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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
10-HydroxycarbazepineLicarbazepineME159081-C074934.512303091-
1,2,4-Trimethylbenzene1,2,4-TrimethylbenzeneME159109-C145334.124362066-
1,2-dioctanoyl-1-amino-2,3-propanediol-ME158877--4.801366138-
1(2H)-Isoquinolinone-ME159173-C0632411.59697331-
12-OPDA-ME159061-C012263.804087629-
1-5-diazabicyclononane-ME158806--21.46949085-
1-5-diazabicyclononane 2-ME159192--15.01040552-
1,6-anhydrous-N-Acetylmuramyl-tetrapeptideCyclopamineME158883--14.62936601-
1-deoxynojirimycin-ME158834-C1684311.34327808-
1-deoxyxylonojirimycin-ME158878--16.16865889-
1-Methylnicotinamide1-Methyl nicotinamideME158757-C0291824.49098027-
1-Nitronaphthalene1-NitronaphthaleneME159082-C140406.874745343-
2,3,4,5-Tetrahydrodipicolinate-ME159068-C0397216.4942098-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME158761-C004508.099210099-
2,3-DimethylmaleateDimethyl maleateME158999-C0092214.72623502-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME158914--12.98356021-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 2-ME159179--11.41265692-
2-Aminobutan-4-olideHomoserine lactoneME159143-C029268.156133849-
2-Dehydro-3-deoxy-L-rhamnonate-ME158994-C0397914.52076092-
2-Methylcholine2-MethylcholineME158951-C0222417.81285557-
2-monooleoylglycerolMG 18:1ME158808--3.868519943-
2-Phenyl-1,3-propanediol monocarbamate-ME159079-C165865.326872209-
3,4-Dehydrothiomorpholine-3-carboxylate-ME158819-C044457.592320405-
3,4-Dehydrothiomorpholine-3-carboxylate 2-ME158831-C044455.544719138-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME159114--4.127322438-
3,5-dihydro-5-methylidene-4H-imidazol-4-one-ME158967--7.686896242-
3-(ADP)-2-phosphoglycerate-ME159084-C0367317.50491396-
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME159053-C0540113.60705711-
3-Butylidene-7-hydroxyphthalidePhthalideME159092-C099214.012635303-
3-Butynoate3-Butynoic acidME158760-C0614411.09917401-
3-Dehydroteasterone3-DehydroteasteroneME158700-C157923.855235567-
3-(Dimethylamino)propyl benzoate3-(Dimethylamino)propyl benzoateME158890-C141687.819639488-
3-Hydroxy-L-kynurenineHydroxykynurenineME159064-C0322713.74068843-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME158720-C0125920.4179445-
3-Methoxyanthranilate-ME158770-C0583113.53645366-
3-methyl-1-heptene3-Methyl-1-hepteneME159099--3.863189728-
3-Methylcrotonylglycine3-MethylcrotonylglycineME158963--12.93875687-
3-Methyleneoxindole3-MethyleneoxindoleME159195-C027967.457873634-
3-nitro-2-pentanol-ME158927--8.585793747-
3-NitrotyrosineNitrotyrosineME159249--10.93952342-
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoa...-ME158912--4.89715798-
4,6-Dihydroxyquinoline4,6-DihydroxyquinolineME158791-C056398.485656592-
4-8dimethylnonanoylcarnitine-ME159131--3.883554862-
4-Aminobutanal4-AminobutyraldehydeME159009-C0055510.50862175-
4-Aminobutanoategamma-Aminobutyric acidME158675-C0033415.6304563-
4-Guanidinobutanal4-GuanidinobutanalME159040-C0264727.74677821-
4-Hydroxy-4-methylglutamate-ME158886-C0603413.45425925-
4-Hydroxycinnamyl aldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME158699-C056084.140772021-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME159056-C0368010.98345222-
4-PIOL-ME158850-C1371015.20381495-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME158756-C0118113.2100503-
5,6-DihydrothymineDihydrothymineME158759-C0090614.60581917-
5,6-Dihydrothymine 2DihydrothymineME158783-C009068.917316456-
5,8,13,13a-Tetrahydrocolumbamine(S)-TetrahydrocolumbamineME159201-C041189.913918997-
5-Aminopentanamide5-AminopentanamideME158726-C0099022.71002497-
5-Guanidino-2-oxopentanoate2-OxoarginineME159041-C0377114.08402968-
5-guanidino-3-methyl-2-oxo-pentanoate-ME158865--13.72111635-
5-Hydroxytryptophol5-HydroxytryptopholME158911--4.922897359-
5-Methoxytryptophol5-MethoxytryptopholME159174--5.862152266-
5-Methylcytosine5-MethylcytosineME158766-C023769.513730165-
5-Methylthioadenosine5'-MethylthioadenosineME158693-C001707.432928142-
5S-HETE di-endoperoxide5S-HETE di-endoperoxideME158943--3.88791063-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3...-ME158956-C048753.983812862-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-d...-ME159222-C048833.85478286-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME158788-C0554811.54054239-
7,8-benzoflavone7,8-BenzoflavoneME158946--5.366117786-
7alpha-Hydroxycholest-4-en-3-one7alpha-Hydroxy-4-cholesten-3-oneME158787-C054554.843321919-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME159005-C0265915.27658548-
AcetylagmatineAcetylagmatineME159236-C0213117.25695311-
AcetylcholineAcetylcholineME158780-C0199615.80559804-
Acetyl phosphateAcetylphosphateME158707-C0022716.61650169-
Ac-Tyr-OEtN-AcetyltyrosineME159119-C016574.419043264-
a Cysteine adduct-ME158815--17.66450678-
a Cysteine adduct 2-ME158825--15.07814877-
AdenineAdenineME158692-C001479.334870314-
Ala-Ala-AlaAla-Ala-AlaME159223--11.8721539-
Ala-Asn-GlyAla-Asn-GlyME159106--11.93176991-
Ala-Asp-Asp-Gln-ME158984--15.72487975-
Ala-Asp-Cys-Gly-ME159211--13.11350206-
Ala-Asp-Cys-Ser-ME158853--17.02840446-
Ala-Asp-GlyAla-Asp-GlyME158921--14.48818611-
Ala-Asp-Gly 2-ME159108--12.36408416-
Ala-Asp-Pro-Ser-ME159243--14.22325638-
Ala-Gln-ProAla-Gln-ProME158976--11.87707247-
Ala-Leu-Lys-Pro-ME158859--21.05014202-
Ala-Leu-Thr-Pro-ME158940--13.18214042-
Ala-Lys-Asn-His-ME158802--12.98904237-
Ala-Met-Pro-Tyr-ME159228--8.416438256-
Ala-ProAla-ProME158924--13.69784868-
Ala-Ser-SerAla-Ser-SerME159148--15.09065468-
Alatanin 2Alatanin 2ME159091--3.75500679-
allopurinolAllopurinolME159181-D0022415.1177464-
alpha-Methylstyrene-ME159096-C143954.127361282-
AMPAMPME158694-C0002013.47856972-
Anthranilate2-Aminobenzoic acidME159080-C0010811.68164868-
Arg-Asn-Pro-His-ME158874--17.5265406-
Arg-Asp-Asp-Gly-ME159121--16.97935244-
Arg-Leu-Asn-Asp-ME158821--14.47351036-
Arg-Met-Asn-Gln-ME159238--17.27276763-
Arg-Met-Asn-His-ME158971--11.09504266-
Arg-Met-Val-Asp-ME159237--17.33482277-
Asn-Asn-AsnAsn-Asn-AsnME159200--11.52227789-
Asn-Asn-Pro-His-ME159184--16.44646899-
Asn-AspAsn-AspME159098--15.59498429-
Asn-Cys-Pro-Ser-ME159231--13.8554368-
Asn-Leu-Asn-Tyr-ME158864--12.35193833-
Asn-ProAsn-ProME158929--14.002902-
Asn-TyrAsn-TyrME159085--12.64349852-
Asp-ArgAsp-ArgME159212--18.03842537-
Asp-Asp-GlyAsp-Asp-GlyME158842--18.17233063-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME158828--16.73209012-
Asp-Cys-GlnAsp-Cys-GlnME159164--14.78156242-
Asp-GlyAsp-GlyME158981--16.3521298-
Asp-Gly-ArgAsp-Gly-ArgME159141--17.61968851-
Asp-Gly-Arg 2-ME159158--15.61781313-
Asp-Gly-ProAsp-Gly-ProME158833--13.23519223-
Asp-Gly-Pro-Ser-ME159248--13.50956558-
Aspidofractine-ME159224-C0904012.92707529-
Asp-Leu-Ser-His-ME158980--17.48881223-
Asp-Met-Pro-Pro-ME159227--11.6788198-
Asp-Pro-SerAsp-Pro-SerME158879--13.82780226-
ATPATPME158660-C0000216.25996828-
BehenoylglycineBehenoylglycineME159190--3.797634421-
BendiocarbBendiocarbME158903-C144334.565341145-
Benzimidazole1H-BenzimidazoleME159230-C020097.467142975-
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME158706-C0534016.4730759-
beta-Carbolinebeta-CarbolineME158966--7.140957155-
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME158839--19.91343721-
BetaineBetaineME158677-C0071911.18814252-
Betaine aldehydeBetaine aldehydeME159037-C0057610.99788646-
Biotin amideBiotin amideME158769-C0189310.39891103-
Bis(2-ethylhexyl)phthalatebis(2-Ethylhexyl)phthalic acidME158814-C036903.859414172-
Bis(glycerophospho)-glycerol-ME158975-C0385315.108523-
Boc-Asn-ME159100-C014107.611412013-
ButenylcarnitineCAR 4:1ME159193--9.19739146-
Calophyllin BCalophyllin BME158800-C100547.374855825-
CarnosineCarnosineME159067-C0038615.59267734-
Casein K-ME158830-C0148312.53274697-
Casein K 2-ME158960-C014837.694574355-
CDP-cholineCytidine 5'-diphosphocholineME158752-C0030715.05159702-
CDP-ethanolamineCDP-EthanolamineME159070-C0057016.03755007-
CDP-ribitolCDP-ribitolME159071-C0078916.33922933-
CeruleninCeruleninME158901-C120589.873322038-
ChelilutineChelilutineME158958-C1222911.31995519-
CholineCholineME158686-C0011420.73626629-
Choline phosphateCholine phosphateME158767-C0058814.60087019-
cis-5-TetradecenoylcarnitineCAR 14:1ME158895--4.426051443-
CMPCMPME158798-C0005514.98462653-
CMP-2-aminoethylphosphonateCMPciliatineME159035-C0567314.98234833-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME159159-C0567414.07573311-
CodonopsineCodonopsineME159097-C1013711.46955632-
CostunolideCostunolideME159191-C093824.358841381-
CreatineCreatineME158741-C0030014.50209157-
