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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-Methylnicotinamide1-Methyl nicotinamideME304825-C0291822.64907139-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME304758-C0391213.24390209-
LL-2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME304818-C0066614.25910065-
(S)C(S)S-S-Methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME304733--9.552025859-
[FA amino(14:0)] 2-amino-tetradecanoic acid2-Aminotetradecanoic acidME304577--4.369489136-
Furfural2-FurancarboxaldehydeME304751-C1427914.93411108-
2-Oxoglutaramate2-Keto-glutaramic acidME304761-C009408.742396884-
(±)-2-Methylthiazolidine2-MethylthiazolidineME304734--10.7723674-
Phenylethyl alcohol2-PhenylethanolME304827-C058534.824064128-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME304774-C0603413.19698842-
2S-hydroxy-butanoic acid2S-Hydroxybutyric acidME304729--5.004683346-
3',5'-Cyclic AMP3',5' cyclic AMPME304479-C005759.692248438-
(24R,24'R)-Fucosterol epoxide(3beta,24R,24'R)-Fucosterol epoxideME304664-C039103.985552149-
3-Butynoate3-Butynoic acidME304721-C061448.475461098-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME304662--3.859588476-
3-Methylguanine3-MethylguanineME304797-C0223012.82301309-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME304862-C0026812.74952068-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME304799-C0368011.33768325-
4-Methylene-L-glutamine4-Methylene-glutamineME304766-C011099.182177979-
4-Pyridoxolactone4-PyridoxolactoneME304854-C0097110.27497768-
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME304511-C064145.030222236-
dihydrothymidine5,6-DihydrothymidineME304491--9.204868232-
5-Acetamidopentanoate5-Acetamidovaleric acidME304814-C0308713.05740606-
5-Hydroxyconiferaldehyde5-HydroxyconiferaldehydeME304476-C122045.052293057-
5-Hydroxy-N-formylkynurenine5-Hydroxy-N-formylkynurenineME304515-C056488.471133253-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME304513-C0064310.74574253-
5'-Methylthioadenosine5'-MethylthioadenosineME304519-C001707.800057959-
D-Glucono-1,5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME304777-C0123617.78015892-
7,8-benzoflavone7,8-BenzoflavoneME304629--5.489244456-
(Ac)2-L-Lys-D-Ala-D-Ala(Ac)2-L-Lysyl-D-alanyl-D-alanineME304599-C0332614.38736504-
AcetylcholineAcetylcholineME304821-C0199613.48208468-
Acetyl phosphateAcetylphosphateME304667-C0022716.32926665-
AdenineAdenineME304752-C001479.743547567-
AdenosineAdenosineME304481-C002129.301673816-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME304562-C0379418.26696826-
ADPADPME304489-C0000815.28347778-
Ala-Ala-AlaAla-Ala-AlaME304875--16.39686439-
Alanyl-AspartateAla-AspME304811--10.91979703-
Ala-Asp-ArgAla-Asp-ArgME304558--15.32639674-
Ala-Asp-AspAla-Asp-AspME304523--16.94924602-
Ala-Asp-SerAla-Asp-SerME304499--15.87424999-
L-AlanineAlanineME304687-C0004114.87567838-
Ala-ProAla-ProME304835--11.50323382-
L-2-Aminoadipatealpha-Aminoadipic acidME304772-C0095611.17559247-
AMPAMPME304485-C0002013.9146945-
L-ArginineArginineME304788-C0006223.34054048-
Asn-AspAsn-AspME304832--15.90911734-
L-AsparagineAsparagineME304728-C0015215.34094603-
Asp-ArgAsp-ArgME304506--18.26160317-
Aspartyl-GlutamineAsp-GlnME304871--11.84299995-
Asp-Gly-ArgAsp-Gly-ArgME304547--17.76063484-
Aspartyl-L-prolineAsp-ProME304865--15.53031267-
Asp-Ser-SerAsp-Ser-SerME304500--17.13030938-
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME304885-C0534016.38086427-
Betaine aldehydeBetaine aldehydeME304737-C0057628.27145953-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME304757--13.99891669-
Bis-gamma-glutamylcystineBis-gamma-glutamylcystineME304596-C0364617.81219037-
HexadecasphinganineC16 SphinganineME304611-C139157.827953181-
Caffeic acid 4-O-glucuronideCaffeic acid 4-O-glucuronideME304578--15.86311738-
Calystegin B2Calystegin B2ME304816-C1085112.86685708-
CaproylcholineCaproylcholineME304537--7.919492456-
O-AcetylcarnitineCAR 2:0ME304877-C0257111.17577576-
O-PropanoylcarnitineCAR 3:0ME304507-C030179.936048535-
O-ButanoylcarnitineCAR 4:0ME304535-C028628.97243939-
2-MethylbutyroylcarnitineCAR 4:0;2MeME304549--8.325457563-
N-Carbamyl-L-glutamateCarglumic acidME304768-C0582916.64296667-
L-CarnitineCarnitineME304822-C0048713.43166833-
CDP-cholineCDP-cholineME304572-C0030715.47555629-
N-(2-hydroxytridecanoyl)-phytosphingosineCer 18:0;O3/13:0;OME304670--3.931562672-
N-(2-hydroxypentadecanoyl)-phytosphingosineCer 18:0;O3/15:0;OME304671--3.954294199-
CholineCholineME304747-C0011419.59035349-
Choline phosphateCholine phosphateME304748-C0058815.02221816-
CinnamaldehydeCinnamaldehydeME304892-C009034.370561273-
Cinnamyl alcoholCinnamyl alcoholME304856-C023944.326041421-
L-CitrullineCitrullineME304782-C0032716.0041495-
CMPCMPME304866-C0005515.95399441-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME304571-C0567414.52096979-
ConvicineConvicineME304488-C0843017.49491248-
3,3',4',5,7-Pentahydroxy-8-methoxyflavoneCorniculatusinME304591-C0452714.61932853-
CreatineCreatineME304730-C0030014.77222984-
CreatinineCreatinineME304725-C007919.93103237-
2-ButenoateCrotonic acidME304724-C0177115.58354246-
CTPCTPME304874-C0006318.50177002-
L-CystathionineCystathionineME304819-C0229117.15618238-
