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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(1,3-diphenylpropoxy)sulfonic acid-ME822738--16.55607685-
1,4-beta-D-Glucan1,4-beta-D-GlucanME822780-C00760_C007603.888954358-
1,6-Digalloyl-beta-D-glucopyranose-ME822805-C0410114.65652603-
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one-ME822796--14.4848386-
1-Deoxynojirimycin-ME822996-C16843_C1014115.79800029-
1-deoxyxylonojirimycin-ME822968--16.22162655-
1-dimethylarsinoyl-octadecane-ME822819--4.252841806-
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...-ME822893--3.748488424-
1H-Indole-3-acetamide1H-Indole-3-acetamideME822591-C026937.824492624-
1-Methylhistidine1-MethylhistidineME823013-C0115212.64478714-
1-(Methylthio)-5-phenyl-1-penten-3-yne-ME822664--12.01256291-
1-O-malyl-beta-D-glucose-ME822605--14.71244403-
1-StearoylglycerophosphoserineLPS 18:0ME822847--4.248315907-
2,4-pentadienoic acidbeta-Vinyl acrylic acidME822975--13.92909436-
2-(4-sulfophenyl)butyrate-ME822597--13.78001758-
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxyme...-ME823059--8.342768269-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME822997-C0375212.17722442-
2-amino-2-deoxy-D-gluconate 6-phosphate-ME823000--11.96352867-
2-amino-2-deoxyglucitol-6-phosphate-ME823005--14.66706263-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimid...-ME822851--12.93637531-
2-Aminoacrylic acid2-Aminoacrylic acidME822898-C0221814.81962534-
2-Aminoheptanoate2-Aminoheptanoic acidME823022--13.34662425-
2-Aminonaphthalene2-AminonaphthaleneME822629-C0222711.59754945-
2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate-ME822616-C1103917.56392929-
2-Hydroxy-6-ketononatrienedioate-ME823092-C1262413.57589651-
2-Hydroxyacetaminophen sulfate2-Hydroxyacetaminophen sulfateME823048--17.3560628-
2-MethylbutyroylcarnitineCAR 4:0;2MeME822686--8.232476785-
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate ...-ME823037--16.10255352-
2-Oxoarginine2-OxoarginineME822985-C0377114.1505134-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...-ME822754-C1157111.4273677-
(2R,3S)-Piscidic acid(2R,3S)-Piscidic acidME822634--12.70538839-
2-thiouridine-ME823054--14.93984112-
3,3',7-Trihydroxy-4'-methoxyflavone-ME822752-C05902_C04293_C10038_C10098_C17059_C1005816.99205743-
3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,...-ME822844--15.68719384-
{[3,4,5-trihydroxy-6-(5-hydroxy-7-methoxy-4-oxo-2-...-ME822829--13.92614625-
3,5-dibromocatechol-ME823006--27.47092748-
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydrox...-ME822666--13.13843183-
3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-...-ME822878--7.830212793-
3-Amino-2-piperidone3-Amino-2-piperidoneME822961--11.10256996-
3-Amino-6H-dibenzo[b,d]pyran-6-one-ME822709-C1495222.0675634-
3-Butynoate3-Butynoic acidME822955-C0614413.70880316-
3-deoxy-D-galactose3-DeoxygalactoseME823002--12.31310131-
3-Deoxyvitamin D33-Deoxyvitamin D3ME822868--5.423342306-
3-(Dimethylamino)propyl benzoate3-(Dimethylamino)propyl benzoateME822670-C141688.136739323-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME823026-C006328.725290708-
3-Oxo-carbofuran-ME822665--7.926884213-
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-...4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olME822877--3.995123287-
4-amino-4-deoxy-L-arabinose-ME822969--15.60217964-
4-coumaroyl-3-hydroxyagmatine-ME822721--20.93035522-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME822965-C0103515.08198408-
4-Heptyloxyphenol4-HeptyloxyphenolME822699-C1423627.90823677-
4-Imidazolone-5-propionic acid4-Imidazolone-5-propionic acidME823009-C0368010.78341466-
4-Methoxyglucobrassicin4-MethoxyglucobrassicinME822763-C0842315.19461649-
4-Oxoproline4-Oxo-prolineME822976-C0187714.55440069-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME823016-C0411410.74992633-
5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein-ME822694--13.31481965-
5-Acetamidovalerate5-Acetamidovaleric acidME823017-C0308712.31214691-
5-Aminolevulinic acid5-Amino-levulinic acidME822979-C0043014.32778166-
5-caC-ME822973--8.529110017-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME822632-C00643_C0101710.82068408-
5-isobutylthioribose-ME823085--12.17539061-
5'-Methylthioadenosine5'-MethylthioadenosineME822637-C001707.833537112-
6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-...-ME822831--14.33135029-
6-diazo-5-oxonorleucine-ME823012--14.79297252-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME822599-C0458314.46696075-
6-Hydroxy-R-acenocoumarol-ME822784--12.6322982-
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3...-ME822821--10.88647299-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...-ME822837--8.536288477-
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-t...-ME822804--12.95668866-
8-(3,3-Dimethylallyl)spatheliachromene-ME822808-C0900212.78131963-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME823077-C0109211.82986088-
8-methylthiooctylhydroximoyl-L-cysteine-ME822689--15.71052172-
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic aci...-ME822781-C148285.73599684-
AcetylcarnitineCAR 2:0ME823078-C0257117.94015867-
AdenineAdenineME822974-C001479.678808465-
Adenosine monophosphateAMPME822600-D06299_C0002013.46291326-
aeruginosin A-ME822712--23.89226462-
Aklanonic acid methyl ester-ME822828-C1242213.89240735-
Ala/Ala/AlaAla-Ala-AlaME823074--10.12350922-
Ala/Ala/Ala/Pro-ME822723--9.946774534-
Ala/Ala/Ala/Ser-ME822682--15.96840996-
Ala/Ala/SerAla-Ala-SerME823075--11.7955891-
Ala/ArgAla-ArgME823088--16.40239913-
Ala/AsnAla-AsnME823015--11.68484405-
Ala/Asn/AspAla-Asn-AspME822641--15.16218866-