CreatinineCreatinineME158684-C007919.634414829-
CTAB-ME158925-C112757.637166137-
CTPCTPME158796-C0006318.14905303-
Cyclo(deltaAla-L-Val)-ME158857-C1184613.3499655-
cyclo-dopa 5-O-glucosidecyclo-Dopa 5-O-glucosideME158977-C1775114.88732479-
CyclopamineCyclopamineME158884-C107987.48753841-
Cys-Lys-Met-Gln-ME159196--16.22977356-
Cys-Met-Tyr-Tyr-ME158826--13.50997569-
Cys-Thr-Cys-Cys-ME159233--16.73194434-
d1-piperidine-dicarboxylate-ME159203--9.48407332-
D-2-Amino-hexano-6-lactam-ME158805-C0532812.10249315-
DaminozideDaminozideME158809-C109967.549626334-
DasytrichoneDasytrichoneME158824-C100354.82549223-
Deacetoxycephalosporin CDeacetoxycephalosporin CME158795-C0656515.95097816-
DeoxyvasicinoneDeoxyvasicinoneME158961-C106595.329539096-
DethiobiotinDethiobiotinME159051-C0190911.89741616-
D-GalactosamineGalactosamineME158716-C0226226.19303807-
D-Galactosamine 2GalactosamineME158771-C0226211.24388949-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME158793-C0035216.79879342-
Diacetylhydrazine-ME159078-C1662213.63076301-
Diacetylmonoxime2,3-Butanedione monoximeME159142-C075095.376216117-
DiethanolamineDiethanolamineME158701-C0677211.150477-
Diethanolamine 2DiethanolamineME158705-C0677219.71880179-
dihydrocapsaicinDihydrocapsaicinME158942-C169523.766679326-
Dihydroneopterin phosphateDihydroneopterin phosphateME159076-C0592515.5828762-
di-n-Undecylamine-ME158968--7.416635313-
DL-2-Aminooctanoicacid2-Aminooctanoic acidME159152--13.17095735-
DL-Methionine sulfone-ME158810--11.87776248-
DMNT-ME159104--4.136209579-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME158736-C0429915.76687148-
DopaminequinoneDopamine quinoneME158729--11.85265285-
D-PipecolicacidD-Pipecolic acidME158898--11.07914595-
EctoineEctoineME158786-C0623112.89963326-
ElaidiccarnitineCAR 18:1(9E)ME158861--4.470328397-
EpinephrinesulfateEpinephrine sulfateME158840--13.13359824-
ErgothioneineErgothioneineME158748-C0557014.74249843-
Erythrulose 1-phosphate-ME159093-C0339412.56614852-
[FA (14:2)] 5,8-tetradecadienal5,8-TetradecadienalME159111--4.142607599-
[FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME158947--4.026080938-
[FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic aci...EPAME158773-C064283.92783923-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME159176--13.87947941-
[FA (6:0)] O-hexanoyl-R-carnitineCAR 6:0ME159130--7.447016658-
[FA (8:2)] 2,4-octadienal(E,E)-2,4-OctadienalME159102--4.133024-
[FA amino(11:0)] 11-amino-undecanoic acid11-Aminoundecanoic acidME158873--8.342585574-
[FA hydroxy(9:1)] 4-hydroxy-2-nonenal-ME158888--3.987968503-
[FA methyl(4:1)] 3-methyl-2-butenoic acidbeta,beta-Dimethyl acrylic acidME158900--15.50559801-
[FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-met...-ME159209--4.954739869-
[FA] O-Palmitoyl-R-carnitineCAR 16:0ME158775-C029904.553700774-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl...-ME159059-C047803.83547755-
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...N-(3-Oxo-hexanoyl)-homoserine lactoneME158926-C118395.238158888-
FasoracetamFasoracetamME159160-C133114.94032952-
FMLP-ME158777-C115967.941019012-
FolateFolic acidME158703-C0050416.34108188-
FructoselysineFructosyllysineME158887-C1648818.4614323-
Fructoselysine 2FructosyllysineME159126-C1648817.29226272-
Fructoselysine 6-phosphateFructoselysine 6-phosphateME159088-C1648916.02137502-
Furfural2-FurancarboxaldehydeME159136-C1427914.53298516-
[Fv] Desmosdumotin C-ME158803--4.045241208-
[Fv] Homoflemingin-ME158944--4.630010117-
[Fv] Ovalitenin A-ME159207--3.958752245-
Gamma-Aminobutyryl-lysinegamma-Aminobutyryl-lysineME158983--20.35641333-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME158764-C061149.215825985-
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME158704-C0571111.13112876-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME158991-C0569515.93131244-
GDPGDPME158709-C0003517.66519939-
Gentianaine-ME159144-C099605.100807581-
GlabraninGlabraninME159210-C097523.960670897-
GlaucaruboloneGlaucaruboloneME158801-C0876412.17655865-
Gln-Leu-Lys-His-ME158972--18.74938276-
Glu-ArgGlu-ArgME158804--18.07721943-
Glu-Arg 2Glu-ArgME159218--16.59734199-
Glu-AspGlu-AspME159161--17.10819202-
Glu-Glu-GluGlu-Glu-GluME158854--18.44773539-
Glu-GlyGlu-GlyME159232--15.01260705-
Glu-Lys-ValGlu-Lys-ValME158932--18.70945084-
Glu-Met-ThrGlu-Met-ThrME158965--11.90269798-
Glu-ProGlu-ProME159147--14.77418619-
Glutathione disulfideOxidized glutathioneME158721-C0012717.10050793-
Glu-ThrGlu-ThrME158866--14.41357807-
Glu-ValGlu-ValME159134--12.21524435-
Glycylprolylhydroxyproline-ME159225--13.83018644-
Gly-Pro-SerGly-Pro-SerME158847--9.553047042-
GTPGTPME158698-C0004419.07566652-
GuanidinoacetateGuanidoacetic acidME159052-C0058115.64788827-
GyromitrinGyromitrinME159170-C0830512.29897692-
HeptadecanoylcarnitineCAR 17:0ME159151--4.505559604-
HercynineHercynineME158735-C0557513.4501465-
Hercynine 2HercynineME159055-C0557512.15263601-
HexadecasphinganineC16 SphinganineME158923-C139157.0348675-
HexanoylcarnitineCAR(6:0)ME158891--5.253851182-
HexanoylglycineHexanoylglycineME158811--4.890820721-
HomoarginineHomoarginineME158862-C0192423.17226273-
HomocystineHomocystineME158794-C0181714.13388955-
Homostachydrine(S)-HomostachydrineME158928-C082839.54410507-
HydroxybutyrylcarnitineCAR 4:0;OHME158892--11.2947876-
HypaphorineLenticinME158919-C092138.681930913-
HypoxanthineHypoxanthineME158695-C0026210.01789696-
Ile-Met-Met-Thr-ME159115--12.66480879-
Ile-ProIle-ProME158899--12.93975751-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME159003-C0513014.81178269-
Imidazole-4-acetateImidazoleacetic acidME158779-C0283511.478247-
Imidazole lactateImidazolelactic acidME158750-C055689.525950011-
IndoleIndoleME159039-C0046311.59091441-
Indole 2IndoleME159047-C0046310.13992584-
Indole-3-acetamide1H-Indole-3-acetamideME159066-C026937.421902425-
indole-3-acetonitrile oxide-ME158952--6.165434253-
IndoleacrylicacidIndoleacrylic acidME159188--8.68181375-
Indoleamine-ME158904-C018197.280128071-
IridodialIridodialME158718-C060694.31612389-
IsopyridoxalIsopyridoxalME159054-C0605111.76952346-
IsoquinolineIsoquinolineME159180-C063238.679253693-
IsovalerylalanineIsovalerylalanineME158954--9.277946507-
(-)-jasmonoyl-L-isoleucine-ME159213--3.784902893-
ketoconazol-ME159220--4.822522926-
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME158743-C0428110.05883507-
L-1-Pyrroline-3-hydroxy-5-carboxylate 2-ME158997-C0428112.44371591-
L-2-Amino-6-oxoheptanedioate-ME158778-C0387117.01858411-
LactosamineLactosamineME158784-C0020315.94079514-
L-a-glutamyl-L-Lysine-ME158973--16.81688887-
L-AlanineAlanineME158669-C0004114.60427454-
L-ArginineArginineME158662-C0006224.14975721-
L-AsparagineAsparagineME158667-C0015215.182524-
L-CarnitineCarnitineME158676-C0048713.1459692-
L-CitrullineCitrullineME158689-C0032715.76207046-
Leu-AlaLeu-AlaME158913--12.21696696-
Leu-Asn-SerLeu-Asn-SerME159083--12.5338047-
Leu-AspLeu-AspME158941--13.57374178-
Leu-Asp-GlnLeu-Asp-GlnME159234--10.8694352-
Leucyl-leucineLeu-LeuME158822-C113324.780462863-
Leu-Gly-SerLeu-Gly-SerME158985--11.35663876-
Leu-Leu-ProLeu-Leu-ProME159127--12.68183491-
Leu-Lys-AspLeu-Lys-AspME159163--14.37846146-
Leu-Lys-ProLeu-Lys-ProME158867--21.25830051-
Leu-ProLeu-ProME158876--9.909244143-
Leu-SerLeu-SerME158948--11.76495926-
Leu-Thr-ThrLeu-Thr-ThrME158979--16.50120912-
Leu-Val-GlyLeu-Val-GlyME159239--13.90879678-
L-GlutamateGlutamic acidME158665-C0002514.37138765-
L-Glutamate methylester-ME159214-C050167.472194663-
L-GlutamineGlutamineME158661-C0006414.89463111-
L-glycyl-L-hydroxyprolineL-Glycyl-L-hydroxyprolineME159162--13.33146709-
L-HistidineHistidineME158671-C0013514.64125357-
L-HomocitrullineHomocitrullineME158894-C0242715.03719952-
L-Homocitrulline 2HomocitrullineME159183-C0242716.94304807-
LicheninLicheninME159154-C0047825.33369157-
LinamarinLinamarinME158722-C0159412.893081-
LinatineLinatineME158996-C0593912.64640542-
L-IndospicineIndospicineME158916-C0828822.05915747-
LinoelaidylcarnitineCAR 18:2(9E,12E)ME159139--4.501365417-
L-KynurenineKynurenineME158697-C0032810.83178908-
L-LeucineLeucineME158683-C0012311.2279198-
L-LysineLysineME158663-C0004722.86952234-
L-Lysine 1,6-lactam-ME158843-C0283713.71148231-
L-MethionineMethionineME158690-C0007311.5029712-
L-Methionine S-oxideMethionineME158781-C0298913.3608234-
LophophorineLophophorineME158902-C095734.689371054-
L-OrnithineOrnithineME158681-C0007722.19392526-
L-PhenylalaninePhenylalanineME158691-C0007910.16919198-
L-PipecolatePipecolic acidME158740-C0040812.29039533-
L-Pipecolate 2Pipecolic acidME159036-C0040821.65990505-
L-ProlineProlineME158674-C0014812.70588045-