L-CystineCystineME304779-C0049116.35067406-
CytidineCytidineME304861-C0047512.06935438-
dAMPdAMPME304484-C0036012.99000162-
DethiobiotinDethiobiotinME304502-C0190910.28535471-
5,6-DihydrothymineDihydrothymineME304762-C0090614.89193784-
3-Cyano-L-alanineDihydrouracilME304722-C0251228.08184851-
2,3-DimethylmaleateDimethyl maleateME304800-C0092214.61372211-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME304882-C0402012.16730369-
Nicotinate D-ribonucleosideD-RibosylnicotinateME304516-C0584113.22751673-
dTMPdTMPME304487-C0036413.11776094-
[FA (20:5)] N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)...Eicosapentenoyl-EAME304653--3.905978575-
EPC(d34:1)EPC 34:1;O2ME304673--7.753551774-
Arg-OEtEthyl arginateME304850-C0140420.96746917-
FADFADME304661-C0001611.55435873-
flaviolinFlaviolinME304510-C1801215.71420559-
FMNFMNME304613-C0006111.66444504-
FolateFolic acidME304631-C0050416.76204538-
N-Formimino-L-glutamateFormiminoglutamic acidME304767-C0043912.25049061-
4-Aminobutanoategamma-Aminobutyric acidME304731-C0033415.47207534-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME304838-C0066914.26471432-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME304497-C0528315.33916539-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME304529--11.25812781-
Gammaglutamylornithinegamma-GlutamylornithineME304505--16.95319039-
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME304884-C1569916.43143499-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME304873-C0569516.33001031-
Gamma-Glutamyltyrosinegamma-GlutamyltyrosineME304561--13.91358967-
gamma-Undecalactonegamma-UndecalactoneME304530-C085714.402825419-
GDPGDPME304490-C0003518.00257152-
GDP-mannoseGDP-mannoseME304594-C0009618.20872212-
Glu-Ala-GluGlu-Ala-GluME304553--13.27650321-
Glu-ArgGlu-ArgME304534--15.13325152-
Glu-Arg-ProGlu-Arg-ProME304601--14.36942851-
Glu-Asp-IleGlu-Asp-IleME304584--11.58477701-
Glu-Asp-ProGlu-Asp-ProME304564--13.94967545-
Glu-Asp-ValGlu-Asp-ValME304566--12.36454041-
D-GlucosamineGlucosamineME304785-C0032914.66215558-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME304786-C0375217.12609985-
GlucosylgalactosylhydroxylysineGlucosylgalactosyl hydroxylysineME304624--21.7406746-
Glu-Gln-ProGlu-Gln-ProME304582--10.72514358-
Glu-GluGlu-GluME304493-C0142516.85830156-
Glu-Glu-GluGlu-Glu-GluME304580--18.05468285-
Glu-Gly-MetGlu-Gly-MetME304545--10.49324116-
Glu-MetGlu-MetME304504--12.15754685-
Glu-Met-SerGlu-Met-SerME304556--13.43576835-
L-GlutamateGlutamic acidME304765-C0002514.84051409-
L-GlutamineGlutamineME304735-C0006415.16381956-
GlutathioneGlutathioneME304498-C0005114.47154879-
Gly-ArgGly-ArgME304846--16.95500747-
Glycyl-AsparagineGly-AsnME304769--10.41491974-
Glycyl-HistidineGly-HisME304831--9.758787891-
GlycylprolineGly-ProME304810--12.85020291-
GMPGMPME304486-C0014416.79643652-
GTPGTPME304494-C0004419.47603188-
GuanidinoacetateGuanidoacetic acidME304686-C0058115.87993891-
GuanineGuanineME304753-C0024212.47706669-
GuanosineGuanosineME304482-C0038712.76581823-
HEPESHEPESME304849--10.85862276-
HomoarginineHomoarginineME304823-C0192422.06863208-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME304527-C0454411.0782536-
2-Aminobutan-4-olideHomoserine lactoneME304726-C029268.872240425-
p-BenzenediolHydroquinoneME304796-C0053014.03220156-
HypotaurineHypotaurineME304668-C0051915.09485081-
HypoxanthineHypoxanthineME304750-C0026210.36909292-
Ile-Ala-GlyIle-Ala-GlyME304531--14.21423887-
Ile-Ala-ValIle-Ala-ValME304575--11.05272696-
Ile-Arg-GlyIle-Arg-GlyME304576--21.92495233-
Ile-CysIle-CysME304881--12.93290443-
Ile-Cys-GlyIle-Cys-GlyME304532--13.87484848-
Ile-Gly-MetIle-Gly-MetME304559--12.01637142-
Ile-Lys-ProIle-Lys-ProME304616--21.03158734-
Ile-ThrIle-ThrME304509--21.29059526-
Ile-Val-ValIle-Val-ValME304608--15.56718246-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME304755-C051307.727199994-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME304483-C0513112.91042146-
IndoleIndoleME304853-C0046310.36151709-
InosineInosineME304478-C0029411.08742458-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME304776-C0429916.86872472-
IsolinderanolideIsolinderanolideME304649--3.786396814-
(-)-Jasmonic acidJasmonic acidME304542-C084914.556485852-
L-Lysine 1,6-lactamL-2-aminohexano-6-lactamME304778-C0283712.73377877-
L-LeucineLeucineME304783-C0012311.37332566-
Leu-Gly-ProLeu-Gly-ProME304555-C0183313.79749843-
Leu-ProLeu-ProME304528--13.21743409-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME304764-C011659.011207627-
LysoPE(18:0)LPE 18:0ME304657--7.737122175-
LysoPE(P-16:0)LPE P-16:0ME304652--7.73067253-
Lys-Asn-GlyLys-Asn-GlyME304548--14.19896667-
L-LysineLysineME304787-C0004722.48779297-
Lys-ValLys-ValME304536--21.8038333-
Lys-Val-ProLys-Val-ProME304605--14.05829521-
MannitolMannitolME304789-C0039213.949898-
D-Mannitol 1-phosphateMannitol 1-phosphateME304792-C0064416.08804917-
MethacholineMethacholineME304847-C0747113.48865003-
L-MethionineMethionineME304739-C0007311.67046116-
DL-Methionine sulfoneMethionine sulfoneME304743--11.91821662-
L-Methionine S-oxideMethionine sulfoxideME304741-C0298913.46260071-
2-(Methylthio)ethanesulfonateMethyl-CoMME304689-C039208.82028329-
Met-Phe-ValMet-Phe-ValME304632--12.62987501-