Ala/Asn/ProAla-Asn-ProME822676--12.20830052-
Ala/Asn/Pro/Pro-ME822765--10.96158927-
Ala/Asp/Asp/Asn/Pro-ME822814--14.3686028-
Ala/Asp/Cys/Tyr-ME822788--8.19925988-
Ala/Asp/ProAla-Asp-ProME822672--14.39838813-
Ala/Asp/SerAla-Asp-SerME822611--15.37216292-
Ala/Cys/Cys/Asn/Thr-ME822766--16.4167287-
Ala/Cys/Cys/Cys/Asn-ME822758--13.15593254-
Ala/Glu/Asn/Ile-ME822779--11.39708337-
Ala/Glu/Glu/His-ME822792--15.08268829-
Ala/Gly/ProAla-Gly-ProME822607--12.42549411-
Ala/Gly/TyrAla-Gly-TyrME822720--9.915649137-
Ala/HisAla-HisME823061--11.19832295-
Ala/Ile/Arg/Ile-ME822826--28.56630927-
Ala/Ile/Pro/Pro/Ser-ME822833--18.0926533-
Ala/Leu/Ala/Ala-ME822750--4.828546651-
Ala/Leu/Gly/Arg-ME822769--11.25085259-
Ala/Leu/Gly/Tyr-ME822813--13.10960693-
Ala/LysAla-LysME823086--16.46834806-
Ala/Lys/Ala/Ala-ME822751--14.18296216-
Ala/Lys/Asp/Pro-ME822778--14.65502916-
Ala/Lys/Lys/Asp-ME822798--14.19367142-
Ala/Lys/Thr/Arg-ME822800--3.696634505-
Ala/Met/Cys/Cys-ME822731--11.6033627-
Ala/Met/Trp/Asp-ME822836--16.83089154-
AlanineAlanineME822900-C00041_C0013314.69460336-
alanyl-L-alpha-thiophenylglycine-ME822636--11.09804002-
Ala/Phe/Thr/Pro-ME822823--22.06463275-
Ala/ProAla-ProME823031--11.33094165-
Ala/Pro/His/His-ME822602--13.3702578-
Ala/Pro/Ser/Ser-ME822724--14.20232498-
Ala/Ser/SerAla-Ser-SerME823076--15.23850277-
Ala/Thr/Ala/Asp-ME822725--15.01103246-
Ala/Thr/Ala/Ser-ME822705--16.31668358-
Ala/Val/Asp/Ser-ME822749--12.12701119-
Ala/Val/Gly/Pro-ME822748--5.381316086-
AllysineAllysineME822987-C01475_C0407612.44999807-
AloesinAloesinME822787-C0899413.90479519-
alpha-D-desosamine-ME823043--12.6337341-
AmidosulfuronAmidosulfuronME823068-C1093313.07669487-
Aminoadipic acidAminoadipic acidME822989-C0095611.13283355-
Aminohydroquinone-ME823008-C1460412.18659983-
Anthemis glycoside B-ME822884-C083274.317429743-
Apetalolide-ME822858-C091587.839585627-
Arg/Phe/Cys/Gly-ME822815--11.10022801-
Arg/Pro/Tyr/Arg-ME822698--14.93304194-
Arg/TyrArg-TyrME822746--14.12832938-
Arsenobetaine-ME822964-C1933111.14853031-
Asn/ArgAsn-ArgME822624--16.41370943-
Asn/AsnAsn-AsnME823033--13.51940069-
Asn/AspAsn-AspME823029--15.3639368-
Asn/HisAsn-HisME822601--12.96199721-
Asn/Leu/Lys/Asp-ME822818--13.26425622-
Asn/Leu/Pro/Pro-ME822817--10.89416489-
Asn/Lys/Gly/Gly-ME822732--15.62938825-
Asn/Lys/Met/Thr-ME822799--9.392644359-
Asn/Phe/Asn/Gly-ME822790--12.89666673-
Asn/ProAsn-ProME823066--13.13664946-
Asn/Thr/Cys/Ser-ME822729--14.96132853-
Asparaginyl-Hydroxyproline-ME823067--13.49769059-
AspartylglycosamineAspartylglycosamineME822679-C0454015.83342631-
Asp/Cys/Ser/Tyr-ME822789--16.29617661-
Asp/Gly/ArgAsp-Gly-ArgME822683--17.66892208-
Asp/Gly/HisAsp-Gly-HisME822669--14.30625256-
Asp/His/His/Met/Trp-ME822881--16.5186527-
Asp/Phe/Pro/His-ME822843--11.1769091-
Asp/ProAsp-ProME823060--15.03100909-
Asp/Pro/SerAsp-Pro-SerME822673--13.68534307-
Asp/Thr/Cys/Cys-ME822726--16.39919793-
Avicularin-ME822802--10.82108332-
bathophenanthroline sulfonate-ME822842--17.53460918-
BiotinBiotinME822603-C001208.612773403-
Biotin amideBiotin amideME822606-C0189310.58241664-
BPH-674-ME822753--15.61445685-
Brassicanal ABrassicanal AME822630-C1104822.84108993-
Brusatol-ME822859-C0875414.13740913-
ButyrylcarnitineCAR 4:0ME822656-C028628.903245375-
Canadine-ME822807-C11818_C033294.721168462-
CancentrineCancentrineME822886-C0937010.40952422-
Capryloylglycine-ME822620--10.59533676-
CarnitineCarnitineME823023-C00318_C0048713.26306821-
CDP-glucoseCDP-glucoseME822747-C0050113.4712416-
CDP-ribitolCDP-ribitolME822727-C0078916.16235752-
Cer(d40:1)Cer 40:1;O2ME822906--5.158623548-
Cer(d40:2)Cer 40:2;O2ME822902--3.997840602-
Cer(d42:2)Cer 42:2;O2ME822915-C001953.906830956-
CeruleninCeruleninME822671-C1205810.28101448-
ChlorambucilChlorambucilME822719-C0690013.87796641-
Chlordane-ME822626-C1417627.46000001-
Chlorosesamone-ME822736--11.71256059-
ChorismateChorismic acidME822592-C002517.955508907-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophenecis-1,2-dihydroxy-1,2-dihydrodibenzothiopheneME822662-C0672113.11404287-
cis-Resveratrol 3-sulfate-ME822714--13.81556334-
CitrullineCitrullineME822993-C0032715.84241763-
Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adeno...-ME822982--26.89088361-
coelenterazine v-ME822873--15.78115769-
Compound VII-ME822771-C0648922.06201352-
CreatineCreatineME822957-C0030014.59756327-
CreatinineCreatinineME822956-C007919.787907125-
CTAB-ME822801-C112758.561599238-
cycloguanil-ME822635--11.21664924-
Cys/Asp/Asp/Pro/Ser-ME822793--3.887789622-
Cys/Cys/Asn/Gln/Thr-ME822797--15.24919079-
Cys/Cys/Asn/Ser/Thr-ME822767--16.8495397-
Cys/Cys/Asp/Asn/Pro-ME822794--16.83180378-
Cys/Gly/ProCys-Gly-ProME822608--10.54258899-
Cys/Gly/Ser/Tyr-ME822764--11.09054828-
Cys/Gly/Trp/Trp/Trp-ME822891--10.10343068-
Cys/Lys/Thr/Thr-ME822860--9.49182979-
Cys/Lys/Thr/Thr/Thr-ME822825--13.8579492-
Cysteineglutathione disulfideS-Glutathionyl-cysteineME822702-C0552616.66547981-
cytidine 5'-{[hydroxy(2-hydroxyethyl)phosphonoyl]p...-ME822642--13.82289271-
DeoxycytidineDeoxycytidineME823056-C0088113.37837896-
Deoxyguanidinoproclavaminic acidDeoxyamidinoproclavaminic acidME823073-C0665614.8812462-
DG(36:2)DG 36:2ME822895-C001653.868847033-
DG(44:4)DG 44:4ME822941--27.52082284-
Diaminopimelic acidDiaminopimelic acidME823019-C0066614.13761424-
dibenzothiophene-5-oxide-ME822692--11.43725858-
DiethanolamineDiethanolamineME822954-C0677214.72358774-
Diethyl tartrate-ME823034--13.73702787-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME823057-C02953_C002689.829220371-
Dihydrozeatin-O-glucosideDihydrozeatin-O-glucosideME822757-C1644810.81867051-
DimethylethanolamineDimethylethanolamineME822953-C0430817.26578741-
