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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
1,4-Dimethoxyglucobrassicin-ME759982--16.27371566-
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-o...-ME760016-C1463712.32992275-
1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero...-ME760071--5.350345212-
2,3-DimethylmaleateDimethyl maleateME760149-C0092214.27117569-
2,6-Diamino-7-hydroxy-azelaic acid-ME760215-C1202516.40278015-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...-ME760179--11.0788009-
3-Butynoate3-Butynoic acidME760103-C0614414.26388598-
4-Aminobutanal4-AminobutyraldehydeME760106-C0055510.49476818-
4-Aminobutanoategamma-Aminobutyric acidME760107-C0033415.40278704-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME760159-C0118113.27555154-
5,6-DihydrothymineDihydrothymineME760129-C0090614.65797355-
5-6-Dihydrouridine5,6-DihydrouridineME760196--13.5288969-
5-Guanidino-2-oxopentanoate2-OxoarginineME760134-C0377114.12539765-
5-Hydroxytryptophan5-Hydroxy-tryptophanME759852-C0101710.84983681-
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...-ME760191-C0479712.31956673-
5-methyl-barbiturate-ME760126-C0528112.35198746-
5'-Methylthioadenosine5'-MethylthioadenosineME759856-C001707.839286423-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME759895-C0433212.80931981-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME759831-C0458314.62199586-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...-ME760199-C0648611.89056765-
Acetyl-CoAAcetyl-CoAME760033-C0002412.1378582-
AdenineAdenineME760124-C001479.631446383-
AdenosineAdenosineME759829-C002129.157433256-
Ala-Ala-Ala-Ser-ME759888--16.09059893-
Ala-Ala-Asn-Gln-ME759944--14.47625618-
Ala-Ala-Asp-Arg-ME759960--14.46065089-
Ala-Ala-Asp-Ser-ME759901--15.1841636-
Ala-Ala-Asp-Tyr-ME759991--11.04251779-
Ala-Ala-Gln-Ser-ME759925--16.32328758-
Ala-Ala-SerAla-Ala-SerME760211--11.86878325-
Ala-AsnAla-AsnME760153--12.85257397-
Ala-Asn-Asn-Asp-ME759942--12.93123442-
Ala-Asn-GlyAla-Asn-GlyME760210--13.46026577-
Ala-Asn-ProAla-Asn-ProME759883--12.31824684-
Ala-Asn-Pro-Pro-ME759971--11.11010087-
Ala-Asn-SerAla-Asn-SerME759845--16.60822811-
Ala-Asp-ArgAla-Asp-ArgME759907--15.17038123-
Ala-Asp-AspAla-Asp-AspME759859--16.57675629-
Ala-Asp-Asp-Arg-ME759976--17.87928136-
Ala-Asp-Cys-Ser-ME759902--17.08139598-
Ala-Asp-Gln-Pro-ME759972--14.24802189-
Ala-Asp-Gly-Arg-ME759949--15.78600413-
Ala-Asp-Gly-Pro-ME759917--15.26200943-
Ala-Asp-ProAla-Asp-ProME759879--14.57383741-
Ala-Asp-Pro-His-ME759983--14.16727816-
Ala-Asp-SerAla-Asp-SerME759843--15.48171775-
Ala-Asp-Ser-Arg-ME759961--11.80469793-
Ala-Glu-Ala-Glu-ME759956--14.68373553-
Ala-Glu-Asn-Ile-ME759987--11.58022086-
Ala-Glu-Glu-His-ME759994--15.24793962-
Ala-Gly-ArgAla-Gly-ArgME759870--16.1700833-
Ala-Gly-ProAla-Gly-ProME759840--12.47382495-
Ala-Leu-Ala-Ser-ME759950--13.89994672-
Ala-Leu-Asn-Pro-ME759985--9.376288541-
Ala-Leu-Asn-Ser-ME759959--15.07796777-
Ala-Leu-Cys-Gln-ME759978--13.08742612-
Ala-Leu-Gly-Arg-ME759981--11.20025934-
Ala-Leu-Gly-Pro-ME759958--13.03881995-
Ala-Leu-Gly-Ser-ME759930--14.60461763-
Ala-Leu-Lys-Asp-ME760001--13.38209591-
Ala-Leu-Trp-Arg-ME760041--23.67518418-
Ala-Lys-Ala-Ala-ME759951--14.18181254-
Ala-Lys-Asp-Gly-ME759948--16.04010824-
Ala-Lys-Asp-Pro-ME759986--14.70170949-
Ala-Lys-Lys-Asp-ME760002--14.18790633-
Ala-ProAla-ProME760171--11.3872129-
Ala-Pro-Ser-Ser-ME759921--12.00143127-
Ala-Thr-Ala-Ala-ME759906--15.4156594-
Ala-Thr-Asp-Asp-ME759940--15.15401567-
Ala-Thr-Thr-Ala-ME759931--15.58547719-
Ala-Val-Gly-Pro-ME759943--9.670018832-
Ala-Val-Val-Ser-ME759962--18.76856244-
AMPAMPME759833-C0002013.55929126-
Arg-Asp-Gly-Gly-ME759926--16.19509163-
Arg-Glu-Ile-Thr-ME760024--14.28832601-
Arg-Met-Phe-Cys-ME760032--12.31206868-
Arg-OEtEthyl arginateME760184-C0140421.24259633-
Arg-Thr-Asp-Ser-ME759979--17.33034363-
Asn-ArgAsn-ArgME759849--16.40149364-
Asn-AsnAsn-AsnME760176--13.66872183-
Asn-Asn-AspAsn-Asn-AspME759882--15.88100306-
Asn-Asn-Ser-Tyr-ME760007--14.04840094-
Asn-AspAsn-AspME760168--15.51028531-
Asn-Asp-Asp-Pro-ME759968--16.17893225-