MG(0:0/16:0/0:0)MG 0:0/16:0/0:0ME304636--4.281136661-
Noladin EtherMG 0:0/20:4(5Z,8Z,11Z,14Z)/0:0ME304656--3.651586514-
1-O-Hexadecyl-sn-glycerolMG O-16:0ME304637-C138594.286183312-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME304592-C033434.195223236-
Muramic acidMuramic acidME304879-C0647015.94513327-
N-Succinyl-L-glutamateN2-SuccinylglutamateME304863-C0593117.45358712-
N2-Succinyl-L-ornithineN2-SuccinylornithineME304872-C0341514.66623424-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME304843-C0395511.05133882-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME304848-C0554520.89784924-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME304889-C0379321.29290734-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME304833-C1298611.98816664-
N-acetyl-(L)-arginineN-AcetylarginineME304844--14.91304385-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME304521-C1227016.72084113-
N-Acetyl-L-glutamateN-Acetylglutamic acidME304809-C0062414.15315149-
N-AcetyllactosamineN-AcetyllactosamineME304570-C0061113.89624217-
N-Acetyl-D-mannosamineN-Acetyl-mannosamineME304841-C0064511.95702374-
N-AcetylmethionineN-AcetylmethionineME304815-C0271211.9083539-
N-AcetylserotoninN-AcetylserotoninME304538-C009785.310801049-
NAD+NADME304646-C0000314.29489833-
NADP+NADPME304647-C0000616.83612685-
NADPHNADPHME304648-C0000517.13797607-
N-CaffeoylputrescineN-CaffeoylputrescineME304551-C0300211.86533973-
Neuraminic acidNeuraminic acidME304880-C0646916.95321423-
N-FormiminoglycineN-FormimidoylglycineME304685-C0271812.40395676-
L-FormylkynurenineN-Formyl-L-kynurenineME304514-C0270012.15135067-
N-HeptanoylglycineN-HeptanoylglycineME304876--5.260796441-
N-hydroxyisoleucineN-hydroxyisoleucineME304784--8.566061232-
NicotinamideNiacinamideME304794-C001537.858878766-
nicotinamide ribosideNicotinamide ribosideME304517--22.52851592-
Nicotinamide D-ribonucleotideNicotinamide ribotideME304518-C0045515.36371668-
NicotinateNicotinic acidME304793-C002538.01049792-
FA (9:2) nonadienoic acidNonadienoic acidME304868--5.098789901-
NorepinephrinesulfateNorepinephrine sulfateME304829--18.90524976-
N-Succinyl-LL-2,6-diaminoheptanedioateN-Succinyl-L,L-2,6-diaminopimelateME304526-C0442112.89996512-
N-UndecanoylglycineN-UndecanoylglycineME304560--4.774793691-
OctylamineOctylamineME304851-C017407.863447478-
O-Phospho-L-homoserineO-PhosphohomoserineME304720-C0110215.79713653-
L-OrnithineOrnithineME304744-C0007721.80761632-
O-Succinyl-L-homoserineo-SuccinylhomoserineME304834-C0111813.9382805-
Glutathione disulfideOxidized glutathioneME304643-C0012717.47884909-
PA(41:5)PA 41:5ME304702--3.687004768-
PA(43:6)PA 43:6ME304709--3.675994461-
PantothenatePantothenic acidME304878-C008648.940258142-
PC(29:1)PC 29:1ME304676--4.787819006-
PC(30:1)PC 30:1ME304679--4.200503177-
PC(32:1)PC 32:1ME304692-C001574.847166661-
PC(34:2)PC 34:2ME304697--4.132713582-
PC(34:3)PC 34:3ME304696--4.125041296-
PC(34:4)PC 34:4ME304695--4.118963466-
PC(36:2)PC 36:2ME304706--4.151553763-
PC(36:4)PC 36:4ME304705--4.074510504-
PC(38:4)PC 38:4ME304711--4.465710328-
PC(40:4)PC 40:4ME304718--4.045746855-
PC(40:5)PC 40:5ME304717--4.029251343-
PE(32:0)PE 32:0ME304677--4.058973028-
PE(33:0)PE 33:0ME304680--4.911418249-
PE(35:2)PE 35:2ME304690--4.605473836-
PE(36:2)PE 36:2ME304694-C003504.763920431-
PE(36:3)PE 36:3ME304693--4.449505615-
PE(37:1)PE 37:1ME304699--5.995703093-
PE(38:2)PE 38:2ME304700--4.146761128-
PE(40:3)PE 40:3ME304707--4.172172994-
PentacosanoylglycinePentacosanoylglycineME304663--4.059716678-
PE(P-34:1)PE P-34:1ME304682-C003505.302752419-
PhenolsulfonphthaleinPhenolsulfonphthaleinME304630-C126005.231999334-
L-PhenylalaninePhenylalanineME304857-C0007910.38066409-
PhosphoenolpyruvatePhosphoenolpyruvic acidME304684-C0007417.57378569-
Ethanolamine phosphatePhosphoethanolamineME304669-C0034616.06685636-
PhosphonoacetaldehydePhosphonoacetaldehydeME304666-C0316715.11442537-
L-PipecolatePipecolic acidME304770-C0040821.33151011-
PiperidinePiperidineME304736-C0174614.6019944-
L-ProlineProlineME304763-C0014812.93837878-
PS(34:0)PS 34:0ME304691--3.694026196-
PS(36:0)PS 36:0ME304698--3.667796047-
PS(38:3)PS 38:3ME304704--3.754903145-
PS(38:4)PS 38:4ME304703--3.769015878-
PS(38:6)PS 38:6ME304701--3.80627917-
PS(40:5)PS 40:5ME304710--3.736246854-
PS(41:6)PS 41:6ME304712--3.766082521-
PS(42:4)PS 42:4ME304716--3.741512698-
PS(42:5)PS 42:5ME304715--3.741703978-
PyridoxinePyridoxineME304828-C003148.337857056-
Pyrimidine nucleosidePyrimidine nucleosideME304864-C031699.126287888-
5-OxoprolinePyroglutamic acidME304760-C0187914.99386455-
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME304754-C0594210.91767948-
QuinateQuinic acidME304813-C0029613.39915239-
4,8-DihydroxyquinolineQuinoline-4,8-diolME304891-C0563712.14160258-
RibitolRibitolME304746-C0047413.09251777-
RiboflavinRiboflavinME304612-C002558.83577278-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME304771-C036569.38631712-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME304563-C0002113.69357552-
S-Adenosyl-L-methionineS-AdenosylmethionineME304579-C0001916.35644212-
Ser-ArgSer-ArgME304886--16.66978261-
L-SerineSerineME304688-C0006515.87772368-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME304554--17.10038907-