L-proline amide-ME158945--11.17737307-
L-SerineSerineME158679-C0006515.66954309-
L-thiazolidine-4-carboxylate-ME158849--8.253926267-
L-TryptophanTryptophanME158758-C0007811.59441916-
L-TyrosineTyrosineME158672-C0008212.98096692-
L-Tyrosyl-L-arginineTyr-ArgME159246-C0299314.07324496-
L-ValineValineME158731-C0018312.40294661-
Lys-Asn-GlyLys-Asn-GlyME159089--15.65395358-
Lys-Asp-GlyLys-Asp-GlyME158917--15.97017844-
Lysergic acidLysergic acidME159155-C075415.043687224-
Lys-Lys-Met-Pro-ME158818--23.06678232-
LysoPC(17:0)LPC 17:0ME159006-C042304.569921884-
LysoPC(18:0)LPC 18:0ME158711-C042304.51580736-
LysoPC(18:1(9Z))LPC 18:1ME159021-C042304.551434619-
LysoPC(20:1(11Z))LPC 20:1(11Z)ME158710-C042304.454942257-
LysoPC(20:4(5Z,8Z,11Z,14Z))LPC 20:4ME159007-C042304.524008355-
LysoPC(22:4(7Z,10Z,13Z,16Z))LPC 22:4(7Z,10Z,13Z,16Z)ME158995-C042304.415924999-
LysoPC(O-18:0)LPC(O-18:0)ME159026-C043174.568751444-
LysoPE(0:0/18:2(9Z,12Z))LPE 18:2ME159135--4.588751544-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 20:5ME158823--4.671074856-
LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))LPE 22:4ME158829--4.408982782-
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))LPE 22:5ME159101--4.432095969-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))LPE 22:6ME159105--4.454735663-
Lys-ProLys-ProME158978--11.34887004-
Lys-Ser-Ser-Ser-ME159226--16.27735679-
Lys-Trp-AsnLys-Trp-AsnME159197--13.96462919-
Lys-ValLys-ValME158871--22.01850543-
Lys-Val-ValLys-Val-ValME158863--9.245350013-
MaleimideMaleimideME159245-C072728.526391376-
MaltoseMaltoseME158797-C0020816.1642471-
MedicagolMedicagolME158820--3.850936073-
metabolite 1-ME158744--3.820764414-
metabolite 2-ME159110--5.178625939-
metabolite 3-ME159123--15.93179868-
metabolite 4-ME159208--17.29773998-
Met-Ala-GlyMet-Ala-GlyME159175--12.530078-
Met-Ala-TyrMet-Ala-TyrME159241--12.69181567-
Met-Asp-GlyMet-Asp-GlyME158982--7.901083332-
Met-GlyMet-GlyME159242--12.5217249-
methiin-ME159118--10.54427456-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME158882-C0122314.02456709-
Methyl cinnamateMethyl cinnamateME158807-C063584.11587981-
Met-Met-GlnMet-Met-GlnME159244--18.17742067-
Met-Met-MetMet-Met-MetME159178--13.87739853-
Met-Met-ValMet-Met-ValME158835--12.64815776-
Met-Thr-AspMet-Thr-AspME159189--13.09090246-
Met-Trp-Trp-Tyr-ME158988--16.17775133-
mildronate-ME159177--11.98165454-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME158754-C058427.642542898-
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME158799-C0584310.92355073-
N1,N8-diacetylspermidine-ME159167--17.46850004-
N-(2,3-Dihydroxybenzoyl)-L-serineN-(2,3-Dihydroxybenzoyl)-L-serineME158989-C0420413.18266844-
N2-Acetyl-L-lysineN(2)-AcetyllysineME158685-C1298914.83671119-
N2-(D-1-Carboxyethyl)-L-arginineOctopineME159034-C0413717.20118926-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME158732-C0402017.19901558-
N2-Succinyl-L-arginine-ME158990-C0329612.88011427-
N2-Succinyl-L-ornithineN2-SuccinylornithineME159048-C0341513.52491118-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME158872--8.322947167-
N-(3-acetamidopropyl)-4-aminobutanalN-(3-Acetamidopropyl)-4-aminobutanalME158856--18.02631753-
N-(3-Oxooctanoyl)homoserine lactoneN-(3-Oxo-octanoyl)-homoserine lactoneME159219-C118414.372494649-
N4-AcetylaminobutanalN4-AcetylaminobutanalME158728-C059367.481261158-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME158936--11.50087516-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME159194-C0421017.16224991-
N6-Acetyl-L-lysineN6-AcetyllysineME158782-C0272712.50665285-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME158755-C0395510.92368272-
N6-Acetyl-N6-hydroxy-L-lysine 2N(6)-Acetyl-N(6)-hydroxy-lysineME159073-C039558.457177429-
N6-Hydroxy-L-lysineN(6)-Hydroxy-lysineME159077-C0102813.51597688-
N6-Methyl-L-lysineN(6)-MethyllysineME158869-C0272822.37439395-
N6,N6-DimethyladenosineN(6),N(6)-DimethyladenosineME158986-C034169.535799154-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME158763-C0379321.68670054-
N-Acetyl-ala-ala-ala-methylester-ME159247-C113295.37734885-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME158772-C1227013.77499825-
N-Acetyl-aspartyl-glutamate 2N-Acetyl-Asp-GluME159069-C1227016.51642973-
N-Acetyl-aspartyl-glutamate 3N-Acetyl-Asp-GluME159031-C1227015.42771163-
N-acetyl-demethylphophinothricin-ME158953--9.677104954-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME158930--11.97397736-
N-acetyl -D- glucosaminitol 2-ME158934--13.285909-
N-AcetylindoxylN-AcetylindoxylME159020-C022984.261037003-
N-acetyl-(L)-arginineN-AcetylarginineME158832--14.61278401-
N-Acetyl-L-citrullineN-AcetylcitrullineME158708-C1553212.36629233-
N-Acetyl-L-glutamateN-Acetylglutamic acidME158687-C0062413.84165579-
N-AcetylornithineN-AcetylornithineME158688-C0043715.50939203-
N-AcetylputrescineN-AcetylputrescineME159013-C0271419.83686877-
N-AcetylvanilalanineN-AcetylvanilalanineME159240--11.48585591-
NAD+NAD+ME158664-C0000313.63068867-
NADP+NADP+ME158668-C0000616.43895711-
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME159166-C037104.823326831-
N-Carbamoyl-L-aspartateCarbamoylaspartateME158739-C0043816.50557596-
N-Carbamyl-L-glutamateCarglumic acidME159045-C0582915.14780764-
N-DecanoylglycineN-DecanoylglycineME158905--4.618937275-
N-dimethylethanolamine-ME158908--18.03324274-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME158738-C0554521.4586391-
NeopterinNeopterinME158702-C0592613.70068853-
N-EthylglycocyamineN-EthylglycocyamineME158962-C0285213.42530117-
N-EthylmaleimideN-EthylmaleimideME158987-C024414.415407955-
N-Ethylmaleimide 2N-EthylmaleimideME159172-C0244112.07381678-
N-ethylsuccinimideN-EthylsuccinimideME158860--5.086416814-
N-Formimino-L-glutamateFormiminoglutamic acidME159022-C0043913.58382444-
NG,NG-Dimethyl-L-arginineDimethylarginineME158733-C0362621.56976556-
N-Heptanoylhomoserine lactoneN-Heptanoyl-homoserine lactoneME158909-C118444.706867701-
N-hydroxyvalineN-Hydroxy-valineME159185--7.41426483-
NicotinamideNiacinamideME158678-C001537.463728325-
nicotinamide ribosideNicotinamide ribosideME158719--23.73487063-
nitrocyclohexane-ME159138--4.862534531-
N,N-DimethylglycineDimethylglycineME159050-C0102613.6547054-
N-NonanoylglycineN-NonanoylglycineME158897--4.686931264-
N-(octanoyl)-L-homoserine-ME158868--8.006053825-
nornorcapsaicin-ME159165--4.113578421-
N-palmitoyl phenylalanineN-Palmitoyl phenylalanineME159116--3.725069048-
N(pi)-Methyl-L-histidine3-MethylhistidineME158734-C0115212.90369608-
N-stearoyl histidineN-Stearoyl histidineME159087--4.81647644-
N-stearoyl tyrosineN-Stearoyl tyrosineME159153--4.440230901-
N-succinyl-L-citrullineN(2)-Succinyl-citrullineME158845--8.112556505-
O-AcetylcarnitineCAR 2:0ME158753-C0257110.92948221-
O-Acetylcarnitine 2CAR 2:0ME159062-C025719.859313232-
O-Acetylneuraminic acid-ME158838-C0352514.52954802-
O-ButanoylcarnitineCAR 4:0ME158907-C028628.720522547-
OctylamineOctylamineME158964-C0174015.14426246-
O-Phospho-L-serinePhosphoserineME158792-C0100516.09389427-
O-PropanoylcarnitineCAR 3:0ME158920-C030179.715375256-
O-Succinyl-L-homoserineo-SuccinylhomoserineME158774-C0111815.26521722-
O-Succinyl-L-homoserine 2o-SuccinylhomoserineME158785-C0111814.11319766-
Ovothiol disulfide-ME158939--15.59151707-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME159095--14.09636399-
[PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadeceno...PC 14:0_18:1ME159027-C001574.001698859-
[PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadec...PC 14:0_18:2ME159004-C001574.017020218-
[PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphoch...LPC 14:0ME158742-C042304.764289261-
PC(14:1(9Z)/15:0)PC 14:1_15:0ME158712-C001573.60061597-
[PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-...PC 15:0/15:0ME159030-C001574.032305836-
[PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphoch...LPC 15:0ME159060-C042307.391431522-
[PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-...PC 16:0/16:0ME159043-C001573.997990956-
[PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...PC 16:0_18:1ME158749-C001573.972996458-
[PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...PC 16:0_18:2ME158737-C001573.978891521-
[PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...PC 16:0_18:3ME159012-C001573.9921202-
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...LPC 16:0ME158717-C042304.635113258-
[PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...PC 16:0_20:4ME159010-C001573.951586287-
[PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...PC 16:0_22:6ME159019-C001573.937276547-
[PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn...-ME158974--4.328157709-
PC(16:0/5:0(CHO))-ME159206--4.344364575-
PC(16:0/5:0(COOH))-ME159205--4.238681493-
PC(16:0/P-18:1(11Z))-ME159033-C001573.96069887-
[PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...LPC P-16:0 or LPC O-16:1ME159018-C042304.575203007-
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...LPC O-16:0ME159122-C139034.682993364-
[PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-...PC 18:0_22:4ME159044-C001573.896356359-
[PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...PC 18:0_22:5ME159042-C001573.899875839-
PC(18:0/P-18:1(11Z))-ME159049-C001573.949931773-
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...LPC 18:1ME159150--4.592374304-
[PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadec...PC 18:1/18:1ME159025-C001573.94469576-
[PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-...PC 18:1_20:3ME158725-C001573.911674426-
[PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13...-ME158730-C001573.905793792-
[PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-...LPC 18:2ME158727-C042304.588762441-
[PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-gl...-ME159090--4.390239631-
PC(22:2(13Z,16Z)/P-18:1(11Z))-ME159016-C001573.888816468-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)-ME159002-C001573.898200847-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME159029-C001573.898521376-
[PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaeno...LPC 22:6ME158993-C042304.471620493-
[PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-...-ME158893--4.771731412-
[PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-p...PE 16:0/16:0ME159046-C003503.614187643-
[PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...PE 16:0_18:2ME159000-C003503.817334207-
[PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...-ME159015-C003503.591685799-
[PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...PE 16:0_20:4ME159008-C003503.882570227-
[PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...PE 16:0_22:6ME159032-C003503.866487709-
[PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoeth...LPE 18:0ME159137--4.639872168-
[PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...LPE 18:1ME159169--7.393490409-
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...PE P-18:1/20:4 or PE O-18:2/20:4ME158713-C003503.840738424-
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))-ME159017-C003503.866858262-
[PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...LPE 20:4ME158827--4.517630376-
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))-ME159023-C003503.84509383-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME159011-C003503.838307102-
Perillyl alcoholPerillyl alcoholME159107-C024524.135698672-
Phe-GlyPhe-GlyME158836--11.34077129-
PhenylethylmalonamidePhenylethylmalonamideME158858-C074999.109226693-
Phe-ProPhe-ProME159198--8.774294463-
Phe-TrpPhe-TrpME159186--9.710972862-
PhosphocreatinePhosphocreatineME158673-C0230514.82728228-
PhosphonoacetaldehydePhosphonoacetaldehydeME159057-C0316714.49328812-
PicolinamidePicolinamideME159157-C0195013.70104079-
PiperidinePiperidineME158724-C0174614.66099066-
Pro-Arg-HisPro-Arg-HisME158885--27.19667328-
Pro-Arg-His 2-ME158933--14.17730149-
Pro-ProPro-ProME158959--11.69261315-
Pro-Ser-SerPro-Ser-SerME158851--13.54554495-
ProtoporphyrinProtoporphyrinME158790-C021917.197971172-
PS(12:0/15:0)PS 12:0_15:0ME158918--4.139380718-
PS(18:0/18:1(9Z))PS 18:0_18:1ME159063-C027374.005804927-
[PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...PS 18:0_20:4ME158715-C027373.639026775-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))PS 18:0_22:5ME158998-C027373.627812011-
PS(22:1(11Z)/0:0)LPS 22:1ME159202--4.372031769-
PS(36:2)PS 36:2ME158957--3.916789617-
PS(38:2)PS 38:2ME159199--4.043806011-
PS(38:5)PS 38:5ME159120--3.655850828-
PS(40:4)PS 40:4ME159132--3.640690883-
psicoselysinePsicosyllysineME158906--21.21234821-
PS(O-16:0/22:2(13Z,16Z))PS O-16:0/22:2ME159149--4.011139551-
PS(O-18:0/20:3(8Z,11Z,14Z))PS O-18:0/20:3ME159187--4.006242126-
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PS O-18:0/20:5ME159216--4.034936029-
PS(O-18:0/22:4(7Z,10Z,13Z,16Z))PS O-18:0/22:4ME159112--3.987193488-
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))PS O-20:0/20:5ME159140--4.000815697-
PyridoxalPyridoxalME158680-C002508.012744633-
PyridoxaminePyridoxamineME158745-C0053411.74885118-
PyridoxinePyridoxineME158670-C003148.047185851-
Quinolin-2-ol2-HydroxyquinolineME159221-C063384.523051714-
RetronecineRetronecineME158915-C0617713.43616515-
RiboflavinRiboflavinME158768-C002558.525091535-
RicinineRicinineME159133-C015267.669951617-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME158696-C0002113.47281389-
S-Adenosyl-L-methionineS-AdenosylmethionineME158747-C0001916.51303136-
(-)-SalsolinolSalsolinolME158837-C096429.102289878-
SanguinarineSanguinarineME158938-C0616213.34066661-
S-Butyl-DL-homocysteine-[S,R]-sulfoximine-ME159217-C045438.868814189-
(S)-Coclaurine(S)-CoclaurineME158723-C061614.684417664-
SlaframineSlaframineME158855-C0618510.94030926-
Slaframine 2SlaframineME158922-C061859.600306954-
SM(d16:1/18:1)SM 16:1;O2/18:1ME159117--4.218314407-
SM(d16:1/22:1)SM 16:1;O2/22:1ME159128--4.133557344-
SM(d18:0/24:1(15Z)(OH))SM 18:0;O2/24:1;OME159028-C005504.150618963-
SM(d18:1/14:0)SM 18:1;O2/14:0ME159125--4.248740398-
SM(d18:1/17:0)SM 18:1;O2/17:0ME159145--7.181318328-
SM(d18:1/18:0)SM 18:1;O2/18:0ME159014-C005507.157334309-
SM(d18:1/18:1(9Z))SM 18:1;O2/18:1ME159001-C005504.180522037-
SM(d18:1/22:0)SM 18:1;O2/22:0ME159038-C005504.09373842-
SM(d18:1/22:1(13Z))SM 18:1;O2/22:1ME158765-C005506.894623018-
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1ME158714-C005504.083980509-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME158682-C0067014.30695632-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME158776-C0123315.32512143-
(S)-Norcoclaurine(S)-NorcoclaurineME159074-C0616011.97225197-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME159024-C001953.822594544-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phos...SM 18:1;O2/16:0ME158841--4.215772172-
[SP (2:0)] sphinga-4E,14Z-dienine4E,14Z-SphingadieneME158937--4.140742666-
[SP] 3-dehydrosphinganine3-KetosphinganineME158746-C029347.042811817-
[SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,...AplidiasphingosineME158844--3.953386025-
[SP hydrox] 6-hydroxysphing-4E-enine6-HydroxysphingosineME158881--3.979286741-
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME159075-C061247.424401828-
[SP] Sphinganine-1-phosphateSphinganine 1-phosphateME159072-C011207.429138335-
S-SuccinylglutathioneS-SuccinylglutathioneME158935-C0317415.90419508-
[ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-olZymosterolME159058-C054374.946189519-
[ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,1...CE 10:0ME158992-C025303.791014474-
[ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10...-ME158813--3.897836333-
[ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,...-ME158817--3.855020078-
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol7-Dehydro-desmosterolME159065-C051073.881919672-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME158852--5.243739259-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 23-Deoxyvitamin D3ME158889--3.796802398-
StachydrineStachydrineME158910-C1017210.61631077-
StearoylcarnitineCAR(18:0)ME159171--4.442496695-
[ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pe...-ME159235-C143039.125223202-
SuberylglycineSuberylglycineME159229--9.472577468-
Succinyl prolineSuccinylprolineME158955-C1171111.75243361-
TazettineTazettineME159086-C121794.084024021-
Tenuazonic acidTenuazonic acidME159168-C085114.790852352-
TetradecanoylcarnitineCAR 14:0ME158880--4.697790427-
TetrapentylammoniumTetrapentylammoniumME158816-C138157.461457396-
ThalicsessineThalicsessineME158848-C0871410.72427046-
ThiaminThiamineME158666-C0037821.39037499-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME158949-C0390113.2486113-
Thiomorpholine 3-carboxylate 2Thiomorpholine-3-carboxylic acidME158969-C0390114.66267427-
Thr-AlaThr-AlaME158870--13.86560244-
Thr-Ala-AspThr-Ala-AspME159124--14.37987924-
Thr-CysThr-CysME158896--12.38357981-
Thr-Cys 2Thr-CysME158970--8.350699151-
trans-Hexadec-2-enoylcarnitineCAR 16:1(2E)ME159156--4.590709332-
Tributyl phosphateTributyl phosphateME158875-C144394.015842908-
Tris(butoxyethyl)phosphate-ME158846-C144463.941693047-
Trp-Trp-Tyr-Tyr-ME159129--10.5704306-
Tyr-OEt-ME159215-C014584.400311185-