Asn-Glu-Ile-Lys-ME760023--13.26079159-
Asn-Gly-Pro-His-ME759969--15.97933077-
Asn-Leu-Asp-His-ME760009--11.73333435-
Asn-Leu-Lys-Asp-ME760014--13.63019905-
Asn-Leu-Pro-Pro-ME760011--10.91948655-
Asn-Lys-Asn-Pro-ME760000--13.21771978-
Asn-Lys-Asp-Pro-ME759999--15.38539371-
Asn-Lys-Gly-Pro-ME759977--15.41475112-
Asn-Lys-Trp-Val-ME760040--10.91585636-
Asn-ProAsn-ProME760203--13.12046766-
Asn-SerAsn-SerME760154--13.44847806-
Asn-Val-Asn-Asn-ME759975--9.18610752-
Asp-ArgAsp-ArgME759847--16.89804147-
Aspartyl-GlutamineAsp-GlnME760204--11.46717815-
Aspartyl-L-prolineAsp-ProME760195--15.17540207-
Asp-Asp-Gln-Pro-ME759984--15.98730418-
Asp-Asp-Gly-Gly-ME759877--17.10223948-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME759903--16.79427196-
Asp-Cys-Ser-Tyr-ME759992--16.36631254-
Asp-Gln-Pro-Pro-ME759995--14.07742386-
Asp-Gly-SerAsp-Gly-SerME760205--15.27110519-
Asp-Leu-Lys-Asp-ME760013--14.07905426-
Asp-Leu-Lys-Lys-ME760029--22.06678136-
Asp-Leu-Met-Pro-ME760012--10.71315009-
Asp-Leu-Ser-His-ME759997--11.41196671-
Asp-Lys-Asp-Pro-ME759998--14.70820319-
Asp-Lys-Lys-Asp-ME760015--14.17073224-
Asp-Met-Asp-Gly-ME759941--15.54326871-
Asp-Phe-Gln-Pro-ME760031--12.18025112-
Asp-Phe-Pro-His-ME760035--11.30632286-
Asp-Pro-SerAsp-Pro-SerME759880--12.56116556-
Asp-Thr-Cys-Cys-ME759923--16.49818431-
Asp-Val-Gly-Ser-ME759922--16.62428958-
Asp-Val-Pro-Ser-ME759973--10.04387614-
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME759857--19.5085626-
Blasticidin SBlasticidin SME759970-C0201017.55248352-
BrunfelsamidineBrunfelsamidineME760128-C1013312.82405008-
Catalposide-ME760026-C0977514.85985101-
CDPCDPME760201-C0011216.68059699-
CDP-cholineCDP-cholineME759929-C0030715.17362804-
CholineCholineME760119-C0011419.6824166-
Choline phosphateCholine phosphateME760121-C0058814.85282944-
CMPCMPME760198-C0005515.60135523-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME759928-C0567414.24806773-
Cohibin A-ME760045--3.725503111-
CreatineCreatineME760105-C0030014.56157874-
Cyclic ADP-riboseCyclic ADP-riboseME759932-C1305014.01529783-
cyclic GMP-AMP-ME760006--13.914575-
CytidineCytidineME760193-C0047511.8565692-
dAMPdAMPME759832-C0036012.58269374-
dehydrolysine-ME760138--28.36959867-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME760145-C0035216.69505107-
Dieporeticenin-ME760046--3.652158356-
dihydrothymidine5,6-DihydrothymidineME759837--14.85898234-
Dihydrozeatin-O-glucosideDihydrozeatin-O-glucosideME759955-C1644810.91949069-
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME760120-C0106827.26340147-
E-64E64ME759947-C0134115.3845719-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME759866--15.19391975-
ErgothioneineErgothioneineME760202-C0557014.67410011-
[FA (18:1)] 9Z-octadecenamideOleamideME759988--4.502401588-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME760127--13.86355683-
FADFADME760044-C0001611.1984375-
FluocinoloneFluocinoloneME760017-C0700613.64712404-
FolateFolic acidME759990-C0050416.31719296-
formycin AFormycin AME759836--13.17101768-
Furfural2-FurancarboxaldehydeME760123-C1427915.04813056-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME760206-C1570011.43226286-
Gammaglutamylornithinegamma-GlutamylornithineME759846--16.32913971-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME760208-C0569516.00959892-
Gamma-Glutamyltyrosinegamma-GlutamyltyrosineME759911--13.4112875-
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME760173-C0373814.48890006-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME760174-C0066913.9007906-
GDPGDPME759835-C0003517.81209373-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME759953-C0513612.48966262-
GDP-mannoseGDP-mannoseME759954-C0009617.82319768-
Gln-Thr-Trp-Pro-ME760038--8.21790727-
Glu-Ala-AspGlu-Ala-AspME759881--15.9001145-
Glu-Ala-GluGlu-Ala-GluME759898--15.86601143-
Glu-Ala-ProGlu-Ala-ProME759897--14.38609378-
Glu-Ala-SerGlu-Ala-SerME759860--14.49695822-
Glu-Ala-ValGlu-Ala-ValME759904--10.87412504-
Glu-ArgGlu-ArgME759868--16.63564118-
Glu-Asp-AspGlu-Asp-AspME759896--18.40412483-
Glu-Asp-GluGlu-Asp-GluME759915--18.30594826-
