-C0582417.79817776-
5-Hydroxyindolepyruvate5-HydroxyindolepyruvateME414561-C056464.659542384-
L-Olivosyl-oleandolideL-Olivosyl-oleandolideME414562-C119913.800118748-
Stealthin CStealthin CME414563-C1239216.89537301-
3,6,8-Trimethylallantoin-ME414564-C1636212.65881819-
Dihydroclavaminic acidDihydroclavaminic acidME414565-C0665912.3968727-
SlaframineSlaframineME414566-C061857.115016595-
3-Isopropylbut-3-enoic acid-ME414567-C1195011.51657992-
5-Hydroxyferulate-ME414568-C056197.25376001-
3,5-dihydroxyanisole-ME414569--4.308767935-
6-endo-Hydroxycineole6-endo-HydroxycineoleME414570-C030924.378615535-
4-Hydroxycinnamyl alcohol 4-D-glucoside-ME414571-C058554.44859599-
Xanthoxin-ME414572-C134533.750724161-
6alpha-Hydroxy-castasterone6alpha-HydroxycastasteroneME414573-C158033.570834435-
Ferulatetrans-Ferulic acidME414574-C014947.041983365-
2-Methylcitrate2-Methylcitric acidME414575-C0222517.68877055-
Maleic acidMaleic acidME414576-C0138412.94488436-
N-AcetylneuraminateN-Acetylneuraminic acidME414577-C0027013.50312842-
3-Phospho-D-glycerate3-Phosphoglyceric acidME414578-C0019717.41008851-
D-RiboseRiboseME414579-C0012114.80850106-
D-Glucose 6-phosphateGlucose 6-phosphateME414580-C0009217.04152657-
(R,R)-Tartaric acidTartaric acidME414581-C0089818.46332173-
UDP-glucuronateUDP-glucuronic acidME414582-C0016719.88838094-
AscorbateVitamin CME414583-C0007214.79061856-
L-Fucose 1-phosphateFucose 1-phosphateME414584-C0298513.58488552-
SuccinateSuccinic acidME414585-C0004215.60585004-
(R)-LactateLactic acidME414586-C0025614.91860411-
D-GlucoseGlucoseME414587-C0022114.63761663-
D-XyluloseL-RibuloseME414588-C0031013.21996844-
cis-Aconitatecis-Aconitic acidME414589-C0041718.76871609-
meso-Tartaric acidMeso-tartaric acidME414590-C0055216.15565747-
CitrateCitric acidME414591-C0015818.88170131-
D-MannoseMannoseME414592-C0015913.61322312-
UDP-glucoseUDP-glucoseME414593-C0002916.70382022-
D-Glucono-1,5-lactoneGluconolactoneME414594-C0019815.88086247-
Propanoyl phosphatePropanoyl phosphateME414595-C0287611.80625517-
OxalateOxalic acidME414596-C0020918.52255172-
D-Fructose 6-phosphateFructose 6-phosphateME414597-C0008516.20181234-
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME414598-C0020315.3269678-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME414599-C0162012.94379044-
XylitolXylitolME414600-C0037912.82644002-
D-GlucarateGlucaric acidME414601-C0081817.61722209-
L-ArabinoseLyxoseME414602-C0025912.08921309-
2,5-Dioxopentanoate-ME414603-C0043312.7291499-
2-Acetolactate2-AcetolactateME414604-C009007.273097685-
GlycerolGlycerolME414605-C0011610.22041784-
3-Ethylmalate-ME414606-C0198913.90785308-
3,5/4-Trihydroxycyclohexa-1,2-dioneOxoadipic acidME414607-C0428710.17820971-
6-Phospho-D-gluconate6-Phosphogluconic acidME414608-C0034518.17953867-
D-ErythroseErythroseME414609-C0179610.46952469-
DiacetylDiacetylME414610-C007417.542513249-
D-SorbitolSorbitolME414611-C0079413.76815526-
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate-ME414612-C0454613.33638696-
D-XylonolactoneD-Xylono-1,5-lactoneME414613-C0226615.63266289-
MesaconateMesaconic acidME414614-C0173213.08250529-
4-Hydroxybutanoic acid4-Hydroxybutyric acidME414615-C009898.165912023-