dIMPdIMPME822598-C0619614.37025314-
diuronDiuronME823049--12.98369873-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME823042--13.32876401-
DopaDOPAME823052-C003557.854020835-
EctoineEctoineME822983-C0623112.94267533-
EpinephrineEpinephrineME823058-C0078813.33111504-
erucamide13Z-DocosenamideME822834--5.554299478-
erythro-D-galacto-octitol-ME823045--15.46170914-
Erythro-imidazole-glycerol-phosphate-ME822984-C0466613.78069024-
FagomineFagomineME822995-C1014412.12772463-
Ferulic acid 4-sulfateFerulic acid 4-sulfateME822593--14.51163005-
Galipine-ME822806-C106834.715914336-
Gallagic acid-ME822872--15.87111124-
gamma-Aminobutyric acidgamma-Aminobutyric acidME822958-C0033412.20486985-
gamma-Fagarine-ME822693-C1067622.07120642-
Gamma glutamyl ornithinegamma-GlutamylornithineME822619--13.20335157-
Gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME823072-C0569515.83070887-
gamma-thiomethyl glutamate-ME822990--10.80490347-
GentisinGentisinME822711-C1006614.67877772-
Glu/Ala/ProGlu-Ala-ProME822700--14.24399177-
Glu/Ala/SerGlu-Ala-SerME822645--14.50973818-
Glu/Ala/ThrGlu-Ala-ThrME822678--13.22123329-
Glu/Ala/ValGlu-Ala-ValME822704--10.77604575-
Glu/ArgGlu-ArgME822654--16.44854309-
Glu/Asp/ValGlu-Asp-ValME822722--15.4892334-
Glu/Glu/Glu/Lys/Trp-ME822882--11.72320728-
Glu/Glu/Lys/Pro-ME822824--16.11177568-
Glu/Glu/ProGlu-Glu-ProME822744--16.41950427-
Glu/LysGlu-LysME822653-C0470016.6871123-
Glu/Met/ThrGlu-Met-ThrME822728--11.96158326-
Glutamic acidGlutamic acidME822980-C00217_C00025_C0030214.38103499-
GlutamineGlutamineME822962-C00064_C0081914.96214101-
glutathione sulfinate-ME822612--16.65440367-
Gly/ArgGly-ArgME823041--16.95478172-
Gly/HisGly-HisME823028--5.143929213-
Gly/LeuGly-LeuME823038-C021555.402618306-
Gravacridonolchlorine-ME822785--11.35177683-
Guanidoacetic acidGuanidoacetic acidME822899-C0058115.69795097-
Halosulfuron-methyl-ME822695-C1844217.57086444-
Heptadecanoyl carnitineCAR 17:0ME822845--4.710527061-
HeterodendrinHeterodendrinME822646-C0833212.72973264-
His/Asn/Arg/Ser/Ser-ME822832--15.21367726-
His/HisHis-HisME822668--11.21816501-
His/LeuHis-LeuME822675-C050105.162017131-
HistidineHistidineME823011-C06419_C0013515.72048934-
Histidine trimethylbetaineHercynineME823064-C0557512.26811593-
HomocitrullineHomocitrullineME823021-C0242715.11630377-
HomoglutathioneHomoglutathioneME822644-C0454412.63944056-
HydroxybutyrylcarnitineCAR 4:0;OHME822657--11.42315506-
HydroxyhexanoycarnitineCAR 6:0;OHME822706--9.223297355-
hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME822687--10.66776813-
HypoxanthineHypoxanthineME822972-C0026210.18234316-
Ile/AlaIle-AlaME823082--12.77143629-
Ile/Ala/SerIle-Ala-SerME822685--13.78978267-
Ile/ArgIle-ArgME822691--12.37619907-
Ile/Arg/Arg/Arg/Tyr-ME822883--3.688842992-
Ile/Cys/GlyIle-Cys-GlyME822652--10.96336181-
Ile/Cys/PheIle-Cys-PheME822776--8.793594163-
Ile/Gly/LysIle-Gly-LysME822733--13.05296258-
Ile/LysIle-LysME822690--12.48286489-
Ile/Lys/ProIle-Lys-ProME822768--21.35076346-
Ile/ProIle-ProME822648--10.21655475-
Ile/SerIle-SerME823083--7.9117345-
Ile/ThrIle-ThrME822622--7.853337479-
Ile/TyrIle-TyrME822741--8.442244057-
Ile/ValIle-ValME822659--4.821680341-
IndoleIndoleME823047-C0046311.60625689-
(indolylmethylthiohydroximoyl)-L-cysteine-ME822696-C1651812.89061609-
InosineInosineME822595-C0029410.87860603-
Inositol cyclic phosphateInositol cyclic phosphateME822991-C0429915.63793333-
IsoquinolineIsoquinolineME823091-C063238.804155896-
Kaempferol 3-sulfate-7-alpha-arabinopyranoside-ME822803--12.57005743-
Kievitone hydrateKievitone hydrateME822809-C0254910.21604419-
Kynurenic acidKynurenic acidME822628-C017178.205644246-
KynurenineKynurenineME822594-C0032810.90574619-
Labriformin-ME822879-C0887110.30117333-
Lacto-N-tetraoseLacto-N-tetraoseME822861-C0637116.53134562-
Lactosylceramide (d18:1/16:0)-ME822939-C012907.769365845-
LactoylglutathioneS-LactoylglutathioneME822701-C0345115.65676306-
LenticinLenticinME822717-C092138.804277416-
LeucineLeucineME822994-C16439_C00123_C0157010.89089994-
Leu/LeuLeu-LeuME822688-C113324.781818531-
LinatineLinatineME822609-C0593911.00862802-
Linoleyl carnitineCAR 18:2ME822853--4.647848379-
LongifolonineLongifolonineME822760-C095697.813983016-
Lys/Ala/GlyLys-Ala-GlyME822660--16.2620243-
Lys/AsnLys-AsnME822623--16.46386151-
Lys/GlyLys-GlyME823040--16.70350258-
Lys/HisLys-HisME822680--16.1931183-
LysineLysineME822999-C00739_C0004722.84977293-
Lys/Met/Thr/Thr/Thr-ME822838--9.534393443-
LysoPC(16:0)LPC 16:0ME822849-C04102_C042307.808993877-
LysoPC(16:1)LPC 16:1ME822846-C042304.773389275-
LysoPC(18:0)LPC 18:0ME822866-C042304.658540599-
LysoPC(18:1)LPC 18:1ME822864-C03916_C042307.804374065-
LysoPC(18:2)LPC 18:2ME822863-C04100_C042304.730816173-
LysoPC(18:3)LPC 18:3ME822862-C042304.774164811-
LysoPC(20:0)LPC 20:0ME822876-C042304.558170223-
LysoPC(20:3)LPC 20:3ME822875-C042303.917133886-
LysoPC(O-16:1)LPC O-16:1ME822848--4.709605908-
LysoPC(O-18:0)LPC O-18:0ME822867-C043174.702245962-
LysoPC(O-18:1)LPC O-18:1ME822865--4.714836742-
LysoPE(18:0)LPE 18:0ME822841--4.751943655-
LysoPE(18:1)LPE 18:1ME822840--7.803727689-
LysoPE(20:0)LPE 20:0ME822857--4.71491289-
LysoPE(20:4)LPE 20:4ME822852--7.802761283-
LysoPE(22:4)LPE 22:4ME822871--4.559039874-
LysoPE(22:5)LPE 22:5ME822870--4.579546435-
LysoPE(22:6)LPE 22:6ME822869--4.600075418-
Lys/PheLys-PheME822743--11.8510833-
Lys/ProLys-ProME822651--15.22917185-
Lys/SerLys-SerME823087--16.5697906-
Lys/ThrLys-ThrME822625--15.82586175-
Lys/Thr/SerLys-Thr-SerME822708--15.31507499-
Lys/Trp/GlyLys-Trp-GlyME822791--12.99241791-
Lys/Val/GlyLys-Val-GlyME822707--13.81819748-
Maleic acid homopolymerDimethyl maleateME823010-C0092213.55812032-