Glu-Asp-ProGlu-Asp-ProME759916--15.61194477-
Glu-Asp-ValGlu-Asp-ValME759919--15.68005829-
Glu-Gln-His-His-ME760027--13.26801669-
Glu-Glu-Gln-His-ME760020--15.81209888-
Glu-Glu-Gln-Ile-ME760021--13.24691982-
Glu-Glu-GluGlu-Glu-GluME759935--18.19337489-
Glu-Glu-Lys-Pro-ME760022--16.21438427-
Glu-Glu-ProGlu-Glu-ProME759936--16.56219273-
Glu-Glu-Pro-Thr-ME759996--15.74922078-
Glu-His-HisGlu-His-HisME759967--10.82582493-
Glu-Ile-ThrGlu-Ile-ThrME759946--11.34426765-
Glu-Met-MetGlu-Met-MetME759945--13.89603545-
Glu-Met-SerGlu-Met-SerME759905--11.72312927-
Glu-Met-ThrGlu-Met-ThrME759924--11.97983335-
GlutathioneGlutathioneME759842-C0005114.09538251-
Glutathione disulfideOxidized glutathioneME760010-C0012717.16157149-
Glu-ThrGlu-ThrME760209--14.54306671-
Gly-ArgGly-ArgME760181--16.9318126-
Glycyrrhizaflavonol A-ME760004--13.30781237-
Gly-Pro-ProGly-Pro-ProME759878--12.12842509-
GMPGMPME759834-C0014416.43183854-
GuanineGuanineME760125-C0024212.26114299-
GuanosineGuanosineME759830-C0038712.53351392-
HexadecasphinganineC16 SphinganineME759965-C139157.002134011-
Hexadeceylamin-ME759964-Intstd11.4567625-
His-Lys-Gly-Gly-ME759957--15.89903227-
Histidinyl-GlycineHis-GlyME760167--13.50132044-
Histidinyl-HistidineHis-HisME759875--11.91193225-
Histidinyl-ThreonineHis-ThrME759839--11.36392606-
HomoarginineHomoarginineME760163-C0192422.33261387-
HypaphorineLenticinME759910-C092138.78285408-
HypoxanthineHypoxanthineME760122-C0026210.14813649-
Ile-ArgIle-ArgME759893--12.30589408-
Ile-Gly-HisIle-Gly-HisME759920--14.57777907-
Ile-LysIle-LysME759892--12.44786664-
Ile-Lys-Met-Met-ME760030--13.69902693-
Ile-Lys-ProIle-Lys-ProME759980--21.11500015-
Ile-Lys-SerIle-Lys-SerME759952--17.66315587-
IndoleIndoleME760187-C0046311.59253856-
InosineInosineME759828-C0029410.87187971-
Kievitone hydrateKievitone hydrateME760005-C0254910.15297632-
L-AlanineAlanineME760057-C0004114.62594008-
L-ArginineArginineME760144-C0006223.68840138-
L-AsparagineAsparagineME760104-C0015215.20804235-
L-beta-aspartyl-L-alaninebeta-AspartylalanineME760152--14.4301765-
L-beta-aspartyl-L-asparticacid-ME760166--17.0508021-
L-beta-aspartyl-L-glutamicacid-ME760197--16.98629169-
L-beta-aspartyl-L-leucine-ME759844--12.26904126-
L-beta-aspartyl-L-threonine-ME760175--15.44105404-
L-CarnitineCarnitineME760160-C0048713.19886285-
L-CitrullineCitrullineME760140-C0032715.81319922-
L-CystineCystineME760139-C0049116.14334031-
L-Djenkolic acid-ME760157-C0827516.03368412-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME759864--10.86469773-
L-GlutamateGlutamic acidME760133-C0002514.41955673-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME760132-C0116514.34969621-
L-GlutamineGlutamineME760112-C0006414.98637182-
L-HistidineHistidineME760150-C0013514.6938735-
L-LeucineLeucineME760141-C0012310.87615985-
L-LysineLysineME760143-C0004722.69258349-
L-Lysine 1,6-lactamL-2-aminohexano-6-lactamME760137-C0283713.23983783-
L-MethionineMethionineME760115-C0007311.53290071-
L-Methionine S-oxideMethionine sulfoxideME760116-C0298913.32013601-
L-OrnithineOrnithineME760117-C0007722.01759866-
LotaustralinLotaustralinME759861-C0833412.81940909-
L-PhenylalaninePhenylalanineME760189-C0007910.21558634-
L-PipecolatePipecolic acidME760135-C0040812.3833909-
L-ProlineProlineME760131-C0014812.72516285-
L-SerineSerineME760058-C0006515.67055303-
L-ThreonineThreonineME760109-C0018814.39713408-
L-TryptophanTryptophanME759851-C0007811.59346924-
L-TyrosineTyrosineME760190-C0008212.89651438-
L-Tyrosyl-L-arginineTyr-ArgME759938-C0299314.13199787-
L-ValineValineME760114-C0018312.45158941-
Lys-AsnLys-AsnME759848--16.46291974-
Lys-GlyLys-GlyME760180--16.73403123-
Lys-HisLys-HisME759885--16.31890887-
LysoPC(16:0)LPC 16:0ME760037-C042307.804065771-
LysoPC(18:0)LPC 18:0ME760043-C042307.790413171-
LysoPC(18:1)LPC 18:1ME760042--4.727053485-
LysoPC(O-16:1)LPC O-16:1ME760036--7.794929772-
LysoPE(18:1)LPE 18:1ME760034--4.808514003-
Lys-Phe-TrpLys-Phe-TrpME760039--16.30145721-
Lys-ProLys-ProME759865--15.2698922-
Lys-SerLys-SerME760217--16.57148623-
Lys-ThrLys-ThrME759850--15.81085733-