Methyloxaloacetate-ME414616-C060308.017982363-
(R)-2-Ethylmalate-ME414617-C0248810.23070689-
(S)-MalateMalic acidME414618-C0014916.56975694-
SalicinSalicinME414619-C014517.306876333-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME414620-C0538216.44566561-
PhosphoenolpyruvatePhosphoenolpyruvic acidME414621-C0007418.25274503-
GDP-mannoseGDP-mannoseME414622-C0009618.61642268-
3-O-Methyl-myo-inositol-ME414623-C0366010.56526493-
D-Ribose 5-phosphateRibose 5-phosphateME414624-C0011715.89251017-
D-XylonateXylonic acidME414625-C0050213.55932782-
PyruvatePyruvic acidME414626-C000228.523039088-
(S)-LactateLactic acidME414627-C001869.848942478-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME414628-C0011816.46904215-
GDP-L-fucoseGDP-L-fucoseME414629-C0032517.96898725-
D-FructoseFructoseME414630-C0009517.1509425-
L-Lyxonate-ME414631-C0541213.94091003-
UDP-D-xyloseUDP-D-xyloseME414632-C0019016.62510005-
ArbutinArbutinME414633-C061867.18979063-
2-Oxoglutarate2-Oxoglutaric acidME414634-C0002616.22181672-
D-Gluconic acidGluconic acidME414635-C0025714.48719399-
L-Rhamnono-1,4-lactoneL-Rhamnono-1,4-lactoneME414636-C029918.053471848-
D-MannonateMannonic acidME414637-C0051414.05216268-
1-O-Methyl-myo-inositol-ME414638-C0365913.39535082-
(R)-S-LactoylglutathioneS-LactoylglutathioneME414639-C034519.951114126-
ADPADPME414640-C0000815.13769588-
OrthophosphatePhosphoric acidME414641-C0000914.39463112-
NADHNADHME414642-C0000413.40831437-
FMNFMNME414643-C0006111.21693342-
ATPATPME414644-C0000216.59984594-
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME414645-C0035418.52401123-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME414646-C0567414.04927495-
2-C-Methyl-D-erythritol 4-phosphate-ME414647-C1143414.32749493-
TaurocholateTaurocholic acidME414648-C0512227.36909762-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME414649-C1348214.61138575-
Tetradecanoic acidMyristic acidME414650-C064243.73970058-
Dodecanoic acidLauric acidME414651-C026793.804783341-
Decanoic acidCapric acidME414652-C015713.932760936-
Hexadecanoic acidPalmitic acidME414653-C002493.694028727-
GlycochenodeoxycholateGlycochenodeoxycholic acidME414654-C054664.383136156-
Octadecanoic acidStearic acidME414655-C015303.656535059-
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME414656-C0121014.68212365-
AcetoacetateAcetoacetic acidME414657-C001647.296583329-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME414658-C0009315.06316774-
Tetracosanoic acidLignoceric acidME414659-C083203.578591945-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME414660-C0123315.40392895-
TaurineTaurineME414661-C0024515.31563637-
FA(16:1)Hexadecenoic acidME414662-C083623.703372412-
CDP-ethanolamineCDP-EthanolamineME414663-C0057016.24223567-
GlutarateGlutaric acidME414664-C0048914.46653171-
12-OPDA12-OPDAME414665-C012263.834887684-
O-Palmitoyl-R-carnitineCAR 16:0ME414666-C029903.794954602-
FA (13:1) tridecenoic acidTridecenoic acidME414667--3.819621847-
2S-Hydroxytetradecanoic acid2-Hydroxymyristic acidME414668-C137903.875895419-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME414669--3.754013346-