malyl alpha-D-glucosaminide-ME822614--15.20537419-
MannitolMannitolME823003-C00392_C0148913.89425338-
meleagrin-ME822835--15.31474131-
Met/Ala/GlyMet-Ala-GlyME822618--12.63559492-
MethionineMethionineME822967-C00073_C0173311.55083151-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME823065-C0122314.14419789-
Met/Phe/GlyMet-Phe-GlyME822756--11.58723305-
MK-129-ME822820-C1103414.1642813-
Montecristin-ME822887--3.7530027-
MOPS-ME823024--11.28936584-
Muramic acidMuramic acidME823080-C0647014.19292934-
MurrayanineMurrayanineME822713-C0922822.83991008-
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazolealpha-RibazoleME822718-C0577511.24967391-
N-(1-Deoxy-1-fructosyl)proline-ME822647--17.48333856-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME823084-C0413717.10234396-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME822610-C0528314.25152064-
N-(3-oxooctanoyl)-L-homoserine-ME822681--13.53184972-
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)ala...-ME823014--15.49306127-
N(6)-MethyllysineN(6)-MethyllysineME823025-C0272822.32658606-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME823090-C0379321.61856437-
N-Acetyl-b-glucosaminylamineN-Acetyl-beta-glucosaminylamineME823039-C0123913.04143739-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME823035-C1548011.48940459-
N-Acetyl-D-glucosamineN-AcetylglucosamineME823036-C02711_C03878_C00140_C0313612.01479104-
N-acetyl-L-2-aminoadipate(2-)N-Acetyl-2-aminoadipic acidME823030-C1298612.13286625-
N-AcetyllactosamineN-AcetyllactosamineME822730-C0061113.74773359-
N-Acetylneuraminic acid 9-phosphate-ME822649-C0624114.89834687-
N-AcetylvanilalanineN-AcetylvanilalanineME822667--4.567790633-
N-(docosenoyl)-hexadecasphing-4-enine-1-phosphoeth...-ME822905--7.726145093-
N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inosi...-ME822929--27.80123013-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME823044-C05545 _C0554521.3086264-
NeohesperidoseNeohesperidoseME822684-C0824415.97862382-
NeotussilagineTussilagineME822613-C1041110.46596493-
Neuraminic acidNeuraminic acidME823081-C0646916.75978228-
N'-FormylkynurenineN-FormylkynurenineME822633-C02406_C02700_C1560512.06287776-
N-Formyl-L-methionineN-FormylmethionineME822988-C0314514.61651532-
Ngaione (-)-ME822742-C0968927.09616422-
NiacinamideNiacinamideME823007-C001537.86431716-
nicotinamide guanine dinucleotide-ME822822--12.80464577-
Nigakinone-ME822735-C1699615.21485793-
Nitisinone-ME822710--12.10328781-
N-(L-Arginino)succinateArgininosuccinic acidME822617-C0340616.51340777-
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dia...-ME822795--3.906964115-
N-PalmitoylsphingosineCer 18:1;O2/16:0ME822885-C001953.917991938-
N-RibosylhistidineN-RibosylhistidineME822639--15.27023811-
N-Sulfo-D-glucosamineN-Sulfo-glucosamineME822998-C0107516.99040227-
OctylamineOctylamineME823046-C0174014.70912607-
OleoylcarnitineCAR 18:1ME822854--7.784283617-
Ophthalmic acidOphthalmic acidME822643--13.11896715-
OrnithineOrnithineME822970-C00077_C01602_C0051522.07321008-
OtonecineOtonecineME823069-C1035611.88681136-
Oxidized glutathioneOxidized glutathioneME822816-C0012717.00306283-
PalmitoylcarnitineCAR 16:0ME822839-C029907.793585492-
PalmitoylethanolamidePalmitoyl-EAME822782-C165124.596925111-
Pantothenic acidPantothenic acidME823079-C008648.432436721-
PC(29:0)PC 29:0ME822889-C001573.748359955-
PC(29:1)PC 29:1ME822888-C001573.758719623-
PC(32:1)PC 32:1ME822904-C001574.122120821-
PC(34:2)PC 34:2ME822914-C001575.61235675-
PC(35:6)PC 35:6ME822919--3.957650273-
PC(36:2)PC 36:2ME822927-C001574.060112234-
PC(36:3)PC 36:3ME822926-C001574.572065065-
PC(36:4)PC 36:4ME822925-C001574.061969014-
PC(38:4)PC 38:4ME822938-C001574.017985932-
PC(38:5)PC 38:5ME822936-C001574.024632045-
PC(38:6)PC 38:6ME822935-C001574.032408603-
PC(40:5)PC 40:5ME822948-C001574.007979911-
PC(40:6)PC 40:6ME822947-C001573.999924626-
PC(40:7)PC 40:7ME822946-C001574.021564529-
PC(O-16:0)PC O-16:0ME822850-C139034.784040586-
PC(P-38:4)PC P-38:4ME822937-C001574.027336621-
P-DPD-ME822981--15.40394592-
PE(34:3)PE 34:3ME822894-C003503.803807411-
PE(35:0)PE 35:0ME822907-C003505.098462111-
PE(36:4)PE 36:4ME822910-C003503.977478584-
PE(37:1)PE 37:1ME822916-C003504.105135021-
PE(38:1)PE 38:1ME822922-C003504.098829687-
PE(42:2)PE 42:2ME822942-C0035013.93832342-
PE(43:4)PE 43:4ME822949--4.002547853-
PencycuronPencycuronME822786-C1101211.25486481-
penem CGP31608-ME823053--13.84195164-
PE(P-20:0)PE P-20:0ME822856--4.670256293-
PE(P-36:2)PE P-36:2ME822912-C003504.068503962-
PE(P-36:4)PE P-36:4ME822909-C003503.978176222-
PE(P-38:3)PE P-38:3ME822921-C003503.953666396-
PE(P-38:5)PE P-38:5ME822920-C003503.952610942-
PE(P-38:6)PE P-38:6ME822918-C003503.946484962-
PE(P-40:5)PE P-40:5ME822931-C003503.93141008-
Phe/ArgPhe-ArgME822745--13.07238495-
Phe/Arg/Arg/Arg/Thr-ME822880--3.662834519-
Phe/AsnPhe-AsnME822697--8.064674397-
Phe/Cys/ArgPhe-Cys-ArgME822777--14.27833716-
phe-FMDP-ME822761--11.26332751-
Phe/Gly/HisPhe-Gly-HisME822762--7.887631508-
PhenylalaninePhenylalanineME823050-C00079_C0226510.21736573-
phenyl sulfoxide-ME822663--16.94950405-
PhosphocreatinePhosphocreatineME822952-C0230514.79474628-
PhosphophosphinatePhosphophosphinateME823004-C1202213.13572071-
PI(32:1)PI 32:1ME822911-C006263.771431441-
Pipecolic acidPipecolic acidME822986-C0040811.19056277-
Prenol3-Methyl-2-buten-1-olME822963-C0139020.21218846-
Pro/HisPro-HisME822638--12.0064337-
ProlineProlineME822977-C00148_C0076312.77393817-
PropionylcarnitineCAR 3:0ME822621-C030179.828275164-
Pro/SerPro-SerME823032--12.62905866-
ProsopinineProsopinineME822759--5.890477063-
ProsulfuronProsulfuronME822737-C1095011.58827066-
PS(34:0)PS 34:0ME822903--3.766129574-