Lys-Thr-SerLys-Thr-SerME759908--15.3663791-
Lys-Thr-Ser-Tyr-ME760028--14.6781292-
Lys-Trp-GlyLys-Trp-GlyME759993--13.00771472-
Lys-ValLys-ValME759871--21.88689562-
MannitolMannitolME760146-C0039213.86457274-
meso-2,6-Diaminoheptanedioate-ME760156-C0068022.68367556-
Met-Asp-HisMet-Asp-HisME759939--12.33961449-
MethacholineMethacholineME760182-C0747113.27793336-
MethylcysteineMethylcysteineME760108--12.96582915-
Muramic acidMuramic acidME760213-C0647014.28208434-
N-(1-Deoxy-1-fructosyl)proline-ME759862--12.33052898-
N-(1-Deoxy-1-fructosyl)tyrosine-ME759933--11.91285079-
N-(1-Deoxy-1-fructosyl)valine-ME759869--11.01970365-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME760169-C1298612.0973341-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME760216-C0413714.07718328-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME760214-C0402017.08520832-
N2-Fructopyranosylarginine-ME759891--18.26218422-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME759912-C0379417.91312497-
N6-Acetyl-L-lysineN6-AcetyllysineME760177-C027277.900391642-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME760178-C0395517.83233325-
N6-Galacturonyl-L-lysine-ME759886--15.05508238-
N6-Methyl-L-lysineN(6)-MethyllysineME760162-C0272822.14010417-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME760218-C0379321.47587514-
N-AcetylcadaverineN-AcetylcadaverineME760161--11.07541282-
N-AcetylcystathionineN-AcetylcystathionineME760207--12.88204479-
N-AcetyllactosamineN-AcetyllactosamineME759927-C0061113.68973128-
N-Acetyl-L-glutamateN-Acetylglutamic acidME760151-C0062413.81852595-
NADP+NADPME760018-C0000616.49403429-
NADPHNADPHME760019-C0000516.80930227-
N-Carbamoyl-L-aspartateCarbamoylaspartateME760130-C0043816.35199263-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME760183-C0554521.20177445-
Neuromedin B (1-3)-ME759887--13.65399062-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME760185--14.62800318-
N-hydroxy DAP-ME760158--11.89352601-
NicotinamideNiacinamideME760148-C001537.878018951-
Nicotinamide D-ribonucleotideNicotinamide ribotideME759855-C0045515.13414586-
nicotinamide ribosideNicotinamide ribosideME759854--22.48770841-
NicotinateNicotinic acidME760147-C002537.863527184-
Nicotinate D-ribonucleosideD-RibosylnicotinateME759853-C0584113.02763865-
N-MethylnicotinateTrigonellineME760164-C0100416.54315153-
NorophthalmicacidNorophthalmic acidME759841--10.83479373-
N-Succinyl-L-glutamateN2-SuccinylglutamateME760194-C0593112.33145313-
O-AcetylcarnitineCAR 2:0ME760212-C0257111.00022125-
O-Acetyl-L-homoserineO-Acetyl-homoserineME760136-C0107711.10979545-
O-Acetylneuraminic acid-ME759863-C0352514.58281663-
OctadecanamideStearamideME759989-C138464.900936335-
O-Succinyl-L-homoserineo-SuccinylhomoserineME760170-C0111813.53740412-
PaeonolidePaeonolideME760008-C1071516.93698723-
PalmiticamidePalmitamideME759963--5.129534773-
p-aminobenzoate-β-D-glucopyranosyl ester-ME759894--16.5177948-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME759873--13.96970622-
PC(30:1)PC 30:1ME760050--4.169949961-
PC(32:0)PC 32:0ME760063--4.232408723-
PC(32:1)PC 32:1ME760062-C001574.160755557-
PC(34:1)PC 34:1ME760073--4.17937955-
PC(35:1)PC 35:1ME760075--5.107280114-
PC(36:2)PC 36:2ME760083--4.133398425-
PC(36:3)PC 36:3ME760082--4.073425413-
PC(36:4)PC 36:4ME760080--4.079425397-
PC(38:4)PC 38:4ME760093--4.057866629-
PC(40:6)PC 40:6ME760099--3.995768603-
PE(32:0)PE 32:0ME760047--4.152621535-
PE(34:3)PE 34:3ME760053--4.109377755-
PE(36:1)PE 36:1ME760064--4.177869815-
PE(37:3)PE 37:3ME760070--5.228403642-
PE(38:2)PE 38:2ME760074--4.11266864-
PE(39:1)PE 39:1ME760084--4.209597709-
PE(40:4)PE 40:4ME760085--4.836007245-
PE(41:5)PE 41:5ME760091--5.526554389-
PhaeantharinePhaeantharineME760052-C0960813.39738859-
Phe-ArgPhe-ArgME759937--12.99535976-
PhosphinothricinPhosphinothricinME760118-C0504216.11436456-
[PI(36:0)PI 36:0ME760086--3.805908346-
PiperidinePiperidineME760113-C0174611.16769622-
Polyoxyethylene dioleatePolyoxyethylene dioleateME760049--3.678158331-
Pro-ArgPro-ArgME759867--15.35176673-
Pro-Arg-HisPro-Arg-HisME759974--26.22872749-