SlaframineSlaframineME304544-C0618510.24151969-
SM(d32:1)SM 32:1;O2ME304678--7.746746051-
SM(d34:1)SM 34:1;O2ME304683--7.750592089-
SM(d40:1)SM 40:1;O2ME304708-C005507.693251595-
SM(d42:1)SM 42:1;O2ME304714-C005507.621743011-
SM(d42:2)SM 42:2;O2ME304713-C005507.604086497-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME304852-C0067014.50725403-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME304749-C0123315.75315561-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME304791-C0327412.78105551-
SphinganineSphinganineME304627-C008367.816680932-
[SP] Sphing-4-enineSphingosineME304626-C003197.856081814-
OctadecanamideStearamideME304625-C138467.957377239-
ThiaminThiamineME304539-C0037819.89656191-
Thiamin monophosphateThiamine monophosphateME304541-C0108114.36031111-
L-ThreonineThreonineME304732-C0018814.56049943-
Threoninyl-AspartateThr-SerME304839--11.34201006-
Tributyl phosphateTributyl phosphateME304550-C144394.126783352-
TriethanolamineTriethanolamineME304790-C067719.651402976-
L-TryptophanTryptophanME304512-C0007811.73531724-
L-TyrosineTyrosineME304858-C0008213.09728637-
UndecanoylcholineUndecanoylcholineME304609--7.824651021-
UridineUridineME304859-C0029910.06077542-
UrocanateUrocanic acidME304795-C0078510.97679046-
ValclavamValclavamME304565-C066688.311891271-
L-ValineValineME304738-C0018312.50538438-
Val-ValVal-ValME304508--12.00461024-
Xanthosine 5'-phosphateXMPME304480-C0065517.99543641-
ZAPAZAPAME304723-C1369513.73058548-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME304681--3.888723779-
1(2H)-Isoquinolinone-ME304890-C063248.675322187-
1-Methyl-2-pyrrolecarboxaldehyde-ME304798--5.142409643-
(1R,4S)-fenchan-2-one-ME304495--4.300907754-
2,3-Epoxymenaquinone-ME304645--9.339995413-
2-(Acetamidomethylene)succinate-ME304826-C0121512.99585871-
2-(Arabinosylamino)-3-(glucosylamino)propanenitril...-ME304569--14.03557541-
2-chloro-3-methyl-maleylacetate-ME304824--16.93638892-
3,4-Dehydrothiomorpholine-3-carboxylate-ME304759-C044457.928992957-
3-acetyl-3-methyldihydrofuran-2(3H)-one-ME304808--5.163375238-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME304845--13.31052223-
3Z,6Z-Eicosadiene-ME304644--4.28379442-
4,8-Dimethyl-1,3E,7-nonatriene-ME304524--4.331139906-
4-Methylene-L-glutamate-ME304803-C0065113.07817978-
5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol-ME304477--4.846002833-
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O...-ME304619--15.74330177-
5-ethyl-5-methyl-2,4-oxazolidinedione-ME304802--11.92536014-
5-methyl-barbiturate-ME304756-C0528112.79405427-
5-methylthiopentanonitrile oxide-ME304775--11.00177544-
6-Acetamido-3-aminohexanoate-ME304842-C0384610.70346406-
6-isobutyl-4-hydroxy-2-pyrone-ME304860--8.741536397-
a Cysteine adduct-ME304804--15.24664064-
Ala-Ala-Ala-Asn-ME304557--14.896892-
Ala-Ala-Asn-Gln-ME304585--13.82521275-
Ala-Ala-Asn-Gly-ME304546--15.6992308-
Ala-Ala-Asp-Arg-ME304604--15.42052385-
Ala-Ala-Gln-Gln-ME304602--14.18059043-
Ala-Asp-Gly-Arg-ME304586--15.95323171-
Ala-Cys-Cys-Pro-ME304567--15.98577537-
Ala-Cys-Tyr-Tyr-ME304658--10.38984525-
Ala-Glu-Glu-Gly-ME304583--16.41215321-
Ala-Leu-Ala-Ser-ME304587--13.99182071-
Ala-Leu-Asn-Gln-ME304622--12.10591591-
Ala-Leu-Gly-Pro-ME304598--13.35172468-
Ala-Leu-Gly-Ser-ME304573--14.77636108-
Ala-Leu-Ser-Ser-ME304588--14.98276435-
Ala-Leu-Val-Gly-ME304606--12.17395315-
Ala-Lys-Ala-Asn-ME304607--12.74177546-
Ala-Lys-Ala-Gln-ME304617--11.79225561-
Ala-Lys-Asn-Gln-ME304623--13.66594259-
Ala-Lys-Asn-Gly-ME304589--13.70301116-
Ala-Met-Val-Pro-ME304620--11.38893239-
Alanyl-Hydroxyproline-ME304836--8.598810323-
Ala-Thr-Asn-Gln-ME304603--9.341302028-
Ala-Thr-Asp-Pro-ME304597--11.1629239-
Ala-Thr-Thr-Ala-ME304574--15.77867698-
alcaligin-ME304600--5.685810896-
alpha-Methylstyrene-ME304855-C143954.298429786-
Arg-Phe-Cys-Gly-ME304642--10.97250553-
Arg-Thr-Asp-Ser-ME304615--17.45819818-
Asn-Lys-Gly-Ser-ME304590--14.7389056-
Asn-Met-Gln-Pro-ME304634--9.318053957-
Asparaginyl-Hydroxyproline-ME304870--10.56992144-
Asp-Leu-Asp-Tyr-ME304654--12.83530947-
Asp-Leu-Lys-Pro-ME304650--12.56390546-
Asp-Lys-Asp-Pro-ME304633--11.82259933-
Asp-Lys-Asp-Tyr-ME304655--10.97231666-
CAPS-ME304888--9.342095485-
Caryoptosidic acid-ME304593--22.44564842-
Cavinine-ME304618-C0852415.57135315-
Cohibin C-ME304675--3.896750786-
deacetylcolchicine-ME304639-C1671215.18153517-
DL-β-hydroxynorvaline-ME304740--16.3315016-
FA (14:2) tetradecadienal-ME304568--4.298549415-
[FA (7:2)] 2,4-heptadienal-ME304807--4.494632305-
[FA oxo(19:0)] 10-oxo-nonadecanoic acid-ME304635--5.083372189-
FA oxo(21:0)-ME304651--4.124437239-
formiminoalanine-ME304727--27.98661616-
Furfural diethyl acetal-ME304869-C142804.616659608-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide-ME304525--10.9955159-
Glu-Glu-Glu-Glu-ME304640--19.34972205-
Glu-Met-Met-Cys-ME304621--14.27898811-
Glu-Thr-Pro-His-ME304641--14.91133253-
Glycyrrhizaflavonol A-ME304638--13.38104524-
Gonyautoxin IV-ME304501--16.11098836-
Hexadeceylamin-ME304610--7.872821947-
Hydroxyprolyl-Arginine-ME304533--14.37634122-
Hydroxyprolyl-Histidine-ME304522--9.700238812-
Isopentenyladenine-9-N-glucoside-ME304614--10.49691756-
L-beta-aspartyl-L-asparticacid-ME304830--17.47736497-
L-beta-aspartyl-L-leucine-ME304503--12.56802172-