UDPUDPME158762-C0001516.08096802-
UrethaneEthyl carbamateME158812-C015377.479244482-
Urethane 2Ethyl carbamateME159113-C015378.545009507-
UrocanateUrocanic acidME158789-C007857.232823886-
Val-Asn-AspVal-Asn-AspME159103--14.14770593-
ValeroidineValeroidineME159204-C108694.889973795-
Val-GlyVal-GlyME158950--13.50702388-
Val-Pro-ArgVal-Pro-ArgME158931--13.88794284-
Val-SerVal-SerME159146--13.30661269-
VerticinePeimineME159182-C108303.702298645-
(Z)-4-Hydroxyphenylacetaldehyde-oxime-ME158751-C043536.120559584-
ZAPAZAPAME159094-C1369513.66520114-


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-Hydroxydecanoic acid10-Hydroxydecanoic acidME159728-C027744.027718347-
10-Oxodecanoate10-Oxodecanoic acidME159763-C022174.21588438-
10-oxogeranial-ME159615-C176224.321411204-
1,2-dioctanoyl-1,2,6-hexanetriol-ME159685--3.672146897-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME159404-C083174.298216045-
1,4-Bis(2-ethylhexyl) sulfosuccinate2-MethylacetophenoneME159516-C078743.589424674-
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamid...AICA ribonucleotideME159544-C0467714.78053131-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-oneME159727-C047184.75861349-
16-hydroxypalmitateJuniperic acidME159747--3.785166664-
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME159570-C0123414.06810775-
1-Aminocyclopropane-1-carboxylate 21-Aminocyclopropanecarboxylic acidME159585-C0123419.88854713-
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chlo...-ME159721--13.95355456-
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthal...-ME159637-C147914.114335347-
(1S,2R,4S)-(-)-Bornyl acetate(1S,2R,4S)-Bornyl acetateME159714-C098373.935508216-
2,2-Iminodipropanoate-ME159440-C032109.28994027-
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME159658-C0333814.84536388-
2,3-Bisphospho-D-glycerate2,3-Diphosphoglyceric acidME159250-C0115918.11897433-
2,7-Anhydro-alpha-N-acetylneuraminic acid-ME159706-C0452112.98489284-
2-(Acetamidomethylene)succinate-ME159625-C0121514.52019103-
2-Acetolactate2-AcetolactateME159567-C0090014.65585487-
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphateME159779-C0464114.11715499-
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME159361-C1154414.21388718-
2-Aminoacrylate2-Aminoacrylic acidME159551-C0221819.91020047-
2-Aminomalonate semialdehyde-ME159517-C1182210.70862058-
2-ButenoateCrotonic acidME159689-C0177114.65984707-
2-Butyne-1,4-diolBut-2-yne-1,4-diolME159655-C0249717.85618778-
2-Dehydro-3-deoxy-D-gluconateGluconolactoneME159378-C0020412.10267619-
2-Dehydro-3-deoxy-L-arabinonatePseudouridineME159574-C0068412.40692041-
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME159483-C0292815.88502994-
2-Dehydro-D-xylonate 2(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME159667-C0292812.88424578-
2-Deoxymugineic acid-ME159439-C1548516.42090621-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME159411-C033433.854516238-
2-Formaminobenzoylacetate-ME159300-C058354.982896075-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME159679--7.389492849-
2-Hydroxy-2,4-pentadienoate-ME159572-C0059614.66637808-
2-Hydroxybutane-1,2,4-tricarboxylateHomocitric acidME159321-C0125116.97978351-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME159328-C0512310.6700773-
2-Hydroxyethanesulfonate 22-HydroxyethanesulfonateME159576-C051237.358446641-
2-hydroxymethanesulfonate-ME159492--12.96776904-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME159560-C0469019.91435838-
2-Octenedioicacid2-Octenedioic acidME159704--7.301107833-
2-OxoadipateOxoadipic acidME159587-C0032214.39685784-
2-Oxoglutaramate2-Keto-glutaramic acidME159305-C009407.546246523-
2-OxoglutarateOxoglutaric acidME159275-C0002615.35135908-
2-Oxooctadecanoic acid2-Oxo-octadecanoic acidME159505-C008693.752289881-
2-oxosuberate-ME159406-C1658914.88635245-
2-Oxosuccinamate2-Oxosuccinamic acidME159384-C023628.813233576-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME159498-C063269.556933025-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 2-ME159687-C0632610.93373349-
2-(sulfomethyl)thiazolidine-4-carboxylate-ME159395--15.97342187-
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME159481-C034614.250755268-
3,4-dihydroxybenzylamine3,4-DihydroxybenzylamineME159426--7.424162462-
3,4-Dihydroxymandelaldehyde3,4-DihydroxymandelaldehydeME159389-C0557715.01326346-
3,4-Dihydroxypyridine-ME159678-C0293219.90296628-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME159351-C011797.681496925-
3,6,8-Trimethylallantoin-ME159296-C1636213.05630054-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME159765--4.219741561-
3-acetyl pyridine adenine dinucleotide-ME159506--16.94925956-
3-(ADP)-glycerate-ME159772-C0250916.32327744-
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-alME159379-C013013.952326394-
3beta-Hydroxyandrost-5-en-17-one 3-sulfateDehydroepiandrosterone sulfateME159553-C045553.759665469-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME159733--4.697019176-
3-Dehydrocarnitine3-DehydrocarnitineME159543-C0263613.37404645-
3-Dehydroquinate3-DehydroquinateME159374-C0094414.07820021-
3-dimethylsulfoniopropionaldehyde-ME159660--14.62945674-
3-hydroxyacyl group of bacterial toxin-ME159611-C115484.204818596-
3-Hydroxydodecanedioicacid3-Hydroxy-dodecanedioic acidME159760--4.793915733-
3-Methylbutanoic acidIsovaleric acidME159588-C082627.408236302-
3-Phospho-D-glycerate3-Phosphoglyceric acidME159253-C0019716.71888783-
3-Phospho-D-glyceroyl phosphate3-Phospho-D-glyceroyl dihydrogen phosphateME159289-C0023615.6639721-
3-Phosphonopyruvate-ME159362-C0279815.88967402-
(3R)-beta-Leucinebeta-LeucineME159319-C0248613.89791157-
3-Sulfino-L-alanine3-Sulfino-alanineME159295-C0060614.22200791-
3-Sulfolactate3-Sulfolactic acidME159367-C1606917.32563292-
3-sulfopropanoate-ME159432--16.26064025-
4-(2-Aminophenyl)-2,4-dioxobutanoate4-(2-Aminophenyl)-2,4-dioxobutanoic acidME159293-C012527.413209974-
4-(2-Aminophenyl)-2,4-dioxobutanoate 24-(2-Aminophenyl)-2,4-dioxobutanoic acidME159578-C0125213.74228758-
4-Amino-4-deoxychorismate-ME159608-C1135513.07107597-
(4E)-2-Oxohexenoic acid2-Oxo-4E-hexenoic acidME159491-C067614.786297273-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME159451-C029487.295139058-
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeME159375-C0479614.66635927-
4-Methylene-L-glutamate-ME159445-C0065113.28659512-
4-Methylpentanal4-MethylpentanalME159294-C023734.194767726-
4-Nitroaniline4-NitroanilineME159463-C0212612.06429961-
4-Nitrophenyl-3-ketovalidamine-ME159778-C0399514.16548123-
4-Oxoglutaramate4-Oxoglutaramic acidME159552-C0557216.69484894-
4-Propylphenol4-PropylphenolME159510-C143114.749775934-
5,6-Dihydroxyindole-2-carboxylate5,6-Dihydroxyindole-2-carboxylic acidME159390-C041857.413560862-
5-Acetamidopentanoate5-Acetamidovaleric acidME159306-C030877.411103012-
5-Acetamidopentanoate 25-Acetamidovaleric acidME159359-C0308711.91618977-
5beta-Cyprinolsulfate5beta-Cyprinol sulfateME159287-C054683.936684844-
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone-ME159447-C0129513.75669329-
5-Dehydro-4-deoxy-D-glucarate-ME159338-C0067915.10560376-
5-Deoxy-5-aminoshikimic acidAminoshikimateME159418-C1212119.65427213-
5-Hydroxycotinine-ME159601--7.47978605-
5-Hydroxyectoine5-HydroxyectoineME159620-C1643213.47887845-
5-Hydroxyisourate5-Hydroxyisouric acidME159612-C1182113.04983414-
5-Hydroxypentanoate5-Hydroxyvaleric acidME159675-C028047.411303389-
5-Phenyl-1,3-oxazinane-2,4-dione-ME159631-C165964.511756679-
6-Acetyl-D-glucose6-AcetylglucoseME159677-C0265515.77952844-
6-Acetyl-D-glucose 2-ME159695-C0265514.01298361-
[6]-GingerolGingerolME159482-C104623.917712019-
(+/-)-6-Hydroxy-3-oxo-alpha-ionone-ME159758-C042234.360909132-
6-Phospho-D-gluconate6-Phosphogluconic acidME159259-C0034517.4771367-
(6Z)-Octadecenoic acid6-Octadecylenic acidME159457-C083636.002920268-
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one7alpha,12alpha-Dihydroxy-5beta-cholestan-3-oneME159621-C054534.24859254-
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME159713--3.918743452-
8-keto-7-aminoperlagonate-ME159726--4.821822591-
9-Oxononanoic acid9-Oxo-nonanoic acidME159616-C163224.586600407-
(9Z)-Hexadecenoic acidPalmitoleic acidME159597-C083623.799986921-
(9Z)-Tetradecenoic acidMyristoleic acidME159740-C083223.865226166-
Abscisic acid glucose ester-ME159368-C159704.359858031-
Abscisic aldehydeAbscisic aldehydeME159624-C134554.303040875-
Acetyl-CoAAcetyl-CoAME159308-C0002412.07006829-
ADPADPME159322-C0000814.80991224-
ADP ribose 1,2-phosphate-ME159684--16.43466417-