Proclavaminic acidProclavaminic acidME760172-C0665812.7067244-
Procollagen 5-(D-galactosyloxy)-L-lysineGalactosylhydroxylysineME759890-C0554716.58813852-
Pro-HisPro-HisME759858--12.06319006-
PS(34:0)PS 34:0ME760061--3.652254168-
PS(34:1)PS 34:1ME760060--3.705666665-
PS(36:0)PS 36:0ME760072--3.653212978-
PS(36:2)PS 36:2ME760069--3.713996052-
PS(36:3)PS 36:3ME760068--3.720541172-
PS(36:5)PS 36:5ME760067--3.787545808-
PS(38:2)PS 38:2ME760081--3.633989604-
PS(38:3)PS 38:3ME760079--3.641639614-
PS(38:4)PS 38:4ME760078--3.757002355-
PS(40:3)PS 40:3ME760092--3.625426054-
PS(40:4)PS 40:4ME760090--3.640671889-
PS(40:5)PS 40:5ME760089--3.742278409-
PS(52:0)PS 52:0ME760110--3.74570624-
psicoselysinePsicosyllysineME759889--21.11199988-
PyridoxalPyridoxalME760188-C002508.131401647-
PyridoxinePyridoxineME760165-C003148.203448509-
RiboflavinRiboflavinME759966-C002558.718984236-
(R)-S-LactoylglutathioneS-LactoylglutathioneME759899-C0345111.90028127-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME759914-C0002113.59983858-
S-Adenosyl-L-methionineS-AdenosylmethionineME759934-C0001916.46133716-
serinol phosphate-ME760056--16.28319378-
S-Inosyl-L-homocysteineS-Inosyl-L-homocysteineME759913-C0343115.130749-
SM(d32:1)SM 32:1;O2ME760048--7.756640331-
SM(d33:1)SM 33:1;O2ME760051--7.755001751-
SM(d34:1)SM 34:1;O2ME760055--7.745515904-
SM(d34:2)SM 34:2;O2ME760054--7.749311427-
SM(d36:1)SM 36:1;O2ME760066-C005507.726016671-
SM(d36:2)SM 36:2;O2ME760065--7.72505528-
SM(d38:1)SM 38:1;O2ME760077-C005507.695199981-
SM(d38:2)SM 38:2;O2ME760076--7.684210332-
SM(d40:1)SM 40:1;O2ME760088-C005507.682360586-
SM(d40:2)SM 40:2;O2ME760087--7.686509843-
SM(d41:1)SM 41:1;O2ME760095--7.659781069-
SM(d41:2)SM 41:2;O2ME760094--7.67427742-
SM(d42:1)SM 42:1;O2ME760098-C005507.659293967-
SM(d42:2)SM 42:2;O2ME760097-C005507.675264393-
SM(d42:3)SM 42:3;O2ME760096--7.666871204-
SM(d43:2)SM 43:2;O2ME760100--7.6191519-
SM(d44:1)SM 44:1;O2ME760102-C005507.545838872-
SM(d44:2)SM 44:2;O2ME760101--7.571885949-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME760186-C0067014.27728715-
(S,S)-Np-Histidinylalanine-ME760200--12.22385635-
SuccinyladenosineSuccinyladenosineME759909--14.22564907-
TemurinTemurinME760192--9.512073898-
ThiaminThiamineME759874-C0037820.06612281-
Thiamin diphosphateThiamine diphosphateME759876-C0006814.49163748-
Thr-Ala-ProThr-Ala-ProME759884--15.27897186-
Thymidine glycol-ME759838--16.90283337-
TridemorphTridemorphME760003-C112857.820828169-
Trp-Trp-Tyr-Tyr-ME760059--10.49892273-
Val-ArgVal-ArgME759872--13.5726857-
ValganciclovirValganciclovirME759918--11.48058014-
Val-Gly-HisVal-Gly-HisME759900--17.54953848-
Vomicine-ME760025-C0925516.09463437-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole-ME760111--10.46460089-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME760155--16.00766258-
ε-aminocaproamide-ME760142--18.8915986-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(5-Phosphoribosyl)imidazole-4-acetate1-(5-Phosphoribosyl)imidazole-4-acetateME760225-C0443714.17660768-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one-ME760232-C047184.357427262-
1-Deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME760429-C0435914.5887771-
2,5,6-Trihydroxy-5,6-dihydroquinoline-ME760457-C0633916.51517902-
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME760451-C1154414.62643567-
2-C-Methyl-D-erythritol 4-phosphate-ME760389-C1143414.26407979-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME760239-C0458012.26180875-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME760294--3.763148464-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME760394-C0059614.69251131-
2-oxobut-3-enanoate-ME760377--7.809262894-
2-Oxobutanoate3-Methyl pyruvic acidME760378-C0010914.75317128-
2-Oxoglutaramate2-Keto-glutaramic acidME760398-C0094010.25867106-
2-Oxoglutarate2-Oxoglutaric acidME760396-C0002615.22613105-
2-Quinolinecarboxylic acidQuinaldic acidME760236-C063257.801696905-
3,4-Dihydroxymandelaldehyde3,4-DihydroxymandelaldehydeME760442-C0557714.903723-
3',5'-Cyclic AMP3',5' cyclic AMPME760221-C005759.291884422-