L-beta-aspartyl-L-serine-ME304812--15.94987531-
L-N2-(2-Carboxyethyl)arginine-ME304883-C0665511.90465363-
Metenamine-ME304780--8.554457632-
methanofuran biosynththesis intermediate MF3-ME304806--15.76480289-
Montecristin-ME304674--3.877259524-
Muscarine-ME304887-C0747327.92042927-
N-(1-Deoxy-1-fructosyl)histidine-ME304543--12.74230952-
N2-Acetyl-L-aminoadipyl-delta-phosphate-ME304840-C1298717.06167477-
N3-hydroxyethylcytosine-ME304801--18.12426782-
N-acetyl-demethylphophinothricin-ME304781--10.38098832-
N-hydroxy DAP-ME304820--12.3130857-
N-Lactoyl ethanolamine phosphate-ME304745--15.21733248-
N,N-dihydroxyvaline-ME304742--11.24494135-
nva-FMDP-ME304552--8.861331734-
O-Oxalylhomoserine-ME304805-C0829417.8537618-
Oxypinnatanine-ME304492--12.51216184-
Persicachrome-ME304660--3.645892055-
phenyl-1-thio-β-D-galactopyranoside-ME304540--15.01786686-
Pro-Gly-Pro-Ser-ME304581--9.523151555-
Serinyl-Hydroxyproline-ME304837--9.908429294-
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphi...-ME304672--3.97822802-
(S,S)-Np-Histidinylalanine-ME304867--12.59906829-
Thienamycin-ME304520-C0666412.87662218-
TMTT-ME304595--4.287759942-
Tolylacetonitrile-ME304893-C0259611.74370128-
Tris(butoxyethyl)phosphate-ME304628-C144464.100707576-
Tyr-Glu-Glu-Glu-ME304659--16.15817934-
Urea-1-carboxylate-ME304665-C0101027.89295451-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME304817--16.33742065-
γ-aminobutyramide-ME304719--28.03242921-
γ-Glu-Ala-Gly-CHO-ME304496--9.33621739-
γ-thiomethyl glutamate-ME304773--10.81143334-


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-Oxodecanoate10-Oxodecanoic acidME304909-C022177.676054552-
[FA (22:2)] 13Z,16Z-docosadienoic acid13Z,16Z-Docosadienoic acidME305030-C165333.904698423-
[6]-Paradol1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME304981-C104824.100214338-
1-Deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME305199-C0435915.34501662-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME304992--3.829582322-
2'-Hydroxydihydrodaidzein2'-HydroxydihydrodaidzeinME304949-C0356714.90106745-
(R)-2-Hydroxyglutarate2-Hydroxyglutaric acidME305160-C0108715.12020701-
FA hydroxy(19:0)] nonadecanoic acid2-Hydroxynonadecanoic acidME305008--4.210238878-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME305153-C0059614.70916773-
2-Methyl-4-propyl-1,3-oxathiane2-Methyl-4-propyl-1,3-oxathianeME305213--5.12464269-
2-Oxoglutarate2-Oxoglutaric acidME305155-C0002615.61334615-
3-Dehydroquinate3-DehydroquinateME305187-C0094410.92579546-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME304946--4.22328586-
3-Phospho-D-glycerate3-Phosphoglyceric acidME305085-C0019716.99151602-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME304921--14.38579597-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME305226-C040675.139742888-
4-Heptyloxyphenol4-HeptyloxyphenolME304934-C142364.207877774-
5-6-Dihydrouridine5,6-DihydrouridineME305223--13.23370071-
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME304914--4.326817676-
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME305195-C0584415.61765079-
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME305206--4.846597475-
5-Valerolactone5-ValerolactoneME305157-C022404.876059576-
6-Phospho-D-gluconate6-Phosphogluconic acidME305176-C0034517.75503172-
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME304945--4.301990409-
9-Oxononanoic acid9-Oxo-nonanoic acidME305232-C163225.086394925-
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid9R,10S-EpOMEME304996-C148254.07563989-
[PR] Abietic acidAbietic acidME305012-C060874.076979296-
AcetoacetateAcetoacetic acidME305133-C0016413.4732101-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME305165-C060069.023630763-
Acetyl-CoAAcetyl-CoAME305037-C0002412.46255634-
ADP-riboseADP-riboseME304953-C0030113.50991582-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME305027-C165273.915227787-
AdrenochromeAdrenochromeME305240--5.205815498-
Ala-SerAla-SerME305169--12.67681657-
alpha-Ironealpha-IroneME304944-C096904.30118486-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME304991-C064273.995921711-
FA (20:4)Arachidonic acidME305013-C002193.962778407-
L-AspartateAspartic acidME305136-C0004915.01792436-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME304925-C0454014.77768063-
ATPATPME304903-C0000216.61243434-
AurinAurinME305002-C142135.135739693-
Bakkenolide ABakkenolide AME304952-C093504.235938402-
Docosanoic acidBehenic acidME305033-C082813.88092273-
FA (22:0)Behenic acidME305016--4.242462613-
BergaptolBergaptolME304919-C0075815.3005348-
sodium dodecyl sulfateBlasticidin SME304932--3.837962626-
Decanoic acidCapric acidME304912-C015714.350583348-
[FA (6:0)] hexanalCaproaldehydeME305171-C023734.316511847-
Hexanoic acidCaproic acidME305172-C015855.137230274-
FA (8:0) octanoic acidCaprylic acidME305212-C064234.628789389-
CarmustineCarmustineME305161-C068735.614469486-
CDPCDPME305229-C0011217.11991277-
CDP-ethanolamineCDP-EthanolamineME304916-C0057016.43849376-
N-(Tetradecanoyl)-sphing-4-enineCer 18:1;O2/14:0ME305057-C139164.093977005-
N-PalmitoylsphingosineCer 18:1;O2/16:0ME305059--4.541386944-
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineCer 18:1;O2/24:1ME305097-C001954.227444446-