A-Ketoglutaricacidoximealpha-Ketoglutaric acid oximeME159518--7.901420539-
Ala-Asn-AspAla-Asn-AspME159737--15.12556037-
Ala-AspAla-AspME159690--16.05518144-
Ala-Asp-AspAla-Asp-AspME159430--16.76408036-
Ala-Asp-SerAla-Asp-SerME159659--14.71114762-
Ala-Ser-HisAla-Ser-HisME159736--14.49270986-
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME159329-C0615615.15128039-
alpha-D-Glucosamine 1-phosphate 2Glucosamine 1-phosphateME159352-C0615611.9882061-
alpha-D-GlucoseGlucoseME159337-C0026722.84381013-
alpha-D-MannoheptulopyranoseManno-heptuloseME159473-C0823612.10324462-
alpha-(Methylenecyclopropyl)glycineCPD-9757ME159670-C0829223.00401696-
ancymidolAncymidolME159458--4.449309285-
ApioleApioleME159427-C104294.229775747-
ArecolineArecolineME159422-C101294.721362009-
Arg-Cys-Gln-Tyr-ME159474--14.53687798-
Arg-Leu-Val-Asn-ME159452--21.68590165-
AscorbateVitamin CME159354-C0007215.01768904-
Asn-Asp-Asp-Pro-ME159775--14.33869643-
Asn-Asp-GlyAsn-Asp-GlyME159725--15.65096276-
Asn-Gln-Tyr-His-ME159535--12.2266304-
Asn-GlyAsn-GlyME159391--12.85239063-
Aspartyl-L-prolineAsp-ProME159446--15.22175385-
Asp-AspAsp-AspME159442--17.15169671-
Asp-Asp 2Asp-AspME159529--12.8195013-
Asp-GlnAsp-GlnME159705--17.00572398-
Asp-Gly-SerAsp-Gly-SerME159780--15.5303863-
Asp-Gly-TyrAsp-Gly-TyrME159773--14.01078596-
AspidinolAspidinolME159770-C106733.954860271-
Asp-Leu-Lys-Lys-ME159467--22.05928952-
Asp-Met-Cys-Cys-ME159534--14.32314546-
Asp-SerAsp-SerME159665--15.4834702-
BenzoateBenzoic acidME159256-C001807.409190517-
BenzofuranBenzofuranME159673-C145124.261381204-
beta-D-GlucoseGlucoseME159353-C0022126.42916025-
BotrydialBotrydialME159729-C096223.88670908-
Brassicanal ABrassicanal AME159749-C110484.422050014-
Butanoic acidButyric acidME159318-C002467.415586724-
CAI-1-ME159417-C166403.893814148-
CamoensineCamoensineME159683-C107588.458324033-
CantleyineCantleyineME159397-C099334.799109813-
CapryloylglycineCapryloylglycineME159401--7.379727018-
Capryloylglycine 2CapryloylglycineME159499--4.707806044-
CardiosperminCardiosperminME159449-C0832812.9881462-
CDPCDPME159627-C0011216.78618466-
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME159738--3.866242986-
CholesterolsulfateCholesterol sulfateME159686--3.588732049-
cis-1,2-Dihydro-3-ethylcatecholcis-1,2-Dihydro-3-ethylcatecholME159634-C0672711.91996894-
cis-3-Chloroacrylic acidcis-3-Chloroacrylic acidME159638-C066157.671277397-
CitrateCitric acidME159257-C0015817.89231851-
Clitidine 5-phosphateClitidine 5'-phosphateME159681-C0842913.43067476-
CMP-N-acetylneuraminateCytidine monophosphate N-acetylneuraminic acidME159619-C0012814.9412333-
CoA-glutathioneGlutathionyl-CoAME159444-C0092016.75938181-
Cyanuric acidCyanuric acidME159632-C0655411.64030592-
Cyclic ADP-riboseCyclic ADP-riboseME159546-C1305013.79301929-
Cyclohexane-1,3-dioneCyclohexane-1,3-dioneME159741-C010664.399335853-
Cys-Met-Met-Phe-ME159525--12.55013809-
Cys-Met-Pro-His-ME159464--14.42601517-
Cys-Thr-Ser-Tyr-ME159502--10.01238902-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME159377-C0099311.11332472-
dATPdATPME159297-C0013115.43068074-
Decanoic acidCapric acidME159268-C015714.0660057-
DehydrojuvabioneDehydrojuvabioneME159503-C096573.711209962-
Demethyltorosaflavone DDemethyltorosaflavone DME159698--4.812966883-
D-FructoseFructoseME159265-C0009512.848369-
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME159252-C0035417.76309756-
D-GalactoseGalactoseME159373-C0012424.226259-
D-GalacturonateGalacturonic acidME159357-C0033314.35672201-
D-GlucarateGlucaric acidME159343-C0081816.78227863-
D-Gluconic acidGluconic acidME159280-C0025713.48671778-
D-GlucoseGlucoseME159264-C0022114.73953274-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME159575-C0011814.98403848-
D-GlycerateGlyceric acidME159303-C0025811.7669498-
DichloroacetateDichloroacetic acidME159639-C111497.395475873-
DiethofencarbDiethofencarbME159521-C110774.056531579-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME159493-C040674.816468122-
Diethyl adipate-ME159508-C145664.303080785-
dihomocitrate-ME159730-C1658317.37592473-
D-MannoseMannoseME159355-C0015925.31756766-
D-Mannose 6-phosphateMannose 6-phosphateME159342-C0027514.84969202-
DocosahexaenoicacidDocosahexaenoic acidME159604-C064293.725446905-
Docosanoic acidBehenic acidME159605-C082813.697852352-
Dodecanedioic acidDodecanedioic acidME159768-C026784.117562882-
D-ProlineD-ProlineME159304-C0076324.17565184-
D-Ribose 5-phosphateRibose 5-phosphateME159260-C0011715.22520022-
D-Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME159301-C0538215.9315475-
D-SorbitolSorbitolME159274-C0079413.92128727-
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose-ME159399-C0661810.16924776-
dXMP-ME159471--15.05817523-
D-XylonolactoneD-Xylono-1,5-lactoneME159347-C0226614.82876622-
D-XyluloseXyluloseME159562-C0031014.69150863-
EcgonineEcgonineME159443-C1085811.01628286-
ethanedisulfonate-ME159408-D0733010.42713503-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME159756--4.614501026-
Ethyl 3-oxohexanoateEthyl 3-oxohexanoateME159720-C029757.377532875-
ethylpyruvate-ME159468--4.843604417-
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME159744-C038644.597244977-
[FA (10:1/2:0)] 2E-Decenedioic acid-ME159764--4.650442814-
[FA (11:0)] undecanoic acidUndecylic acidME159419--3.996659899-
[FA (11:1)] 10-undecenoic acid10-Hendecenoic acidME159454-C139104.014645772-
[FA (13:0/2:0)] Tridecanedioic acidTridecanedioic acidME159431--4.808469626-
[FA (13:2)] 3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME159476--3.8754903-
[FA (14:0/2:0)] Tetradecanedioic acidTetradecanedioic acidME159393-C110024.13338501-
[FA (14:2)] 5,8-tetradecadienoic acid5,8-Tetradecadienoic acidME159715--3.82695642-
[FA (17:0)] heptadecanoic acidMargaric acidME159490--3.768823628-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME159323-C007123.758274481-
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic...9S-HpODEME159345-C148273.865259494-
[FA (18:2)] 9Z,11E-octadecadienoic acidRumenic acidME159349-C040567.322869429-
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatri...13S-HpOTrEME159595-C047853.851340254-
[FA (20:0)] 11Z-eicosenoic acidcis-Gondoic acidME159591-C165263.732586802-
[FA (20:0/2:0)] Eicosanedioic acidEicosanedioic acidME159478--3.704954366-
[FA (20:0)] eicosanoic acidArachidic acidME159366-C064253.721054209-
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic ...-ME159524--3.731355337-
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acidArachidonic acidME159584-C002193.807348739-
[FA (22:0)] 13Z-docosenoic acidcis-Erucic acidME159386-C083163.70960738-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME159365-C165273.721345899-
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME159626-C083233.677698684-
[FA (8:0)] octanoic acidCaprylic acidME159282-C064234.349274454-
[FA (8:1)] 2Z-octenoic acid-ME159745--4.348771107-
FADFADME159283-C0001611.19496882-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME159742--3.834918564-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid4,7-Dioxo-octanoic acidME159507--10.75295341-
FagomineFagomineME159459-C1014412.07788674-
Fagomine 2FagomineME159703-C1014413.14336898-
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid-ME159649--4.106726808-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME159759--4.754454839-
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid-ME159515--3.998499335-
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid-ME159751-C030453.815741559-
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadien...9S-HODEME159596-C147673.783816036-
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicos...15S-HETEME159541-C047423.815943556-
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid-ME159480--4.815226598-
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc ...2,4-Dihydroxy-2-heptenedioic acidME159312-C0620110.71272044-
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxyp...-ME159523--7.830176152-
[FA methyl(14:0)] 12-methyl-tetradecanoic acid-ME159739-C166653.812900637-
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol-ME159423--4.063748093-
[FA methyl(6:0)] 2-methyl-hexanoic acid-ME159497--4.539999815-
[FA] Methyl jasmonateMethyl jasmonateME159617-C115124.196247043-
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acidTraumatinME159381-C163094.041198109-
[FA oxo(16:0)] 3-oxo-hexadecanoic acid3-Ketopalmitic acidME159743--3.773339451-
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic...15-Deoxy-delta-12,14-PGJ2ME159316-C147174.067060256-