PS(42:10)PS 42:10ME822945--3.723973391-
PyridoxinePyridoxineME823027-C003148.253588152-
Quercetagetin 3'-methylether 7-glucoside-ME822830--13.91502218-
Quinaldic acidQuinaldic acidME822627-C063257.796246652-
quinocarcin-ME822773--22.84209792-
(R) 2,3-Dihydroxy-3-methylvalerate-ME822992-C04104_C0600712.21041285-
ResistomycinResistomycinME822827-C1208012.11504415-
RibitolRibitolME822971-C01904_C00474_C0037912.95138597-
RugosinoneRugosinoneME822783-C0963413.18397666-
Salicyluric beta-D-glucuronideSalicyluric glucuronideME822739--14.74219007-
(S)C(S)S-S-Methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME822960--11.8462689-
Selenium Sulfide-ME823093--27.86927254-
Ser/ArgSer-ArgME823089--16.50959856-
Ser/HisSer-HisME823062--12.16102948-
SerineSerineME822901-C00740_C00065_C0071615.65441573-
SerotinoseVicianoseME822650-C08245_C11535_C0162514.39857504-
SlaframineSlaframineME822674-C0618510.13801344-
SM(d32:1)SM 32:1;O2ME822890--7.759378257-
SM(d33:1)SM 33:1;O2ME822892--7.753974349-
SM(d34:1)SM 34:1;O2ME822897-C005507.742891306-
SM(d34:2)SM 34:2;O2ME822896--7.750412972-
SM(d35:1)SM 35:1;O2ME822908--7.735309954-
SM(d36:1)SM 36:1;O2ME822913-C005504.333962095-
SM(d37:1)SM 37:1;O2ME822917--7.691254031-
SM(d38:1)SM 38:1;O2ME822924-C005507.67665398-
SM(d38:2)SM 38:2;O2ME822923-C005504.283061288-
SM(d39:1)SM 39:1;O2ME822930--7.644224466-
SM(d39:2)SM 39:2;O2ME822928--7.675059099-
SM(d40:1)SM 40:1;O2ME822934-C005504.384676829-
SM(d40:2)SM 40:2;O2ME822933--4.286871218-
SM(d40:3)SM 40:3;O2ME822932-C005507.662213184-
SM(d41:2)SM 41:2;O2ME822940--4.305146834-
SM(d42:1)SM 42:1;O2ME822944--7.609314024-
SM(d42:3)SM 42:3;O2ME822943--4.739869652-
SM(d43:1)SM 43:1;O2ME822951--7.541891127-
SM(d43:2)SM 43:2;O2ME822950-C005507.575283625-
StearoylcarnitineCAR 18:0ME822855--7.780069634-
TecostanineTecostanineME822655-C0998919.92718552-
TemurinTemurinME823055--9.471622076-
tetrahydrocolumbamine-ME822810-C0411811.11434583-
Thiazinamium-ME822772--12.49902039-
thioacetazone-ME822596--23.8991562-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME822978-C039018.189969918-
Thr/Ala/ProThr-Ala-ProME822677--15.24929734-
ThreonineThreonineME822959-C00188_C0082014.39229784-
Thr/HisThr-HisME822604--11.25833274-
Thr/ProThr-ProME823070--11.36159284-
Thr/SerThr-SerME823020--11.88904184-
Thr/Trp/CysThr-Trp-CysME822775--15.34237202-
Thr/Trp/ProThr-Trp-ProME822811--7.972368927-
trametinib-ME822874--17.02224221-
TriacetinTriacetinME823063--12.60834373-
TriadimenolTriadimenolME822716-C1112715.53714329-
tridecadienoic acidTridecadienoic acidME822703--6.236812517-
triethylene glycol-ME823001--4.257219089-
Trp/AsnTrp-AsnME822740--9.762293617-
Trp/Cys/ArgTrp-Cys-ArgME822812--8.604139414-
Trp/Cys/GlyTrp-Cys-GlyME822755--9.284314818-
TryptophanTryptophanME822631-C00525_C00806_C0007811.61407393-
tunicamine-ME822658--14.35471315-
TyrosineTyrosineME823051-C01536_C00082_C0642012.93450822-
Val/ArgVal-ArgME822661--13.63113819-
Val/AspVal-AspME823071--13.18788493-
Val/GlyVal-GlyME823018--9.019876037-
Val/HisVal-HisME822640--9.243653341-
ValineValineME822966-C00183_C16436_C0641711.32165868-
Val/ProVal-ProME822615--5.710655228-
versicolorin A-ME822770--17.55419371-
Vulgaxanthin-IIVulgaxanthin-IIME822715-C0856915.19512738-
Xestoaminol CXestoaminol CME822734--11.49294423-
Zearalenone 4-sulfate-ME822774--13.28511272-


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
12-Hydroxy-12-octadecanoylcarnitine-ME823238--7.778796526-
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine-ME823248--4.677459963-
1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoseri...-ME823243--4.676090851-
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoseri...-ME823239--4.720070427-
1-[(3-Carboxypropyl)amino]-1-deoxyfructose-ME823105--11.04278466-
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME823179-C104824.025837741-
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid-ME823168--14.98943436-
19-dimethylarsinoyl-nonadecanoic acid-ME823221--21.35222575-
1-deoxy-1-morpholino-D-fructose-ME823104--11.82078282-
1-Methoxyspirobrassinin-ME823127--14.6894079-
1-OleoylglycerophosphoserineLPS 18:1/0:0ME823233--4.266993525-
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME823364-C04322_C0391214.52893482-
1-thio-beta-D-glucose-ME823384--11.611832-
2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME823416-C0632612.27249165-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME823406--13.84714226-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...-ME823113--7.800100806-
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME823407-C0333812.62618581-
2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphe...-ME823229--14.79550699-
2-(4-sulfophenyl)decane-ME823172--3.824165204-
{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-...-ME823222--16.67878573-
2,5-Dioxopentanoate-ME823363-C0043311.64916662-
2-Aceto-2-hydroxybutanoic acid-ME823376-C00659_C0600612.68370221-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...-ME823115--4.487076044-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME823401-C1685011.94402013-
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME823099-C1202712.70206852-
2-C-Methyl-D-erythritol 4-phosphate-ME823356-C1143413.43758075-
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME823369-C0292812.32397117-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME823117-C0458012.76780052-
2-(glutathion-S-yl)-2-methylbut-3-enoate-ME823160--14.89097761-
[2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulf...-ME823143--14.34558126-
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]ami...-ME823130--4.719422855-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME823362-C0059614.71332341-