Cer(d36:1)Cer 36:1;O2ME305066--4.130698499-
Cer(d36:2)Cer 36:2;O2ME305065--4.101291317-
ChelirubineChelirubineME305017-C0632712.72222254-
[FA (22:1)] 13Z-docosenoic acidcis-Erucic acidME305032-C083163.90283385-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME305015-C165263.925973711-
CitrateCitric acidME305185-C0015818.13538374-
CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))CL 18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)ME305203--3.714645964-
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))CL 18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)ME305202--3.650262491-
CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z...CL 20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)ME305204--3.706738011-
CoACoenzyme AME305019-C000107.797523014-
Coniferyl aldehydeConiferyl aldehydeME304895-C026665.095438512-
Cyclic ADP-riboseCyclic ADP-riboseME304950-C1305014.29187622-
L-CysteateCysteic acidME305082-C0050615.63120426-
L-CysteineCysteineME305081-C0009716.34956167-
S-Sulfo-L-cysteineCysteine-S-sulfateME305083-C0582416.91467353-
dCDPdCDPME305228-C0070516.23806588-
dCMPdCMPME305224-C0023914.96980247-
FA (12:1) Decenedioic acidDecenedioic acidME304904--7.780218675-
L-DehydroascorbateDehydroascorbic acidME305181-C0542217.84527352-
DG(41:7)DG 41:7ME305104--7.693430812-
DichloroacetateDichloroacetic acidME305052-C111497.788469442-
DigitalinDigitalinME305064-C0886216.92799198-
DocosahexaenoicacidDocosahexaenoic acidME305025-C064293.919932532-
FA (12:1) dodecenoic acidDodecenoic acidME304927--4.172755055-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME305026-C165133.924096825-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME305198-C0538216.33798174-
dTDPdTDPME304902-C0036314.73810081-
dTTPdTTPME304905-C0045916.21344268-
Icosadienoic acidEicosadienoic acidME305014-C165253.941939678-
EPC(d32:1)EPC 32:1;O2ME305061--4.651393636-
EPC(d36:1)EPC 36:1;O2ME305072--4.92840433-
D-Erythrose 4-phosphateErythrose 4-phosphateME305139-C0027916.33498182-
L-ErythruloseErythruloseME305137-C0204514.66624398-
Ethyl 2-methylbut-2-enoateEthyl tiglateME305191-C084874.454606621-
5'-Phosphoribosyl-N-formylglycinamideFGARME305210-C0437616.08667065-
D-FructoseFructoseME305174-C0009517.18122713-
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME305179-C0035418.37427266-
FumarateFumaric acidME305131-C0012215.17410812-
FurosemideFurosemideME304920--12.76113097-
GalactinoldihydrateGalactinolME304931--14.06385241-
GDP-L-fucoseGDP-L-fucoseME304964-C0032517.58129369-
Gentisate aldehydeGentisate aldehydeME305201-C055855.05378737-
Gibberellin A51-cataboliteGibberellin A51-cataboliteME305005-C1185414.54667765-
Glepidotin BGlepidotin BME305011-C0975310.4087891-
D-Gluconic acidGluconic acidME305175-C0025714.02629086-
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME305178-C0615615.47655005-
D-Glucose 6-phosphateGlucose 6-phosphateME305177-C0009216.91245004-
Glu-Ser-SerGlu-Ser-SerME304915--15.46966906-
Glu-ThrGlu-ThrME305230--14.84876506-
ETFGlu-Thr-PheME305054--14.63532783-
Glycerone sulfateGlycerone sulfateME305080-C0254317.46873724-
Gly-SerGly-SerME305143--13.13156743-
Trihexosylceramide (d18:1/16:0)Hex3Cer 18:1;O2/16:0ME305140-C047375.095324961-
Trihexosylceramide (d18:1/22:0)Hex3Cer 18:1;O2/22:0ME305141-C047377.807115101-
FA (26:1)Hexacosenoic acidME305049--3.81266833-
[FA (16:4)] hexadecatetraenoic acidHexadecatetraenoic acidME304962--4.294593629-
FA(16:1)Hexadecenoic acidME304971-C083624.026447466-
HomophytanicacidHomophytanic acidME305021--3.917641975-
3-Methoxy-4-hydroxyphenylacetaldehydeHomovanillinME305219-C055815.106677919-
Hydantoin-5-propionateHydantoin-5-propionic acidME305183-C055659.116865806-
PhenylpropanoateHydrocinnamic acidME305218-C056295.083092876-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME305220-C036729.069587339-
HydroxypyruvateHydroxypyruvic acidME305078-C0016815.78848584-
[FA (25:0)] pentacosanoic acidHyenic acidME305047--3.839365125-
Ile-Ala-SerIle-Ala-SerME304928--9.948872792-
IminoaspartateIminoaspartic acidME305132-C058409.104140218-
IMPIMPME304899-C0013015.5480865-
IndicaxanthinIndicaxanthinME304940-C0854921.28749186-
Inumakilactone A glycosideInumakilactone A glycosideME305040-C091145.177379444-
L-KynurenineKynurenineME304897-C0032810.4743129-
(R)-LactateLactic acidME305079-C002569.741433839-
Dodecanoic acidLauric acidME304929-C026794.170953045-
FA hydroxy(12:0) dodecanoic acidLauric acidME304930--4.778674375-
FA methyl(12:0) dodecanoic acidLauric acidME304938--4.140810625-
FA(24:0)Lignoceric acidME305045-C083203.843415162-
LinoleateLinoleic acidME304995-C015953.983539389-
MagnoshininMagnoshininME305041-C106584.278165659-
(S)-MalateMalic acidME305135-C0014916.10210602-
3-OxopropanoateMalonic semialdehydeME305077-C0022214.82934691-
MaltotrioseMaltotrioseME304994-C0183517.05868629-
FA (17:0)Margaric acidME304989--3.988205049-
α-D-xylosyl-(1->6)-β-D-glucosyl- (1->4)-β-D-glu...MelibioseME305028--14.54911666-
MesaconateMesaconic acidME305154-C0173214.08742839-
(+/-)-Methyl 5-acetoxyhexanoateMethyl 5-acetoxyhexanoateME305233--5.126015665-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME305182-C058277.676621655-