3-Ethylmalate-ME760404-C0198916.59325011-
3-Methyleneoxindole3-MethyleneoxindoleME760456-C027967.821406854-
3-Oxododecanoic acid3-Oxododecanoic acidME760254-C023674.303189387-
3-Phospho-D-glycerate3-Phosphoglyceric acidME760345-C0019716.6054386-
3-sulfopropanoate-ME760341--16.03440524-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME760219-C1135512.84529381-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME760408-C0603412.73375078-
4-Nitrophenyl-3-ketovalidamine-ME760258-C0399513.85028865-
5-Acetyl-2,4-dimethyloxazole5-Acetyl-2,4-dimethyloxazoleME760431--7.81010437-
5-Methyldeoxycytidine diphosphate-ME760234-C0418714.23773848-
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid-ME760267--4.240643176-
5-OxoprolinePyroglutamic acidME760397-C018799.962268852-
6-formyl-H2-pterin-ME760430--8.816674617-
6-Phospho-D-gluconate6-Phosphogluconic acidME760415-C0034516.75621872-
9-Oxononanoic acid9-Oxo-nonanoic acidME760450-C163224.793100022-
Acetyl-maltoseAcetyl-maltoseME760266-C0213015.22925104-
ADPADPME760227-C0000814.84603701-
ADP-riboseADP-riboseME760274-C0030114.53145631-
Ala-Ala-Asn-Ser-ME760262--13.41294161-
Ala-Ala-Asp-Cys-ME760260--12.76879374-
Ala-Asp-Asp-Gly-ME760259--16.71842397-
Ala-Asp-Gln-Tyr-ME760308--12.58532092-
Ala-Asp-Gly-Tyr-ME760289--14.07820218-
Ala-Gly-SerAla-Gly-SerME760437--12.48758748-
Ala-Met-Met-Met-ME760297--9.855246091-
Ala-Phe-Ala-Arg-ME760310--28.33024986-
Ala-Val-Asp-Ser-ME760276--12.33051777-
ApioleApioleME760249-C104294.209036382-
Arg-Cys-Cys-Tyr-ME760311--14.75074632-
Arg-Met-Ser-His-ME760304--12.6763052-
Arg-Phe-Phe-Arg-ME760330--14.6834058-
Asn-Cys-CysAsn-Cys-CysME760235--14.47888657-
Asn-Glu-Asp-Glu-ME760290--18.40866674-
Asn-Met-Asp-Gln-ME760292--10.83257543-
Asn-Val-Asp-Pro-ME760291--12.499672-
Asp-Asp-GlyAsp-Asp-GlyME760226--16.78138555-
Asp-Glu-Glu-Gly-ME760279--18.56293742-
Asp-Met-Met-Thr-ME760295--14.73161235-
Asp-Ser-Tyr-Tyr-ME760320--14.80922394-
ATPATPME760231-C0000216.11933776-
Butyl butyryllactate-ME760247--4.320515951-
CDP-ethanolamineCDP-EthanolamineME760246-C0057016.12843329-
ChenodeoxyglycocholateGlycochenodeoxycholic acidME760322-C054627.801173695-
chromate-ME760459--14.5029068-
chromopyrrolate-ME760313--15.11249167-
cis-Aconitatecis-Aconitic acidME760419-C0041717.37361367-
CitrateCitric acidME760421-C0015817.72261343-
CMP-2-aminoethylphosphonateCMPciliatineME760245-C0567315.10871976-
CoACoenzyme AME760312-C0001013.39892502-
Cys-Cys-Gln-Pro-ME760280--14.73746255-
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME760454-C0349214.8595396-
dADPdADPME760228-C0020614.02397817-
D-ArabinonateArabinonic acidME760387-C0087813.15499776-
dCDPdCDPME760448-C0070515.81003323-
dCMPdCMPME760446-C0023914.61723544-
DecitabineDecitabineME760433--13.23443678-
D-Erythrose 4-phosphateErythrose 4-phosphateME760384-C0027912.5014595-
D-FructoseFructoseME760413-C0009516.93682579-
D-GalacturonateGalacturonic acidME760406-C0033314.2504045-
D-Gluconic acidGluconic acidME760414-C0025713.74724625-
D-Glucono-1,5-lactoneGluconolactoneME760405-C0019811.65728177-
D-Glucose 6-phosphateGlucose 6-phosphateME760416-C0009216.88895916-
D-GlycerateGlyceric acidME760340-C0025811.48891671-
dihydrohomopteroate-ME760271--12.77693748-
D-Mannitol 1-phosphateMannitol 1-phosphateME760418-C0064414.96378693-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME760409-C0429916.65715701-
DocosahexaenoicacidDocosahexaenoic acidME760314-C064293.884250011-
Dodecanedioic acidDodecanedioic acidME760255-C026784.20993865-
D-RiboseRiboseME760386-C0012114.58170989-
D-Ribose 5-phosphateRibose 5-phosphateME760388-C0011715.32168595-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME760428-C0538215.99441357-
dTDPdTDPME760229-C0036314.3132281-
dTMPdTMPME760224-C0036412.68644683-
dTTPdTTPME760233-C0045915.57265104-
dUMPdUMPME760443-C0036513.50710729-
Ethanolamine phosphatePhosphoethanolamineME760329-C0034615.81279389-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME760427--4.777946218-
FA(16:1)Hexadecenoic acidME760282-C083623.958529559-