2-ButenoateCrotonic acidME414670-C0177112.931687-
FA (7:1) heptenal-ME414671--4.857239628-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME414672-C165263.641423543-
FA methyl(6:1)-ME414673--6.389518405-
[FA hydroxy(10:0)] 3-hydroxy-decanoic acid3-Hydroxydecanoic acidME414674--3.987604014-
FA methyl(18:0)-ME414675--3.658820694-
FA methyl(14:0) dodecanedioic acidDodecanedioic acidME414676--4.820798817-
[FA oxo(5:0)] 3-oxo-4-pentenoic acid3-Oxo-4-pentenoic acidME414677--6.24809309-
[FA] Methyl jasmonateMethyl jasmonateME414678-C115124.041386773-
[FA (25:0)] pentacosanoic acidHyenic acidME414679--3.575051833-
FA oxo(16:0)-ME414680--3.75825518-
[FA oxo(7:0)] 2-oxo-heptanoic acid-ME414681--6.287229884-
FA methyl(8:0)-ME414682--4.028498858-
FA hydroxy(6:0)-ME414683--4.809753471-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME414684-C064273.69982241-
FA hydroxy(12:0) dodecanoic acidLauric acidME414685--4.270736203-
Suberic acidSuberic acidME414686-C0827811.02427926-
[FA hydroxy(18:1)] 9,10-dihydroxy-12Z-octadecenoic...9,10-DiHOMEME414687-C148283.828017803-
FA methyl(16:0)] tetradecanedioic acid-ME414688--7.235556328-
FA (20:0)Arachidic acidME414689-C064253.635153453-
[FA (7:0/2:0)] Heptanedioic acidPimelic acidME414690-C0265613.48030076-
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D...-ME414691--4.035185865-
[FA oxo(16:2)] cyclopentanehexanoic acid-ME414692--3.828020118-
FA dioxo(10:0)-ME414693--4.408666633-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME414694--4.09451436-
[FA (22:1)] 13Z-docosenoic acidcis-Erucic acidME414695-C083163.6272655-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME414696-C007123.669228161-
Hexanoic acidCaproic acidME414697-C015854.761333825-
FA methyl(12:0) dodecanoic acidLauric acidME414698--3.781901734-
FA (17:0)Margaric acidME414699--3.67793908-
FA methyl(14:0)-ME414700-C166653.718565527-
[FA (14:0/2:0)] Tetradecanedioic acidTetradecanedioic acidME414701-C110024.770345412-
FA (22:0)Behenic acidME414702--3.859635433-
FA hydroxy(24:0)TraumatinME414703--3.615467707-
FA hydroxy(16:0)] hexadecanoic acid-ME414704--3.811186788-
FA methyl(6:0)-ME414705--4.467447706-
5-Hydroxypentanoate5-Hydroxyvaleric acidME414706-C028047.260234473-
FA hydroxy(10:0)-ME414707--4.628606336-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME414708--4.119024976-
[FA methyl(14:0/2:0)] 3-methyl-tetradecanedioic ac...3-Methyl-tetradecanedioic acidME414709--4.7389385-
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...9,12,13-TriHOMEME414710-C148334.246716089-
[FA hydroxy,methoxy(18:0)] 12,13-dihydroxy-11-meth...12,13-Dihydroxy-11-methoxy-9-octadecenoic acidME414711--4.229789847-
FA (8:0) octanoic acidCaprylic acidME414712-C064234.21438161-
5S-HETE di-endoperoxide5S-HETE di-endoperoxideME414713--3.948110767-
[FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic ...-ME414714--7.046764365-
FA oxo(18:0)-ME414715--3.720993691-
Triacontanedioic acidTriacontanedioic acidME414716--3.530661774-
[FA (18:2)] octadecadienoic acidOctadecadienoic acidME414717-C047173.777418965-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid4,7-Dioxo-octanoic acidME414718--4.795583317-