[FA] Methyl jasmonateMethyl jasmonateME304935-C115124.105502535-
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME305023--4.292277696-
Tetradecanoic acidMyristic acidME304947-C064244.076202007-
N2-Succinyl-L-arginineN2-SuccinoylarginineME304906-C0329613.11518521-
N-Acetyl-L-aspartateN-Acetylaspartic acidME305186-C0104214.69464311-
N-Acetyl-D-glucosamine 1,6-bisphosphateN-Acetylglucosamine 1,6-bisphosphateME305214-C0446117.06300795-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME305211-C0035715.27925391-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME305215--13.45021973-
N-AcetylglutamineN-AcetylglutamineME305189--9.205127825-
PipericineNA-PipericineME305031--4.207936096-
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME305044-C083233.841458026-
N,N'-DimethylureaN,N-DimethylureaME305086-C1636413.23690394-
N-NitrosoprolineN-NitrosoprolineME305156-C1948512.39339924-
FA (19:1)Nonadecenoic acidME305006--3.947121528-
nonulose 9-phosphateNonulose 9-phosphateME305238--17.10857142-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME304985--3.844468674-
FA (28:1)Octacosenoic acidME305051--3.785296037-
FA (8:1)Octenoic acidME305208--4.777930289-
octulose 8-phosphateOctulose 8-phosphateME305216--16.42534698-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME304998-C007123.977649488-
OrotateOrotic acidME305150-C0029510.28185736-
OrotidineOrotidineME304898--12.36252146-
OxalateOxalic acidME305053-C0020917.82709098-
PA(30:0)PA 30:0ME305058--3.863719819-
PA(32:1)PA 32:1ME305062--3.830061897-
PA(34:1)PA 34:1ME305070--3.838241287-
PA(34:2)PA 34:2ME305068--3.816962711-
PA(36:2)PA 36:2ME305074-C004163.81022064-
HexadecanalPalmitaldehydeME304975-C005174.220823827-
FA(16:0)Palmitic acidME304976-C002494.012403523-
PC(31:2)PC 31:2ME305075--5.323925018-
PE(30:0)PE 30:0ME305063--4.447380163-
PentadecanalPentadecanalME304960-C019484.255619836-
PE(P-38:3)PE P-38:3ME305101--5.328826977-
Perfluorooctanoic acidPerfluorooctanoic acidME305217--4.02449646-
[PG (28:0)]PG 28:0ME305060--3.734573001-
PG(30:0)PG 30:0ME305067--3.71303889-
PG(34:2)PG 34:2ME305090--3.671809508-
PG(34:3)PG 34:3ME305088--3.676038881-
PG(36:2)PG 36:2ME305096--3.66647776-
PG(36:3)PG 36:3ME305094--3.66325158-
PG(40:7)PG 40:7ME305116--3.643893663-
PG(40:8)PG 40:8ME305114--3.643972984-
PG(42:8)PG 42:8ME305125--3.647783322-
PG(42:9)PG 42:9ME305124--3.638985697-
Phenol sulfatePhenyl hydrogen sulfateME305180-C0218010.67698339-
PhenylpyruvatePhenylpyruvic acidME305239-C001665.157667696-
OrthophosphatePhosphoric acidME305242-C0000918.30803044-
PhytuberinPhytuberinME304982-C097094.147385869-
PI(28:0)PI 28:0ME305069--3.919149223-
PI(30:0)PI 30:0ME305076--3.89784288-
PI(30:1)PI 30:1ME305073--3.911032553-
PI(32:1)PI 32:1ME305092--3.860668255-
PI(34:1)PI 34:1ME305102--3.858364492-
PI(34:2)PI 34:2ME305100--3.84588812-
PI(36:2)PI 36:2ME305111--3.827476187-
PI(36:3)PI 36:3ME305109--3.814872233-
PI(36:4)PI 36:4ME305107--3.81271349-
PI(38:3)PI 38:3ME305123--3.808387308-
PI(38:4)PI 38:4ME305121--3.803188893-
PI(38:5)PI 38:5ME305119--3.80926906-
PI(38:6)PI 38:6ME305118--3.814146024-
PI(40:5)PI 40:5ME305127--3.806119065-
PIP(36:2)PI P-36:2ME305113-C006267.778545222-
Precocene 2Precocene IIME304933-C090184.300317394-
Propanoyl phosphatePropanoyl phosphateME305084-C0287611.54533018-
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...PS 18:1(9Z)/0:0ME305043--7.779215858-
PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)ME305117--3.757308742-
PS(32:1)PS 32:1ME305071--3.846389686-
PS(34:1)PS 34:1ME305091--3.835451604-
PS(34:2)PS 34:2ME305089--3.834719849-
PS(36:2)PS 36:2ME305095--3.815643662-
PS(36:3)PS 36:3ME305093--3.82730478-
PS(37:1)PS 37:1ME305103--3.713194444-
PS(37:3)PS 37:3ME305099--3.783076211-
PS(37:4)PS 37:4ME305098--3.788107142-
PS(38:2)PS 38:2ME305105--3.802423011-
PS(39:2)PS 39:2ME305112--3.804741293-
PS(39:3)PS 39:3ME305110--3.790532539-
PS(39:4)PS 39:4ME305108--3.775611115-
PS(39:5)PS 39:5ME305106--3.777702404-
PS(40:7)PS 40:7ME305115--3.799288904-
PS(41:4)PS 41:4ME305122--3.775854527-
PS(41:5)PS 41:5ME305120--3.774686222-
PS(43:4)PS 43:4ME305128--3.776952386-
PS(43:6)PS 43:6ME305126--3.766630155-
PsoralidinPsoralidinME305009-C105235.409447801-
Pyridoxine phosphatePyridoxine 5'-phosphateME305205-C0062713.48056989-
D-RiboseRiboseME305145-C0012115.13245993-
D-Ribose 1,5-bisphosphateRibose 1,5-bisphosphateME305148-C0115118.37887816-
D-Ribose 5-phosphateRibose 5-phosphateME305147-C0011715.64261735-
(R)-piperazine-2-carboxylate(R)-Piperazine-2-carboxylic acidME305142--13.22882928-
(S)-2-Acetolactate(S)-2-AcetolactateME305159-C0601014.79362879-
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME305164-C006715.065051023-
Serinyl-SerineSer-SerME305170--13.28803101-
SinalbinSinalbinME304941-C0842614.91381758-
(R)-S-LactoylglutathioneS-LactoylglutathioneME304936-C0345112.35532304-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME305087-C0009314.61663485-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME305237-C0122516.19079919-
StachyoseStachyoseME305042-C0161317.75526191-
Octadecanoic acidStearic acidME305000-C015303.959526756-
SuccinateSuccinic acidME305134-C0004215.25562165-
SulfoacetateSulfoacetic acidME305055-C1417917.90396482-