FA (17:0)Margaric acidME760287--3.981059103-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME760298-C007123.904303799-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME760293-C064273.931688896-
FA (20:0)Arachidic acidME760306-C064253.913207557-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME760305-C165263.86485583-
FA (20:4)Arachidonic acidME760303-C002193.900163162-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME760315-C165133.865368452-
FA hydroxy(16:0)] hexadecanoic acid-ME760283--4.118515928-
FA methyl(14:0) dodecanedioic acidDodecanedioic acidME760264--4.123468203-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME760270--4.066632577-
FA methyl(16:0)] tetradecanedioic acid-ME760277--4.024630298-
FA methyl(16:1)-ME760286--3.952750015-
FA oxo(13:0) tridecanoic acidTridecylic acidME760263--4.196917447-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME760269--4.120124262-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME760383-C0162011.99498564-
GalactinoldihydrateGalactinolME760256--13.80796567-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME760241-C0454412.70224908-
Gln-Leu-Lys-Tyr-ME760321--15.68113255-
Glu-Ala-IleGlu-Ala-IleME760268--10.83819898-
Glu-Cys-CysGlu-Cys-CysME760242--10.62725975-
Glu-Gly-ValGlu-Gly-ValME760251--12.45588233-
Glu-Ser-ValGlu-Ser-ValME760261--11.18381354-
Glutamyl-GlutamateGlu-GluME760223--14.28307816-
GlycerolGlycerolME760348-C0011610.29641289-
Glycerone phosphateDihydroxyacetone phosphateME760344-C0011115.06730438-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME760417-C0327412.41502461-
Gly-SerGly-SerME760385--14.2677728-
HEPES-ME760440--10.47942653-
His-Met-Thr-Pro-ME760302--17.08176524-
Hydantoin-5-propionateHydantoin-5-propionic acidME760420-C0556515.12150097-
HydroxymethylphosphonateHydroxymethylphosphonic acidME760458-C0645514.25395367-
Ile-AlaIle-AlaME760453--7.818200829-
Ile-Ala-GlyIle-Ala-GlyME760248--7.797011439-
IMPIMPME760222-C0013015.17804207-
IPC(d34:0)IPC 34:0;O2ME760354--4.275243759-
KinobscurinoneKinobscurinoneME760288-C1239111.75740414-
L-alpha-glutamyl-L-hydroxyproline-ME760230--12.58407192-
L-AspartateAspartic acidME760382-C0004914.74179775-
L-beta-aspartyl-L-serine-ME760424--15.43171666-
L-CysteineCysteineME760342-C0009716.15114997-
L-cysteine sulfinate-ME760343--14.24583978-
L-CysteinylglycinedisulfideCysteinylglycine disulfideME760438--15.0238472-
Leucyl-Hydroxyproline-ME760244--12.55315912-
LinoleateLinoleic acidME760296-C015953.93715759-
L-isoleucyl-L-prolineIle-ProME760243--7.804397768-
L-prolyl-L-glycinePro-GlyME760423--11.44896074-
LysoPE(18:1)LPE 18:1ME760317--7.797106298-
Marimastat-ME760278--4.796197546-
MesaconateMesaconic acidME760395-C0173214.6583645-
Met-Asp-ProMet-Asp-ProME760265--14.42675132-
Miroestrol-ME760300-C0883114.4524674-
N2-Succinyl-L-ornithineN2-SuccinylornithineME760449-C0341513.36673959-
N-(3-oxooctanoyl)-L-homoserine-ME760253--12.41877192-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME760252-C0454014.64872806-
N5-formyl-N5-hydroxy-L-ornithine-ME760411--11.61214306-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME760238-C1227012.43230743-
N-Acetyl-L-citrullineN-AcetylcitrullineME760436-C1553212.25202904-
N-AcetylmethionineN-AcetylmethionineME760425-C027127.806886827-
N-AcetylornithineN-AcetylornithineME760426-C004379.127347041-
NAD+NADME760307-C0000314.01995619-
NADHNADHME760309-C0000413.10810413-
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME760407-C0314014.54848232-
N-Carbamyl-L-glutamateCarglumic acidME760402-C0582916.28133144-
N-gamma-Acetyldiaminobutyrate-ME760410-C0644211.06193566-
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME760336-C0121014.79375738-
N,N'-DimethylureaN,N-DimethylureaME760346-C1636414.11061986-
N-Succinyl-LL-2,6-diaminoheptanedioateN-Succinyl-L,L-2,6-diaminopimelateME760240-C0442112.47766978-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME760285--3.780418199-
octulose 8-phosphateOctulose 8-phosphateME760439--16.4546854-
O-Phospho-L-serinePhosphoserineME760347-C0100516.16734257-
OrotateOrotic acidME760391-C002959.757129161-