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl...-ME159753--4.214459769-
[FA oxo(7:0)] 2-oxo-heptanoic acid-ME159754--4.322040085-
[FA oxo(8:0)] 3-oxo-octanoic acid-ME159512--4.5252823-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME159315-C0365614.19925421-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 2(S)-5-Amino-3-oxohexanoateME159360-C0365612.62464727-
Farnesoic acidFarnesoic acidME159403-C165023.887055908-
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...9,12,13-TriHOMEME159341-C148334.395887348-
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic aci...-ME159479--16.18132116-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME159292-C0162012.3391338-
Flaccidin BFlaccidin BME159400-C089434.829686674-
FumarateFumaric acidME159272-C0012214.7608308-
Furfural diethyl acetal-ME159511-C142804.26365718-
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2...-ME159776--4.819839767-
GalactinoldihydrateGalactinolME159694--13.8503126-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME159456-C0454412.91787267-
GDP-L-fucoseGDP-L-fucoseME159334-C0032517.31727051-
GDP-mannoseGDP-mannoseME159261-C0009617.93791257-
Gentisate aldehydeGentisate aldehydeME159299-C055854.785461819-
Gentisyl alcoholGentisyl alcoholME159710-C1079212.85188505-
Glu-Asp-CysGlu-Asp-CysME159438--11.34152157-
Glu-Asp-MetGlu-Asp-MetME159504--15.03814012-
Glucosyl sphingosinePsychosineME159663--4.554659178-
Glu-Cys-CysGlu-Cys-CysME159398--11.49791357-
Glu-Cys-Cys 2-ME159522--16.19997823-
Glu-GluGlu-GluME159488-C0142516.79268387-
Glu-Glu 2Glu-GluME159530-C0142513.02297605-
Glu-LeuGlu-LeuME159441--10.83217662-
Glu-Met-Cys-His-ME159531--12.8820527-
Glu-Met-Met-His-ME159455--14.21401643-
Glu-SerGlu-SerME159757--15.09932631-
GlutarylglycineGlutarylglycineME159746--8.461041629-
GlutathioneGlutathioneME159263-C0005113.92350954-
glutathione-sulfite-ME159495--18.90549495-
Glu-Thr-ThrGlu-Thr-ThrME159699--13.83511482-
GlycerolGlycerolME159290-C0011610.29867783-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME159708-C0327413.19644854-
GlycochenodeoxycholateGlycochenodeoxycholic acidME159594-C054664.569219571-
GlycylprolineGly-ProME159433--13.42215464-
GMPGMPME159332-C0014416.39856762-
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...-ME159600-C004163.631076229-
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphat...LPA 16:0ME159550-C004164.634224795-
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...PA 18:0_18:2ME159593-C004163.659808213-
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphat...LPA 18:0ME159557-C004164.51401264-
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...-ME159405--4.105440636-
HEPES-ME159409--10.5281793-
herbicide 14A-ME159643--11.57782647-
Hexadecanoic acidPalmitic acidME159276-C002493.793375738-
Hexanoic acidCaproic acidME159286-C015854.76947787-
His-Met-Trp-Ser-ME159486--12.609089-
HomogentisateHomogentisic acidME159356-C0054410.73849396-
homovanillateHomovanillic acidME159369-C055828.789861889-
Hydantoin-5-propionateHydantoin-5-propionic acidME159358-C0556515.15116342-
hydrogen iodide-ME159460-C055909.023740931-
HydroxymethylphosphonateHydroxymethylphosphonic acidME159671-C0645514.1588455-
hydroxypyruvaldehyde phosphateHydroxypyruvaldehyde phosphateME159640--12.54777064-
HydroxypyruvateHydroxypyruvic acidME159383-C0016815.46160171-
Hymexazol O-glucosideHymexazol O-glucosideME159777-C1110212.86522787-
Icosadienoic acid11Z,14Z-Eicosadienoic acidME159556-C165253.738502123-
Icosatrienoic acidETrE(11Z,14Z,17Z)ME159609-C165223.752073582-
IminoaspartateIminoaspartic acidME159387-C058409.968733317-
Indole-3-acetaldehydeIndoleacetaldehydeME159326-C006374.480790933-
indole-3-acetyl-valine-ME159674--8.465407521-
Indole-5,6-quinoneIndole-5,6-quinoneME159330-C055795.448583579-
IndoxylsulfateIndoxyl sulfateME159650--7.419286225-
(-)-jasmonoyl-L-valine-ME159782--3.843399384-
L-2-Amino-3-oxobutanoic acidL-2-Amino-3-oxobutanoic acidME159555-C0350814.16436891-
L-2-Aminoadipate 6-semialdehydeAllysineME159581-C040767.429184211-
L-Ala-L-Glu-ME159494--13.54646072-
L-Ala-L-Glu 2-ME159652--14.78574245-
L-Arabinonate-ME159540-C0054513.42087283-
L-AspartateAspartic acidME159267-C0004914.6433192-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME159317-C0044113.11912641-
LaudanosineN-MethyltetrahydropapaverineME159434-C095583.790040783-
L-CysteateCysteic acidME159382-C0050615.32979469-
L-CysteineCysteineME159628-C0009716.10894559-
L-Cysteinylglycinedisulfide-ME159402--15.01268457-
L-DehydroascorbateL-Dehydroascorbic acidME159340-C0542217.66942185-
L-ErythruloseErythruloseME159410-C0204510.43609054-
Leu-Ala-AspLeu-Ala-AspME159774--10.75981845-
Leu-Asp-GlyLeu-Asp-GlyME159532--11.52607077-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME159590-C0116513.00132822-
L-Glutamate 5-semialdehyde 2L-Glutamic-gamma-semialdehydeME159606-C011658.371853678-
L-GlycericacidGlyceric acidME159651--13.36059117-
L-Histidinol phosphateL-Histidinol phosphateME159309-C0110013.93597565-
L-Hypoglycin-ME159412-C0828712.77879533-
LinoleateLinoleic acidME159586-C015953.769770668-
L-NoradrenalineNorepinephrineME159376-C0054713.73143817-
LPA(0:0/16:0)LPA 16:0ME159573-C004167.39328311-
LPA(0:0/18:0)LPA 18:0ME159545-C004167.381761409-
LPA(0:0/18:1(9Z))LPA 18:1ME159577-C004164.606492869-
LPA(0:0/18:2(9Z,12Z))LPA 18:2ME159580-C004164.130383094-
LPA(18:2(9Z,12Z)/0:0)LPA 18:2ME159537-C004167.364927775-
L-RhamnoseRhamnoseME159333-C0050711.86754222-
(L-Seryl)adenylateL-Seryl-adenylateME159435-C0582013.65038711-
Lys-AspLys-AspME159668--16.58522538-
LysoPC(20:3(5Z,8Z,11Z))LPC 20:3(5Z,8Z,11Z)ME159385-C042303.824425607-
LysoPE(0:0/20:2(11Z,14Z))LPE 20:2ME159654--4.465231877-
MaleamateMaleamateME159548-C015967.369127839-
Maleamate 2MaleamateME159583-C0159614.76099305-
(-)-Medicocarpin-ME159526-C1622314.00257167-
MelibiitolMelibiitolME159388-C0539913.85658205-
melibionate-ME159688--14.89583844-
MesaconateMesaconic acidME159372-C0173211.42034136-
metabolite 1-ME159466--4.782226994-
metabolite 2-ME159646--14.34479167-
Met-AlaMet-AlaME159786--7.382055219-
Met-Gly-ArgMet-Gly-ArgME159415--13.18192103-
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...-ME159696-C114944.057523103-
Met-Met-Pro-Tyr-ME159644--17.34558493-
MG(0:0/24:1(15Z)/0:0)MG 24:1ME159664--3.611756185-
momilactone AMomilactone AME159450-C180153.980166186-
Monomethyl sulfateMethyl sulfateME159465-C027048.242760786-
Muramic acidMuramic acidME159475-C0647014.1223928-
Muramic acid 2Muramic acidME159662-C0647012.98831973-
myo-InositolMyo-inositolME159262-C0013716.96899956-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME159371-C1298612.10004427-
N2-Acetyl-L-aminoadipate 2N-Acetyl-2-aminoadipic acidME159539-C1298615.31861266-
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine-ME159717--3.901451111-
N3-fumaramoyl-L-2,3-diaminopropanoate-ME159462--14.6044357-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME159565-C0454014.60028458-
N4-(Acetyl-beta-D-glucosaminyl)asparagine 2AspartylglycosamineME159569-C0454015.80299898-
n-AcetylasparagineN-AcetylasparagineME159769--11.19301887-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME159477-C1548010.83045973-
N-Acetyl-D-fucosamine 2N-Acetyl-D-fucosamineME159520-C154808.217878372-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME159472-C0113313.60815283-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME159325-C0014012.11731747-
N-Acetyl-D-glucosamine 1,6-bisphosphateN-Acetyl-D-glucosamine 1,6-bisphosphateME159413-C0446116.596247-
N-Acetyl-D-glucosamine 6-phosphate-ME159561-C0035714.45496669-
N-AcetylgalactosaminateN-AcetylgalactosaminateME159781-C0340815.14108114-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME159542-C012507.416784212-
N-Acetyl-L-glutamate 5-semialdehyde 2N-Acetyl-glutamate 5-semialdehydeME159592-C0125014.00770918-
N-Acetyl-L-leucineN-AcetylleucineME159394-C027107.408579872-
N-Acetyl-L-leucine 2-ME159701-C0271011.73450342-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME159538-C035197.398267444-
N-AcetylmuramateN-Acetylmuramic acidME159380-C0271311.59819559-
N-AcetylneuraminateN-Acetylneuraminic acidME159302-C0027013.18239482-
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME159680-C118377.418123835-
N-Butyryl-L-homoserine lactone 2N-Butyryl-L-homoserine lactoneME159716-C118374.957546836-
Neuraminic acidNeuraminic acidME159766-C0646914.20493811-
N-Formyl-L-aspartateN-Formyl-aspartic acidME159622-C0104415.28706812-
N-Formyl-L-methionineN-FormylmethionineME159602-C031457.41578685-
N-Glycolyl-D-glucosamineN-Glycolyl-D-glucosamineME159718-C0314615.21497172-