FA (12:1) Decenedioic acidDecenedioic acidME414719--4.770057976-
[FA hydroxy(10:0)] 3R-hydroxy-decanoic acid3R-hydroxydecanoic acidME414720--7.120700547-
3-Oxododecanoic acid3-Oxododecanoic acidME414721-C023674.044720696-
[FA methyl(16:0)] 14-methyl-hexadecanoic acid-ME414722--7.064905171-
Pentadecanoic acidPentadecylic acidME414723-C165377.084681053-
[FA methyl,hydroxy,oxo(18:0)]octadecenoate-ME414724--3.800369161-
[FA (13:0/2:0)] Tridecanedioic acidTridecanedioic acidME414725--7.292814373-
[FA (11:0/2:0)] Undecanedioic acidUndecanedioic acidME414726--9.333502864-
Prostaglandin F1alphaPGF1alphaME414727-C064753.812766686-
FA methyl (7:1)-ME414728--6.048377552-
3-Hydroxysubericacid3-Hydroxysuberic acidME414729--7.958183902-
3-Hydroxydodecanedioicacid3-Hydroxy-dodecanedioic acidME414730--4.537021839-
FA oxo(21:0)-ME414731--3.678451029-
[FA methyl(12:0/2:0)] 2-methyl-dodecanedioic acid-ME414732--3.993369548-
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME414733--4.297270659-
[FA hydroxy(18:1)] 12,13-dihydroxy-9Z-octadecenoic...12,13-DiHOMEME414734-C148294.368550575-
[FA (11:0)] undecanoic acidUndecylic acidME414735--3.892236784-
[FA methyl(12:1)] 2-methyl-2-dodecenoic acid-ME414736--4.8834902-
FA hydroxy(7:0)-ME414737--4.752437934-
FA oxo(22:0)-ME414738--3.615735297-
[FA (8:0)] octanoic acidCaprylic acidME414739-C064237.069690818-
FA (9:1) nonynoic acid-ME414740--6.205417221-
FA oxo(12:1)TraumatinME414741-C163093.969958619-
[FA trihydrox] 9S,11R,15S-trihydroxy-2,3-dinor-13E...-ME414742-C147953.858463208-
FA hydroxy(15:0)-ME414743--3.863509211-
FA oxo(7:0)-ME414744--7.289812057-
3-Methylbutanoic acidIsovaleric acidME414745-C082627.239759195-
[FA methyl(18:0)] methyl 10,12,13,15-bisepidioxy-1...-ME414746--3.858572552-
FA (8:1)Octenoic acidME414747--4.643149435-
3,3-dichloro-propionic acid-ME414748--6.544367845-
FA oxo(10:0)-ME414749--4.518597096-
FA hydroxy(13:0) tridecanoic acidTridecylic acidME414750--4.075027001-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME414751--3.864214939-
3-Hydroxyisoheptanoicacid3-Hydroxyisoheptanoic acidME414752--6.230334999-
[FA hydroxy(11:1)] undecenoic acidUndecenoic acidME414753--4.192181598-
9-Oxononanoic acid9-Oxo-nonanoic acidME414754-C163223.718347703-
FA oxo(8:0) oxo-octanoic acid-ME414755--8.335234561-
FA (13:2) tridecadienoic acidTridecadienoic acidME414756--3.823290261-
3-Hexenal3-HexenalME414757-C163107.272459219-
FA dimethyl(14:0)-ME414758--7.084032747-
Tetranor-PGF1alphaTetranor-PGF1alphaME414759--4.127267833-
FA hydroxy(18:0)-ME414760--3.739135646-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME414761--4.349233912-
[FA methyl(20:2)] eicosadienoate11Z,14Z-Eicosadienoic acidME414762--3.880910761-
1,9S,11R,15S-tetrahydroxy-13E-prostaene-ME414763--3.84155747-
FA (3:0) chloro-propanoic acid-ME414764--7.300473822-
[FA methyl(14:0/2:0)] 5-methyl-tetradecanedioic ac...-ME414765--3.922532189-
Axillarenic acid-ME414766--3.59765476-
[FA hydroxy(11:0)] undecanoic acidUndecylic acidME414767--3.96057885-
[FA methyl(13:0/2:0)] 2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME414768--6.063335638-