OrotidineOrotidineME760220--11.92048537-
OrthophosphatePhosphoric acidME760460-C0000912.56468265-
OxalateOxalic acidME760325-C0020917.7795683-
PantothenatePantothenic acidME760452-C008648.537342995-
PC(31:1)PC 31:1ME760335--6.617295444-
PE(32:1)PE 32:1ME760332--4.538935407-
PE(36:3)PE 36:3ME760356--5.324974542-
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME760316--3.958943544-
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME760319--3.919928072-
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...-ME760318--3.925326337-
PG(32:1)PG 32:1ME760333--3.675853954-
PG(33:1)PG 33:1ME760334--3.655148967-
PG(34:1)PG 34:1ME760353--3.6626316-
PG(34:2)PG 34:2ME760352--3.653990666-
PG(34:3)PG 34:3ME760350--3.654007324-
PG(35:2)PG 35:2ME760357--3.672229195-
PG(35:3)PG 35:3ME760355--3.660880216-
PG(36:2)PG 36:2ME760360--3.653059435-
PG(36:5)PG 36:5ME760358--3.653040663-
PG(38:4)PG 38:4ME760366--3.63275733-
PG(38:5)PG 38:5ME760365--3.633086507-
PG(38:6)PG 38:6ME760364--3.635581255-
PG(40:5)PG 40:5ME760372--3.639566692-
PG(40:6)PG 40:6ME760371--3.628069814-
PG(40:7)PG 40:7ME760369--3.643356276-
PG(54:0)PG 54:0ME760401--3.682313553-
Phe-AspPhe-AspME760257--10.87075208-
Phe-GlyPhe-GlyME760237--7.811751003-
PhenolsulfonphthaleinPhenolsulfonphthaleinME760299-C126007.785590403-
phosphinomethylisomalate-ME760400--13.29174697-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME760376-C1348214.99140653-
PhosphoenolpyruvatePhosphoenolpyruvic acidME760338-C0007417.18174567-
PhosphonoacetaldehydePhosphonoacetaldehydeME760328-C0316714.85177288-
PhthalatePhthalic acidME760441-C0160614.23133402-
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'...-ME760323--7.78931462-
PI(34:2)PI 34:2ME760362--3.797195848-
PI(36:3)PI 36:3ME760368--3.800034262-
PI(36:4)PI 36:4ME760367--3.792152103-
PI(38:4)PI 38:4ME760374--3.806035065-
PI(38:5)PI 38:5ME760373--3.782501062-
PI(40:5)PI 40:5ME760375--3.786471891-
[PR] Abietic acidAbietic acidME760301-C060873.897748258-
PS(16:0/18:2(9Z,12Z))PS 16:0/18:2(9Z,12Z)*ME760351--7.214949989-
PS(36:4)PS 36:4ME760359--3.768230232-
PS(38:6)PS 38:6ME760363--3.758532333-
PS(40:6)PS 40:6ME760370--3.763795344-
Pyridoxine phosphatePyridoxine 5'-phosphateME760434-C0062713.54210313-
PyruvatePyruvic acidME760337-C0002214.46600078-
(R,R)-Tartaric acidTartaric acidME760381-C0089816.76361056-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME760403-C0600613.85760849-
(S)-2-Acetolactate(S)-2-AcetolactateME760399-C060107.809933356-
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)pro...MimosineME760432-C0477114.09007282-
S-Cysteinosuccinic acidS-Cysteinosuccinic acidME760422--16.88219795-
(S)-Dihydroorotate4,5-Dihydroorotic acidME760393-C0033710.80924479-
Serinyl-SerineSer-SerME760412--12.98841038-
(S)-LactateLactic acidME760339-C001869.213183363-
SlaframineSlaframineME760250-C061857.782183352-
(S)-MalateMalic acidME760380-C0014915.66692662-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME760455-C0122515.86416556-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME760390-C0123315.56769689-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME760349-C0009314.72213939-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME760331-C001954.105986468-
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineCer 18:1;O2/24:1ME760361-C001954.148554166-
Suberic acidSuberic acidME760435-C0827811.81914326-
SuccinateSuccinic acidME760379-C0004214.82787434-
Sucrose monopalmitate-ME760324--15.20571841-
SulfoacetaldehydeSulfoacetaldehydeME760326-C0059310.87855927-
SulfoacetateSulfoacetic acidME760327-C1417917.01048487-
Tetranor-PGF1alphaTetranor-PGF1alphaME760281-#N/A4.07212047-
ThymineThymineME760392-C001787.824840939-
Trp-AsnTrp-AsnME760272--9.779712486-
UDPUDPME760445-C0001516.13580783-
UDP-glucoseUDP-glucoseME760275-C0002915.99642817-
UDP-glucuronateUDP-glucuronic acidME760273-C0016718.56192716-
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME760284-C0020314.75580845-
UMPUMPME760444-C0010514.87357644-
UTPUTPME760447-C0007517.37777435-


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