{2-hydroxy-5-[-3-phenylprop-2-enoyl]phenyl}oxidane...-ME823157--14.99645268-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME823260-C0512310.22201416-
2'-hydroxypyridoxol-ME823409--7.917991306-
2-Ketobutyric acid3-Methyl pyruvic acidME823340-C0010914.74059032-
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME823156--4.214963922-
{[-2-(phenylmethylidene)heptyl]oxy}sulfonic acid-ME823152--11.54470664-
2-phosphono-3-sulfoproprionate-ME823259--15.72439486-
(2R*,3R*)-1,2,3-Butanetriol1,2,3-ButanetriolME823335--4.241616673-
(2S,3R,-2-amino-4-dodecene-1,3-diol-ME823139--4.767701391-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME823377--7.81768582-
3,4-Dehydrothiomorpholine-3-carboxylate-ME823365-C0444514.60101554-
3-Methyleneoxindole3-MethyleneoxindoleME823439-C027965.604528009-
3-O-alpha-L-rhamnopyranosyl-3-hydroxynonanoyl-3-hy...-ME823237--7.834300261-
3-Phospho-D-erythronate-ME823349-C0335611.52782069-
3-Phosphonopyruvate-ME823286-C0279815.47671886-
3-Sulfinoalanine3-Sulfino-alanineME823288-C0060614.12378978-
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME823360-C0033710.68314944-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME823095-C1135512.73070659-
4-Hydroxy-2-oxopentanoateTetramethylammoniumME823368-C035897.825334543-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME823382-C029484.805317869-
4-Hydroxy-L-glutamic acid4-Hydroxy-L-glutamic acidME823370-C0594714.85359665-
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeME823428-C0479614.38153038-
4-Pyridoxic acid4-Pyridoxic acidME823425-C008477.814677962-
4-Pyridoxolactone4-PyridoxolactoneME823423-C0097113.75879228-
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME823338-C040518.531921682-
5beta-Cholane-3alpha,24-diol-ME823232--3.881527092-
5'-Hydroxylornoxicam-ME823142--8.786093226-
5-methoxycarbonylmethyluridine-ME823132--7.83976682-
5-ureidoimidazole-4-carboxylate-ME823361-C0551512.93380655-
6,11-dihydroxy-3-methyl-7-(3,4,5-trihydroxyphenyl)...-ME823186--9.10110317-
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxa...-ME823209--15.05377061-
6-Heptenyl glucosinolate-ME823155--14.78194088-
6-Methoxy-3-(2-thiazolyl)-1H-indole-ME823126--15.00217679-
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate-ME823208-C1956214.68028101-
9,10-dibromo-stearic acid9,10-Dibromo-stearic acidME823189--15.91989205-
Acetyl-N-formyl-5-methoxykynurenamineAcetyl-N-formyl-5-methoxykynurenamineME823144-C056424.846627623-
Adenosine diphosphate riboseADP-riboseME823161-C0030114.40713361-
AICARAICARME823432-C0467715.33056833-
A-Ketoglutaric acid oximealpha-Ketoglutaric acid oximeME823366--7.847050296-
Ala/AlaAla-AlaME823380-C0099310.94561662-
Ala/Ala/Asp/Ser-ME823149--14.15735368-
Ala/Ala/TyrAla-Ala-TyrME823159--7.917592545-
Ala/Asp/Asn/Asn/Pro-ME823213--14.9126222-
Ala/Asp/Asp/Phe/Trp-ME823264--28.5490756-
Ala/Asp/Gln/Tyr-ME823219--12.45826057-
Ala/Asp/GlyAla-Asp-GlyME823431--14.72208541-
Ala/Cys/Cys/Cys/Glu-ME823183--13.91515342-
Ala/Cys/Cys/His/Thr-ME823203--14.13197949-
Ala/GluAla-GluME823412--14.70014596-
Ala/Gly/SerAla-Gly-SerME823414--12.50575923-
Ala/Leu/Trp/Ser-ME823226--7.829238383-
Ala/Lys/Lys/Val/Trp-ME823265--11.57569838-
Ala/Phe/Tyr/Tyr-ME823262--14.5230602-
AllantoinAllantoinME823339-C01551_C02348_C0235013.60198441-
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyrano...-ME823402--22.06213757-
alpha-D-Man-(1->3)-[alpha-D-GlcNAc-(1->2)]-a...-ME823268-C0492317.38996776-
Alpha-LactoseLactoseME823136-C06373_C00243_C0076015.22634612-
altro-D-manno-Heptose-ME823405-C0639711.76397612-
aminopyrrolnitrin-ME823110--13.25180134-
ancymidolAncymidolME823158--4.76263016-
AngustineAngustineME823207-C0903211.04282307-
arabino-1,4-lactone 5-phosphate-ME823371--12.16955369-
ArabinonateArabinonic acidME823353-C05411_C00545_C00878_C01685_C05412_C0050213.18293619-
ArabinoseArabinoseME823352-C02479_C02604_C00216_C0025914.18995024-
Arachidic acidArachidic acidME823214-C064253.867625619-
Arg/Leu/Lys/Thr-ME823224--14.94488139-
Arg/Val/Gly/Pro-ME823188--13.81991949-
Asn/Asn/Asp/Pro-ME823178--14.90206832-
Asn/Asp/Asp/Pro-ME823176--14.37056525-
Asn/Cys/CysAsn-Cys-CysME823101--14.3541957-
Asn/Cys/TyrAsn-Cys-TyrME823171--11.48199391-
Asn/Lys/Met/Cys-ME823190--14.75409922-
Asn/SerAsn-SerME823400--13.32528934-
AsparagineAsparagineME823346-C00152_C0190515.14533137-
Aspartic acidAspartic acidME823345-C00402_C0004914.65549999-
Asp/Asp/Lys/Arg/Ser-ME823227--10.63955704-
Asp/Asp/ProAsp-Asp-ProME823148--16.30556667-
Asp/Glu/Ile/Lys/Trp-ME823267--4.819107165-
Asp/Glu/Phe/Met/Arg-ME823253--14.59847417-
Asp/GlyAsp-GlyME823375--16.11000713-
Asp/Ile/Ile/Ile/Ile-ME823250--14.62988546-
Asp/SerAsp-SerME823399--15.29350888-
Avenic acid A-ME823135--15.03466562-
BendiocarbBendiocarbME823112-C144334.595297738-
BergaptolBergaptolME823123-C0075814.98185987-
beta-D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME823390-C00354_C0537815.07930997-
beta-D-galactopyranosyl trimethylammonium bromide-ME823438--13.33905246-
Bis(4-isothiocyanatobutyl) disulfide-ME823097--15.37617286-
Bornesitol-ME823404-C03659_C0366012.42783208-
celesticetin-ME823230--14.62181668-
ChelirubineChelirubineME823215-C0632712.28589535-
Cholesterol sulfateCholesterol sulfateME823247-C180433.750434351-
cis-Aconitic acidcis-Aconitic acidME823393-C0041717.23097621-
ClavulanateClavulanateME823426-C066627.811061213-
CMP-2-aminoethylphosphonateCMPciliatineME823119-C0567315.02401315-
coptisine-ME823195--12.91434544-
Cupreine-ME823200-C065306.390936584-
Cys/Asp/Asp/Glu/Trp-ME823244--14.95878729-
Cys/Asp/Asp/Gly/Asn-ME823177--12.93695246-