1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-...-ME414769--4.301630947-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME414770--7.118862745-
MG(0:0/20:2(11Z,14Z)/0:0)MG 0:0/20:2(11Z,14Z)/0:0ME414771--3.665543332-
MG(0:0/18:1(11Z)/0:0)MG 0:0/18:1(11Z)/0:0ME414772--3.775852933-
TriacetinTriacetinME414773--5.995784063-
MG(0:0/14:1(9Z)/0:0)MG 0:0/14:1(9Z)/0:0ME414774--4.373881636-
MG(14:1(9Z)/0:0/0:0)MG 14:1(9Z)/0:0/0:0ME414775--7.180668938-
MG(0:0/16:1(9Z)/0:0)MG 0:0/16:1(9Z)/0:0ME414776--4.073186195-
MG(0:0/24:1(15Z)/0:0)MG 0:0/24:1(15Z)/0:0ME414777--3.554261877-
PA(P-42:4)PA P-42:4ME414778--3.954976003-
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosp...LPA 16:0ME414779-C004164.413823845-
PI(38:3)PI 38:3ME414780--3.538096513-
PS(36:1)PS 36:1ME414781--3.529472473-
PI(38:4)PI 38:4ME414782--3.533178029-
PI(38:2)PI 38:2ME414783--3.518527208-
PS(36:2)PS 36:2ME414784--3.560776175-
LysoPE(16:1)LPE 16:1ME414785--4.460892311-
PS(34:1)PS 34:1ME414786--3.577588542-
PS(32:1)PS 32:1ME414787--3.564085715-
PI(36:2)PI 36:2ME414788--3.553102366-
PI(34:1)PI 34:1ME414789--3.558577383-
[Fv] Praecanson A-ME414790--7.769635434-
5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyi...-ME414791--7.226736879-
Dalpalatin-ME414792--4.813697443-
6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-...-ME414793--3.940127071-
[Fv] Isochamanetin-ME414794--9.64043986-
Isouvaretin-ME414795-C097594.269488508-
Mundulone-ME414796--3.869053109-
Eruberin A-ME414797--3.915195847-
dihydrophaseic acid 4-O-beta-D-glucoside-ME414798--4.767369811-
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME414799-C007773.829029036-
[PR] 4-Hydroxymytiloxanthin-ME414800--5.303232772-
8-Epiiridotrial glucoside8-Epiiridotrial glucosideME414801-C116524.525713831-
[PR] Flakinin A-ME414802--3.964235142-
8-Epiiridodial glucoside8-Epiiridodial glucosideME414803-C116564.55543732-
[PR] (-)-CarvoneCarvoneME414804-C017674.384046015-
[SL (6:0/6:0)] 2,3-di-0-hexanoyl-alpha-glucopyrano...-ME414805--3.991748234-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...Chenodeoxycholic acidME414806-C025284.382776423-
[ST hydrox] N-(3alpha,7alpha-dihydroxy-5beta-chola...Taurochenodeoxycholic acidME414807-C054654.066772219-
UrsodiolUrsodeoxycholic acidME414808-C078807.171172973-
4-Methylpentanal4-MethylpentanalME414809-C023733.972452757-
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside-ME414810--3.91079305-
PIPES-ME414811--14.9720022-
PhenolsulfonphthaleinPhenolsulfonphthaleinME414812-C126007.261359024-
a Cysteine adduct-ME414813--7.197657698-
FolateFolic acidME414814-C0050417.12314589-
MaleamateMaleamateME414815-C015967.325339622-
4-Pyridoxolactone4-PyridoxolactoneME414816-C009719.843543603-
Methylitaconate-ME414817-C022957.286683918-
7-oxoheptanoate-ME414818-C165904.780574685-
2-Methyleneglutarate-ME414819-C029308.968786832-
BiotinBiotinME414820-C001208.641336823-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME414821-C011253.939821862-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME414822-C0469020.60858999-
UrateUric acidME414823-C0036613.01566238-
2',3'-Cyclic CMP2',3' cyclic CMPME414824-C0235412.65857119-
N-Carbamoyl-L-aspartateCarbamoylaspartateME414825-C0043817.27885713-