TaurineTaurineME305056-C0024514.96676453-
TauropineTauropineME305146-C016169.193657481-
TetrangomycinTetrangomycinME305003-C1239613.21610873-
TributyrinTG 4:0/4:0/4:0ME304955-C138704.338450492-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME305138-C0162012.46566517-
ThymineThymineME305152-C001787.772106564-
FA oxo(12:1)TraumatinME304923-C163094.349366729-
[FA (23:0)] tricosanoic acidTricosylic acidME305039--3.874219713-
UDPUDPME305222-C0001516.57497781-
UDP-glucoseUDP-glucoseME304954-C0002916.37482784-
UDP-glucuronateUDP-glucuronic acidME304951-C0016718.98762701-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME304983-C0004315.23741818-
UMPUMPME305221-C0010515.23971422-
[FA hydroxy(11:1)] undecenoic acidUndecenoic acidME304917--4.606683858-
[FA (11:0)] undecanoic acidUndecylic acidME304918--4.264748991-
UracilUracilME305129-C001068.774151581-
UTPUTPME305227-C0007517.93984133-
PentanoateValeric acidME305144-C008037.792586864-
AscorbateVitamin CME305184-C0007215.27249929-
XanthineXanthineME305151-C0038511.53939021-
10-hydroxygeraniol-ME304908-C176214.346616618-
1-O-Octadec-9-enyl glycerol-ME305022-C138604.204842849-
2-(alpha-Hydroxyethyl)thiamine diphosphate-ME304943-C0512514.22709036-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME305194--11.74774126-
2-Dehydro-3-deoxy-D-galactonate-ME305167-C0121614.63258442-
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone-ME304937--4.906104101-
2-oxobut-3-enanoate-ME305130--15.14787826-
3,6,8-Trimethylallantoin-ME305190-C1636213.28939128-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME304922--4.590506754-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole-ME304900-C1110717.35919819-
3'-Glucosyl-2',4',6'-trihydroxyacetophenone-ME304942--15.16376665-
4beta-(2-Aminoethylthio)catechin-ME304979--14.14946585-
4-nitro-5-aminoimidazole ribonucleotide-ME305188--13.24510624-
6-formyl-H2-pterin-ME305200--9.12407204-
7,8-diketopelargonate-ME305225--5.066772723-
7-Hydroxy-R-acenocoumarol-ME305004--13.06571294-
7-methylsulfinylheptyl glucosinolate-ME304958--10.27620075-
7-methylthioheptyl glucosinolate-ME304959--15.00329919-
8-methylsulfinyloctyl glucosinolate-ME304973-C1727110.17811517-
8-methylthiooctyl glucosinolate-ME304974-C1725414.91816259-
(Acetyloxy)triphenylstannane-ME305010-C187284.985769871-
Acotiamide-ME305018-C141275.05253245-
Ala-Asp-Asp-Gln-ME304963--15.83975033-
Ala-Glu-Asp-Glu-ME304980--16.40576201-
Ala-Glu-Glu-Ser-ME304965--13.28694041-
Ala-Leu-Thr-Ala-ME304969--18.90871437-
Ala-Met-Met-Ser-ME304970--10.94353241-
Ala-Val-Asp-Asp-ME304966--15.39531909-
Arg-Lys-Pro-His-ME305038--28.76189396-
Asn-Asp-Gln-Ser-ME304967--13.11604445-
Asn-Met-Cys-Pro-ME304986--14.95012871-
Asn-Met-Thr-Asp-ME304987--11.09494808-
Asp-Leu-Phe-Asp-ME305036--11.72550872-
Asp-Val-Pro-Ser-ME304984--10.63805964-
Cys-Cys-Gln-Pro-ME304968--15.10224609-
Cys-Lys-Cys-Cys-ME304957--14.92208338-
Cys-Met-Gln-Pro-ME304993--14.83387553-
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose-ME304911--15.61764686-
D-erythro-L-galacto-Nonulose-ME305236--14.9235889-
Diethyl adipate-ME304910-C145664.954208621-
Dihydrogenphosphate-ME304894--15.12367069-
D-isoglutamine-ME305168--11.90074087-
Elenaic acid-ME304913--14.55347651-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME305197--5.017374767-
Ethyl isopropyl disulfide-ME305149--11.1099172-
ethylpyruvate-ME305158--4.260667674-
Ethyl (R)-3-hydroxybutanoate-ME305173-C034995.163056067-
[FA (18:2)] 3Z,13Z-octadecadien-1-ol-ME304997--4.201934161-
FA (8:1) octenal-ME305207--4.283271212-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME304956--4.065008067-
FA dimethyl(20:3)-ME305029--3.895626201-
FA hydroxy(16:0)] hexadecanoic acid-ME304977--4.192917178-
FA hydroxy(18:0)-ME305001--4.076441432-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME305235--5.083898987-
FA methyl(14:0)-ME304961-C166654.051873725-
FA methyl(16:1)-ME304988--4.009702031-
FA methyl(18:0)-ME305007--3.952423735-
FA methyl(6:0)-ME305196--5.021016716-
FA methyl(8:0)-ME305234--4.447551581-
FA methyl (8:1)-ME305231--4.522453031-
FA oxo(16:0)-ME304972--4.079451998-
FA oxo(18:0)-ME304999--4.020788882-
FA oxo(7:0)-ME305192--5.134665133-
FA oxo(8:0) oxo-octanoic acid-ME305209--7.788740925-
Gln-Leu-Lys-Tyr-ME305048--16.12172278-
Guanosine 3'-diphosphate 5'-triphosphate-ME304907-C0449418.01982528-
H2S2O3-ME305241-C0552921.4266059-
hexane-6-ol-1,3,4,6-tetracarboxylate-ME304901--22.4479875-
Ile-Met-Met-Pro-ME305020--10.78615-
Ile-Phe-Pro-Pro-ME305046--7.806156783-
Musabalbisiane B-ME305035--3.998027484-
N6-Galacturonyl-L-lysine-ME304926--15.66461831-
Narceine-ME305034-C0959111.33770476-
phosphinomethylmalate-ME305162--16.72532223-
Polyethylene, oxidized-ME304924--4.86137626-
Potassium 2-(1'-ethoxy) ethoxypropanoate-ME305193--9.755177719-
Quinoline yellow-ME304990--15.85887059-
(R)-2-Ethylmalate-ME305166-C0248817.06600961-
Sodium Tetradecyl Sulfate-ME304948--3.807051017-
Sucrose monopalmitate-ME305050--15.64340791-
Thienodihydropyridinium-ME304939--16.10756894-
Tipredane-ME305024--3.820906978-
Trifluridine-ME304896--10.49518021-
Trihexosylceramide (d18:1/24:1(15Z))-ME305163-C047377.796857949-
Zopiclone N-oxide-ME304978--15.7405754-


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