Cys/Cys/Glu/Met/Met-ME823220--17.00492737-
Cys/Cys/Ser/Ser/Ser-ME823163--14.35120076-
Cys/Gly/His/Ser/Ser-ME823182--13.9628964-
Cysteic acidCysteic acidME823289-C0050615.05899051-
Cysteinosuccinic acidS-Cysteinosuccinic acidME823397--12.99720475-
deacetylcolchicine-ME823211-C1671214.97197745-
Deoxyribose 5-phosphateDeoxyribose 5-phosphateME823354-C0067314.40386572-
DGCC(40:10)DGCC 40:10ME823350--5.579866184-
Dide-O-methylsimmondsin-ME823153--13.88624084-
Dihydroxyacetone phosphateDihydroxyacetone phosphateME823290-C0011114.96187247-
dithiolgliotoxin-ME823145--13.79151117-
dodecyl sulfateBlasticidin SME823141--3.803439611-
Dulcoside A-ME823276--14.61189616-
erythro-L-galacto-Nonulose-ME823437--16.55284084-
Erythronic acidErythronic acidME823347-C0162012.1333538-
Erythrose 4-phosphateErythrose 4-phosphateME823348-C03109_C0027912.44468417-
FA (18:2)Octadecadienoic acidME823187--3.921173685-
FA (22:5)Docosapentaenoic acidME823223--3.874702906-
FA methyl(16:1)-ME823184--3.963447353-
FA methyl(8:0)-ME823435--4.351837217-
Flunitrazepam-ME823166--12.61019033-
Formylfusarochromanone-ME823170--22.06493553-
FructoseFructoseME823385-C00095_C00795_C0233616.99541785-
Fucose 1-phosphateFucose 1-phosphateME823388-C01099_C0298513.44798528-
Fumaric acidFumaric acidME823337-C0012214.76769058-
GalactinoldihydrateGalactinolME823140--14.02576962-
GalactosylglycerolGalactosylglycerolME823436-C0540114.52175051-
gamma-Glutamylglycinegamma-GlutamylglycineME823398--14.24839839-
Ganglioside GA1 (d18:1/22:0)-ME823373-C06136 _C061367.823180161-
Ganglioside GA1 (d18:1/24:1)-ME823374-C06136 _C061364.801970445-
Garcinia acidGarcinia acidME823395--15.83322851-
Gln/Leu/Lys/Tyr-ME823241--16.05198093-
Gluconic acidGluconic acidME823386-C00257_C00880_C15930_C00800_C00817_C00770_C0051413.95625118-
GluconolactoneGluconolactoneME823378-C02692_C0019811.63154735-
GlucosamineGlucosamineME823387-C00329_C0834916.30136405-
glucosylglycerate-ME823434-C1154414.56127017-
GlucosylsphingosinePsychosineME823234-C031087.798901664-
Glucuronic acidGlucuronic acidME823379-C0019114.08604443-
Glu/Gln/Gln/Arg/Tyr-ME823263--8.877452117-
Glu/Gly/ValGlu-Gly-ValME823134--12.34765215-
Glu/Ile/Ile/Ile/Ile-ME823254--14.32141122-
Glu/Met/ProGlu-Met-ProME823162--11.58606814-
Glu/SerGlu-SerME823413--15.15875505-
Glu/Ser/ValGlu-Ser-ValME823150--11.11554605-
Glu/ValGlu-ValME823100--11.19860561-
Glyceric acidGlyceric acidME823287-C0025811.42923698-
glycero-L-galacto-Octulose-ME823419--14.78115328-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME823391-C0327414.20891446-
glycerophosphoserinesn-Glycero-3-phosphoserineME823389--14.27817823-
Heptadecanoic acidMargaric acidME823185--3.922623679-
His/His/Lys/Asn/Ser-ME823235--4.271015144-
His/His/Pro/Pro/Gln-ME823245--28.58871982-
His/Lys/Met/Pro/Val-ME823246--10.12409342-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME823394-C0556515.00640059-
Hydrogen phosphatePhosphoric acidME823442-C0000912.56075556-
hydrogen trioxo[3-(1-chromen-1-ylium-2-yl)phenoxy]...-ME823165--12.15175837-
Hydroxyethylpromethazine-ME823201--14.78374358-
HydroxymethylphosphonateHydroxymethylphosphonic acidME823441-C0645514.1491016-
HydroxyphenylacetylglycineHydroxyphenylacetylglycineME823094-C055967.807023391-
Ile/Arg/Val/Val/Tyr-ME823266--13.14531394-
Ile/AsnIle-AsnME823103--8.862699505-
Ile/Gly/ValIle-Gly-ValME823151--7.849777655-
Ile/Ile/Ile/Gln/Val-ME823251--15.16502535-
Ile/Ile/Ile/Ile/Gln-ME823255--14.9702034-
Ile/Ile/Ile/Ile/Met-ME823257--11.5438386-
Ile/Met/Thr/Tyr-ME823231--14.61452026-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME823358-C0513012.21214968-
Imidazoleacetic acidImidazoleacetic acidME823359-C0283514.96419215-
Indoleacrylic acidIndoleacrylic acidME823124--8.799807296-
IndolepyruvateIndolepyruvateME823125-C003318.948229588-
Isradipine-ME823198--13.92592087-
LactosamineLactosamineME823138-C0020314.29299464-
LomustineLomustineME823433-C0707912.30504321-
Longicaudatin-ME823240--11.60774124-
LysoPA(16:0)LPA 16:0ME823206-C00416_C040367.811689092-
LysoPE(18:2)LPE 18:2ME823228--7.811784196-
LysoPE(20:5)LPE 20:5ME823236--4.679512833-
LysoPS(20:4)LPS 20:4ME823242--7.812919653-
Lys/ValLys-ValME823122--13.7705255-
Malic acidMalic acidME823343-C00149_C03668_C0049715.49606569-
Malonic semialdehydeMalonic semialdehydeME823285-C0022211.53406085-
Margaroyl-EAMargaroyl-EAME823205--3.864629886-
Melatonin glucuronide-ME823202--23.90156628-
melibionate-ME823137--12.35105023-
Met/Cys/CysMet-Cys-CysME823120--17.5602394-
MethocarbamolMethocarbamolME823116--7.822224827-
Methylselenopyruvate-ME823341-C1890415.95903186-
Miroestrol-ME823210-C0883114.34926606-
Monomethyl sulfateMethyl sulfateME823440-C0270412.40359722-
N-(1-Deoxy-1-fructosyl)threonine-ME823106--14.31792412-
N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1...-ME823284--7.738409667-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME823418-C0421014.21801799-
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucin...-ME823164--13.84357754-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME823417-C0113312.05976983-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME823421--13.26418685-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME823396-C0104214.17847154-
N-AcetylleucineN-AcetylleucineME823415-C0271011.76414422-
N-Acetylneuraminic acidN-Acetylneuraminic acidME823118-C00270_C1991013.01561558-
Nalpha,Nalpha-Dimethyl-L-histidineN,N-DimethylhistidineME823411-C0425912.31543496-
N-Butyl-beta-carboline-3-carboxylate-ME823167-C138054.816384121-
N-D-GlucosylarylamineN-D-GlucosylarylamineME823133-C031427.801110758-
N-EthylglycocyamineN-EthylglycocyamineME823420-C0285213.32361424-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME823422--11.03759515-