2',3'-Cyclic UMP2',3' cyclic UMPME414826-C0235510.8380266-
5,6-DihydrothymineDihydrothymineME414827-C0090612.28089871-
Aminoimidazole ribotideAIRME414828-C0337316.38363876-
XanthineXanthineME414829-C0038511.51236045-
UDPUDPME414830-C0001516.85280215-
CDPCDPME414831-C0011217.2969045-
GTPGTPME414832-C0004419.7259554-
PseudouridinePseudouridineME414833-C0206711.80165682-
dATPdATPME414834-C0013115.5901559-
GMPGMPME414835-C0014416.87242306-
3'-UMP3'-UMPME414836-C0136818.22324344-
dTTPdTTPME414837-C0045916.14673585-
UTPUTPME414838-C0007518.2318854-
3'-AMP3'-AMPME414839-C0136716.53667715-
GDPGDPME414840-C0003518.3051562-
CTPCTPME414841-C0006318.65096653-
Pseudouridine 5'-phosphate-ME414842-C0116816.81703851-
dGDPdGDPME414843-C0036116.57743165-
dGMPdGMPME414844-C0036215.09114232-
dADPdADPME414845-C0020615.59005886-
IMPIMPME414846-C0013015.49765754-
Xanthosine 5'-phosphateXMPME414847-C0065518.56633321-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME414848-C0528315.17846487-
L-beta-aspartyl-L-alaninebeta-AspartylalanineME414849--15.79967855-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME414850--10.78100456-
L-gamma-glutamyl-L-leucinegamma-GlutamylleucineME414851--11.22390234-
L-beta-aspartyl-L-glutamicacid-ME414852--17.96860226-
L-beta-aspartyl-L-threonine-ME414853--15.78330221-
Asp-CysAsp-CysME414854--15.32574493-
Ile-AsnIle-AsnME414855--9.644429403-
Asp-Thr-Cys-Cys-ME414856--16.58016472-
Asp-Asp-Gly-His-ME414857--12.75617857-
Gln-Leu-Lys-Tyr-ME414858--16.99643758-
Lys-Lys-Lys-Trp-ME414859--12.90079427-
Ile-Lys-Gln-Tyr-ME414860--27.6739885-
Arg-Leu-Lys-Thr-ME414861--28.1337356-
Asp-Cys-Gln-Tyr-ME414862--10.6348584-
Glu-Lys-Lys-Phe-ME414863--16.28777349-
Ala-Met-Val-Pro-ME414864--8.282733345-
Asp-Met-Met-Pro-ME414865--8.523178179-
Asn-Lys-Lys-Lys-ME414866--16.51466339-
Ala-Ala-Asn-Gly-ME414867--14.85588338-
Asp-Phe-Gly-Gly-ME414868--14.82125566-
Trp-Asp-GlyTrp-Asp-GlyME414869--15.83319217-
Met-Val-HisMet-Val-HisME414870--12.77374262-
Met-Thr-AspMet-Thr-AspME414871--13.21961497-
Ile-Ala-SerIle-Ala-SerME414872--11.03219878-
Ala-Asp-CysAla-Asp-CysME414873--15.47916406-
Glu-Met-ThrGlu-Met-ThrME414874--12.10826283-
Met-Asp-ProMet-Asp-ProME414875--14.91839447-
5-Phenyl-1,3-oxazinane-2,4-dione-ME414876-C165964.584219299-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME414877-C006337.232852857-
4-Hydroxyphenylglyoxylate-ME414878-C0359013.39452413-
CyclohexanoneCyclohexanoneME414879-C004144.089583903-
DihydrophloroglucinolDihydrophloroglucinolME414880-C0671914.04236298-
2-Hydroxy-cis-hex-2,4-dienoate-ME414881-C113547.607436222-
PhthalatePhthalic acidME414882-C0160615.62307543-
Chloroacetic acid-ME414883-C067558.606178928-
TerephthalateTerephthalic acidME414884-C0633715.97346847-
cis-Acetylacrylate-ME414885-C070917.271443667-
3-Ethylcatechol3-EthylcatecholME414886-C067284.860877188-
2-MaleylacetateMaleylacetic acidME414887-C022229.031488482-
Cyclohexane-1-carboxylate-ME414888-C098225.84706784-
ErythritolErythritolME414889-C0050311.66618131-
Azelaic acidAzelaic acidME414890-C0826111.04253393-
AcetylcysteineN-AcetylcysteineME414891-C068098.096209571-


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