N-Glycosyl-L-asparagineN-Glycosyl-asparagineME159420-C0341114.11931237-
N-hexanoyl-D,L-homoserine lactone-ME159750--4.511086053-
N-Hydroxy-1-aminonaphthalene-ME159636-C147895.6409693-
N-hydroxyisoleucineN-hydroxyisoleucineME159734--8.460362957-
Nitrilotriacetic acidNitrilotriacetic acidME159527-C1469513.54409786-
N-(L-Arginino)succinateArgininosuccinic acidME159614-C0340616.4968689-
nocardicin G-ME159709-C1735513.85241195-
N-oleoyl threonineN-Oleoyl threonineME159771--3.696907397-
Nonanoic acidPelargonic acidME159496-C016014.173985661-
nonulose 9-phosphate-ME159437--16.3938399-
nonulose 9-phosphate 2-ME159787--14.34432504-
NorepinephrinesulfateNorepinephrine sulfateME159424--18.67989163-
N-Succinyl-L-glutamateN2-SuccinylglutamateME159598-C0593114.89503233-
N-Succinyl-L-glutamate 2N2-SuccinylglutamateME159630-C0593117.25675214-
N-UndecanoylglycineN-UndecanoylglycineME159500--4.491427829-
N-Undecanoylglycine 2N-UndecanoylglycineME159723--7.327220482-
O-Acetyl-L-homoserineO-Acetyl-homoserineME159339-C0107711.05096295-
O-Acetyl-L-homoserine 2O-Acetyl-homoserineME159547-C0107712.98795458-
ObliquineObliquineME159641-C121834.641412751-
Octadecanoic acidStearic acidME159603-C015303.752110136-
octulose 8-phosphateOctulose 8-phosphateME159656--16.02582756-
omega-Cyclohexylundecanoic acidCyclohexaneundecanoic acidME159732-C121003.78394325-
Orotate(Fragment)Orotic acidME159607-C0029512.19383654-
OrotidineOrotidineME159285--12.20845877-
OtonecineOtonecineME159429-C103567.409791374-
OxalateOxalic acidME159269-C0020917.49527225-
OxalosuccinateOxalosuccinic acidME159599-C0537916.36929888-
OxoamideOxoamideME159558--5.420949809-
PA(36:1)PA 36:1ME159719--3.589678378-
PA(36:3)PA 36:3ME159676--3.656282364-
PA(36:4)PA 36:4ME159672--3.609996166-
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosp...-ME159707--4.471175719-
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-pho...LPC 17:1ME159648--4.432966941-
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3...-ME159731--4.79296234-
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...-ME159767--3.82927069-
P-DPD-ME159642--14.84762151-
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))PE 14:0_22:5ME159559-C003503.883783597-
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...LPE P-16:0 or LPE O-16:1ME159724--4.597940838-
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...PE 18:0_18:2ME159571-C003503.891416389-
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...PE 18:0_20:4ME159307-C003503.868568277-
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))PE 20:2(11Z,14Z)/18:3(6Z,9Z,12Z)*ME159582-C003503.850685859-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)-ME159589-C003503.85066339-
penem CGP31608-ME159484--15.61744596-
penem CGP31608 2-ME159513--7.741840411-
PentanoateValeric acidME159436-C008034.826240295-
perchlorate-ME159407--6.090334822-
PG(36:3)PG 36:3ME159533--3.541085128-
PG(40:8)PG 40:8ME159783--3.538750959-
PG(P-16:0/15:1(9Z))PG P-16:0/15:1(9Z)*ME159682--4.082887282-
PhenolPhenolME159363-C001465.942886533-
Phenol sulfatePhenyl hydrogen sulfateME159691-C021805.176106923-
PhenolsulfonphthaleinPhenolsulfonphthaleinME159453-C126007.390574043-
PhenylacetaldehydePhenylacetaldehydeME159610-C006017.424749827-
PhenylacetylglycinePhenylacetylglycineME159273-C055984.824708422-
PhenylpyruvatePhenylpyruvic acidME159266-C001664.703501287-
phlorisobutyrophenone-ME159509-C073514.15448909-
phosphinomethylmalate-ME159653--13.3334148-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME159623-C1348214.58606926-
PhosphoenolpyruvatePhosphoenolpyruvic acidME159254-C0007417.37242829-
PhthalatePhthalic acidME159284-C0160613.61907826-
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME159469--4.151175651-
PI(36:2)PI 36:2ME159461--3.674680545-
PI(36:4)PI 36:4ME159702--3.676457831-
PI(38:4)PI 38:4ME159669--3.662045012-
PI(38:5)PI 38:5ME159693--3.666715001-
PIPES-ME159700--14.19101984-
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol-ME159762--3.555066661-
[PR] 9-Hydroxy-helminthosporol-ME159735--3.897057118-
[PR] Citronellyl acetate-ME159487-C122983.946337553-
ProgesteroneProgesteroneME159344-C004103.900373339-
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME159291-C007773.947329993-
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoser...-ME159761--4.22681886-
PS(13:0/12:0)PS 12:0_13:0ME159748--4.176897616-
PS(15:0/22:4(7Z,10Z,13Z,16Z))PS 15:0_22:4ME159661--3.594237981-
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...LPS 18:0ME159501--4.093026788-
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...PS 18:0_22:6ME159311-C027373.641858742-
PS(19:1(9Z)/22:2(13Z,16Z))PS 19:1_22:2ME159416--3.933960944-
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...LPS 20:4ME159421--4.09324754-
PS(40:8)PS 40:8ME159647--3.649416342-
PseudouridinePseudouridineME159629-C0206717.2203333-
PS(P-18:0/17:2(9Z,12Z))PS P-18:0/17:2(9Z,12Z)*ME159645--3.552363111-
PyruvatePyruvic acidME159258-C000227.98386139-
QuassinQuassinME159485-C087784.535705971-
QuinateQuinic acidME159350-C0029612.68717832-
(R)-2,3-Dihydroxy-3-methylbutanoate(R)-2,3-Dihydroxy-isovalerateME159314-C042728.689525193-
(R)-3-Hydroxybutanoate3R-Hydroxybutyric acidME159324-C010897.858494928-
(R)-AMAA-ME159528-C137398.659579425-
(R,R)-Tartaric acidTartaric acidME159270-C0089816.94552132-
(R)-S-LactoylglutathioneS-LactoylglutathioneME159346-C0345115.79451421-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME159298-C0391214.89706852-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME159310-C0600613.46846267-
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME159335-C006714.74791225-
Salicylaldehyde2-HydroxybenzaldehydeME159633-C062023.96020212-
(S)(+)-AllantoinAllantoinME159613-C0235013.75959121-
SedoheptuloseGlucoheptuloseME159666-C0207613.70354298-
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME159635-C1487111.96837623-
Sinapoyl aldehydeSinapoyl aldehydeME159549-C056104.541617577-
sinapoyltyramine-ME159784--4.108440184-
(S)-LactateLactic acidME159348-C001869.40721536-
(S)-MalateMalic acidME159281-C0014915.82442084-
(S)-Methylmalonate semialdehyde(S)-Methylmalonic acid semialdehydeME159564-C0600214.71465464-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME159711-C0122515.83116802-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME159277-C0009314.68884753-
sodium dodecyl sulfate-ME159428--3.655797892-
Sorbitol 6-phosphatePseudouridineME159579-C0109614.85717542-
S-Sulfo-L-cysteineCysteine-S-sulfateME159336-C0582416.62635218-
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-hom...-ME159470--3.970621526-
Stealthin CStealthin CME159752-C123924.82169889-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...Chenodeoxycholic acidME159568-C025284.589966695-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one...5alpha-Androstane-3alpha-ol-17-one sulfateME159712-C045553.772632864-
SuccinateSuccinic acidME159370-C0004214.86984997-
SucroseSucroseME159251-C0008914.88135403-
SulcatoneSulcatoneME159414-C072874.126535437-
SulfoacetaldehydeSulfoacetaldehydeME159313-C0059311.10332448-
Sulfoacetaldehyde 2SulfoacetaldehydeME159566-C0059312.61779069-
SulfoacetateSulfoacetic acidME159563-C1417917.83277426-
SulmazoleSulmazoleME159392-C137497.811060044-
TaurineTaurineME159271-C0024514.92027376-
TauropineTauropineME159514-C0161613.31340255-
Tetracosanoic acidLignoceric acidME159364-C083203.675131554-
Tetradecanoic acidMyristic acidME159279-C064243.845682699-
Tetranor-PGE1Tetranor-PGE1ME159692--4.559994964-
ThiopentalThiopentalME159697-C075218.033128216-
Thr-Ala-AlaThr-Ala-AlaME159722--17.93902737-
trans-4-Hydroxycyclohexanecarboxylate4-Hydroxycyclohexylcarboxylic acidME159489-C044047.403004835-
Traumatic acidTraumatic acidME159618-C163084.216224703-
UDP-glucoseUDP-glucoseME159255-C0002916.09285482-
UDP-glucuronateUDP-glucuronic acidME159327-C0016718.86859564-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME159278-C0004314.81721634-
UMPUMPME159320-C0010514.79920986-
UrateUric acidME159288-C0036612.49947702-
Urea-1-carboxylate-ME159554-C0101010.77153544-
uridine-5-diphosphate bromoacetol-ME159396--18.02171848-
UTPUTPME159536-C0007517.67241661-
Val-Asp-SerVal-Asp-SerME159785--12.97364067-
VanilpyruvicacidVanilpyruvic acidME159448--4.840498101-
VinylacetylglycineVinylacetylglycineME159425--14.38470588-
Vinylacetylglycine 2VinylacetylglycineME159657--7.369363094-
XTPXanthosine 5-triphosphateME159331-C0070014.19770925-
XylobioseXylobioseME159755-C0163014.7377583-
ZoxazolamineZoxazolamineME159519-C138415.814205043-


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