nicotine blue leuco form-ME823111--22.0638544-
NitrendipineNitrendipineME823154-C077134.629748332-
N,N-Dihydroxy-L-tyrosineN,N-Dihydroxy-tyrosineME823427-C1550312.45182012-
N-Nonanoylglycine-ME823121--7.809836457-
octadecenoic acidOctadecenoic acidME823191--3.911340339-
O-mannopyranosyl-alpha-1,3-[O-mannopyranosyl-alpha...-ME823277--18.72845971-
OrotidineOrotidineME823096-C0110311.8593-
Oxidized Photinus luciferinOxidized Photinus luciferinME823108-C0379712.55626799-
OxmetidineOxmetidineME823199-C1180312.1980747-
Oxopurpureine-ME823216--14.84038463-
PA(32:0)PA 32:0ME823270-C004163.799156481-
PA(34:1)PA 34:1ME823275-C00416_C138893.766568547-
PA(34:2)PA 34:2ME823274-C004163.771345692-
PA(36:1)PA 36:1ME823281--3.758837624-
PA(36:2)PA 36:2ME823279-C004163.747149449-
PA(36:3)PA 36:3ME823278--3.763391938-
PA(38:5)PA 38:5ME823294--3.739727677-
PA(38:6)PA 38:6ME823293--3.746560648-
Palmitic acidPalmitic acidME823174-C002497.746856056-
Palmitoleic acidPalmitoleic acidME823173-C083623.956707248-
PA(O-38:5)PA O-38:5ME823295--3.729486289-
PC(33:2)PC 33:2ME823297-C001574.571283878-
PC(35:5)PC 35:5ME823308-C001573.944496034-
PC(P-36:3)PC P-36:3ME823317-C001577.731610756-
PE-ME823403--8.792116726-
PE(34:1)PE 34:1ME823283-C13877_C003505.565303236-
PE(34:2)PE 34:2ME823280-C003504.021381463-
PE(36:1)PE 36:1ME823299-C003504.002138801-
PE(36:3)PE 36:3ME823296-C003503.99483225-
PE(38:4)PE 38:4ME823310-C003503.950888631-
PE(P-34:1)PE P-34:1ME823282-C003504.696376087-
PE(P-36:1)PE P-36:1ME823298-C003503.995105743-
PE(P-38:4)PE P-38:4ME823309-C003505.399157264-
PE(P-40:4)PE P-40:4ME823322-C003503.948808613-
PE(P-40:6)PE P-40:6ME823319-C003503.908119632-
PE(P-40:7)PE P-40:7ME823318-C003503.908158871-
PG(34:1)PG 34:1ME823292-C138833.705088974-
PG(36:0)PG 36:0ME823307--3.964988975-
PG(36:1)PG 36:1ME823305--3.795363707-
PG(36:2)PG 36:2ME823303--3.686721498-
PG(38:5)PG 38:5ME823315--3.68033654-
PG(40:10)PG 40:10ME823326--7.816264769-
PGP(a-29:0)-ME823271--12.10931644-
Phe/AlaPhe-AlaME823131--7.832114834-
Phe/AspPhe-AspME823146--10.75494145-
Phe/GlyPhe-GlyME823114--7.827710732-
Phe/Gly/Tyr/Tyr-ME823252--14.61057229-
PhenolsulfonphthaleinPhenolsulfonphthaleinME823196-C126007.795346279-
Phe/Phe/Phe/Pro/Thr-ME823272--14.61114382-
Phe/Phe/Pro/Val/Tyr-ME823273--14.53553456-
Phe/ThrPhe-ThrME823147--7.837548293-
PHODiA-PE-ME823256--4.012871769-
Phosphoramidate-ME823443-C0230627.84862565-
PhytuberinPhytuberinME823180-C097094.060245658-
PI(34:2)PI 34:2ME823311-C006263.769841935-
PI(36:1)PI 36:1ME823324--3.791295968-
PI(36:2)PI 36:2ME823323-C006263.783281708-
PI(36:4)PI 36:4ME823320-C006263.776106988-
PI(38:4)PI 38:4ME823331-C006263.767027779-
PI(38:5)PI 38:5ME823330-C006263.764445692-
PI(O-34:0)PI O-34:0ME823312--14.96977458-
PIP(38:4)PIP 38:4*ME823332-C006267.830447397-
prebassianin A-ME823225--10.69419657-
ProteacinProteacinME823212-C0833914.17747937-
PS(34:1)PS 34:1ME823291-C138803.789002691-
PS(36:1)PS 36:1ME823304-C027373.78400151-
PS(36:2)PS 36:2ME823302--3.774847622-
PS(36:3)PS 36:3ME823301--3.774869357-
PS(36:4)PS 36:4ME823300--3.776584145-
PS(38:4)PS 38:4ME823316-C027373.758610201-
PS(38:5)PS 38:5ME823314--3.755180371-
PS(38:6)PS 38:6ME823313--3.758915579-
PS(39:4)PS 39:4ME823321--3.749336009-
PS(40:4)PS 40:4ME823329--3.756413175-
PS(40:5)PS 40:5ME823328-C027373.74969021-
PS(40:8)PS 40:8ME823327--3.756455641-
PseudouridinePseudouridineME823429-C0206716.51933787-
PS(O-36:1)PS O-36:1ME823306--5.396487306-
PS(O-42:6)PS O-42:6ME823334--4.008903282-
Pyridoxine 5'-phosphatePyridoxine 5'-phosphateME823410-C0062713.48203712-
Pyrimidine 5'-deoxynucleotide-ME823430-C0824914.71137152-
Pyrogallol-2-O-glucuronide-ME823128--15.05672086-
QuinalphosQuinalphosME823129-C110304.104281649-
RhamnoseRhamnoseME823383-C00507_C02338_C02476_C0252211.34151011-
Ribitol 5-phosphate-ME823357-C02895_C01068_C02883_C0350915.33274338-
Ribose 5-phosphateRibose 5-phosphateME823355-C03736_C0011715.19444096-
Sambutoxin-ME823249--4.775718828-
selenium dioxide-ME823444--12.51660374-
Ser/Ser/Tyr/Tyr/Tyr-ME823269--14.62597851-
SM(d40:1(OH))-ME823325-C005507.612795422-
SM(d42:1(OH))-ME823333-C005504.464380185-
Sphinganine 1-phosphateSphinganine 1-phosphateME823194-C011207.829331486-
Sphingosine 1-phosphateSphingosine 1-phosphateME823193-C061244.833965884-
Stearic acidStearic acidME823192-C015303.900071514-
Succinic acidSuccinic acidME823342-C0004214.66348457-
SulfoacetateSulfoacetic acidME823258-C1417915.46815867-
sulfoglutathione-ME823098--18.41208867-
Tartaric acidTartaric acidME823344-C00552_C00898_C0210716.93044442-
TaurineTaurineME823261-C0024514.7244617-
Tetrahydrodipicolinate-ME823408-C039727.820636815-
TetrahydropalmatineTetrahydropalmatineME823217-C0289011.23177667-
Thiolutin-ME823424--13.13466757-
Thioridazine-ME823218--4.786258443-
Thr/GlyThr-GlyME823381--11.52539248-
TiotropiumTiotropiumME823197--4.030644379-
Triazolam-ME823175--15.82099684-
Trihexosylceramide (d18:1/16:0)Hex3Cer 18:1;O2/16:0ME823351-C047377.853337596-
Trihexosylceramide (d18:1/24:1)Hex3Cer 18:1;O2/24:1ME823372-C047377.857713767-
Trp/ProTrp-ProME823169--8.361438075-
Tuberculostearic acidTuberculostearic acidME823204-C167943.894181164-
UracilUracilME823336-C0010611.86768744-
Ureidosuccinic acidN-Carbamoylaspartic acidME823367-C0043816.20061907-
Uridine diphosphate-N-acetylgalactosamineUDP-N-acetylgalactosamineME823181-C00203_C0117014.68167528-
Urocanic acidUrocanic acidME823392-C0078512.28522097-
Val/ValVal-ValME823107--7.80893037-
xanthurenic acid 8-O-sulfate-ME823109--12.14775566-
XylobioseXylobioseME823102-C0163013.73042742-


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