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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-ME724352--16.55607685-
1,4-beta-D-Glucan1,4-beta-D-GlucanME724394-C00760_C007603.888954358-
1,6-Digalloyl-beta-D-glucopyranose-ME724419-C0410114.65652603-
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one-ME724410--14.4848386-
1-Deoxynojirimycin-ME724610-C16843_C1014115.79800029-
1-deoxyxylonojirimycin-ME724582--16.22162655-
1-dimethylarsinoyl-octadecane-ME724433--4.252841806-
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...-ME724507--3.748488424-
1H-Indole-3-acetamide1H-Indole-3-acetamideME724205-C026937.824492624-
1-Methylhistidine1-MethylhistidineME724627-C0115212.64478714-
1-(Methylthio)-5-phenyl-1-penten-3-yne-ME724278--12.01256291-
1-O-malyl-beta-D-glucose-ME724219--14.71244403-
1-StearoylglycerophosphoserineLPS 18:0ME724461--4.248315907-
2-(4-Methyl-5-thiazolyl)ethyl butanoate-ME724216--13.3702578-
2,4-pentadienoic acidbeta-Vinyl acrylic acidME724589--13.92909436-
2-(4-sulfophenyl)butyrate-ME724211--13.78001758-
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxyme...-ME724673--8.342768269-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME724611-C0375212.17722442-
2-amino-2-deoxy-D-gluconate 6-phosphate-ME724614--11.96352867-
2-amino-2-deoxyglucitol-6-phosphate-ME724619--14.66706263-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimid...-ME724465--12.93637531-
2-Aminoacrylic acid2-Aminoacrylic acidME724512-C0221814.81962534-
2-Aminoheptanoate2-Aminoheptanoic acidME724636--13.34662425-
2-Aminonaphthalene2-AminonaphthaleneME724243-C0222711.59754945-
2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate-ME724230-C1103917.56392929-
2-Hydroxy-6-ketononatrienedioate-ME724706-C1262413.57589651-
2-Hydroxyacetaminophen sulfate2-Hydroxyacetaminophen sulfateME724662--17.3560628-
2-MethylbutyroylcarnitineCAR 4:0;2MeME724300--8.232476785-
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate ...-ME724651--16.10255352-
2-Oxoarginine2-OxoarginineME724599-C0377114.1505134-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...-ME724368-C1157111.4273677-
(2R,3S)-Piscidic acid(2R,3S)-Piscidic acidME724248--12.70538839-
2-thiouridine-ME724668--14.93984112-
3,3',7-Trihydroxy-4'-methoxyflavone-ME724366-C05902_C04293_C10038_C10098_C17059_C1005816.99205743-
3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,...-ME724458--15.68719384-
{[3,4,5-trihydroxy-6-(5-hydroxy-7-methoxy-4-oxo-2-...-ME724443--13.92614625-
3,5-dibromocatechol-ME724620--27.47092748-
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydrox...-ME724280--13.13843183-
3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-...-ME724492--7.830212793-
3-Amino-2-piperidone3-Amino-2-piperidoneME724575--11.10256996-
3-Amino-6H-dibenzo[b,d]pyran-6-one-ME724323-C1495222.0675634-
3-Butynoate3-Butynoic acidME724569-C0614413.70880316-
3-deoxy-D-galactose3-DeoxygalactoseME724616--12.31310131-
3-Deoxyvitamin D33-Deoxyvitamin D3ME724482--5.423342306-
3-(Dimethylamino)propyl benzoate3-(Dimethylamino)propyl benzoateME724284-C141688.136739323-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME724640-C006328.725290708-
3-Oxo-carbofuran-ME724279--7.926884213-
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-...4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olME724491--3.995123287-
4-amino-4-deoxy-L-arabinose-ME724583--15.60217964-
4-coumaroyl-3-hydroxyagmatine-ME724335--20.93035522-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME724579-C0103515.08198408-
4-Heptyloxyphenol4-HeptyloxyphenolME724313-C1423627.90823677-
4-Imidazolone-5-propionic acid4-Imidazolone-5-propionic acidME724623-C0368010.78341466-
4-Methoxyglucobrassicin4-MethoxyglucobrassicinME724377-C0842315.19461649-
4-Oxoproline4-Oxo-prolineME724590-C0187714.55440069-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME724630-C0411410.74992633-
5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein-ME724308--13.31481965-
5-Acetamidovalerate5-Acetamidovaleric acidME724631-C0308712.31214691-
5-Aminolevulinic acid5-Amino-levulinic acidME724593-C0043014.32778166-
5-caC-ME724587--8.529110017-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME724246-C00643_C0101710.82068408-
5-isobutylthioribose-ME724699--12.17539061-
5'-Methylthioadenosine5'-MethylthioadenosineME724251-C001707.833537112-
6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-...-ME724445--14.33135029-
6-diazo-5-oxonorleucine-ME724626--14.79297252-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME724213-C0458314.46696075-
6-Hydroxy-R-acenocoumarol-ME724398--12.6322982-
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3...-ME724435--10.88647299-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...-ME724451--8.536288477-
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-t...-ME724418--12.95668866-
8-(3,3-Dimethylallyl)spatheliachromene-ME724422-C0900212.78131963-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME724691-C0109211.82986088-
8-methylthiooctylhydroximoyl-L-cysteine-ME724303--15.71052172-
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic aci...-ME724395-C148285.73599684-
AcetylcarnitineCAR 2:0ME724692-C0257117.94015867-
AdenineAdenineME724588-C001479.678808465-
Adenosine monophosphateAMPME724214-D06299_C0002013.46291326-
aeruginosin A-ME724326--23.89226462-
Aklanonic acid methyl ester-ME724442-C1242213.89240735-
Ala/Ala/AlaAla-Ala-AlaME724688--10.12350922-
Ala/Ala/Ala/Pro-ME724337--9.946774534-
Ala/Ala/Ala/Ser-ME724296--15.96840996-
Ala/Ala/SerAla-Ala-SerME724689--11.7955891-
Ala/ArgAla-ArgME724702--16.40239913-
Ala/AsnAla-AsnME724629--11.68484405-
Ala/Asn/AspAla-Asn-AspME724255--15.16218866-
Ala/Asn/ProAla-Asn-ProME724290--12.20830052-
Ala/Asn/Pro/Pro-ME724379--10.96158927-
Ala/Asp/Asp/Asn/Pro-ME724428--14.3686028-
Ala/Asp/Cys/Tyr-ME724402--8.19925988-
Ala/Asp/ProAla-Asp-ProME724286--14.39838813-
Ala/Asp/SerAla-Asp-SerME724225--15.37216292-
Ala/Cys/Cys/Asn/Thr-ME724380--16.4167287-
Ala/Cys/Cys/Cys/Asn-ME724372--13.15593254-
Ala/Glu/Asn/Ile-ME724393--11.39708337-
Ala/Glu/Glu/His-ME724406--15.08268829-
Ala/Gly/ProAla-Gly-ProME724221--12.42549411-
Ala/Gly/TyrAla-Gly-TyrME724334--9.915649137-
Ala/HisAla-HisME724675--11.19832295-
Ala/Ile/Arg/Ile-ME724440--28.56630927-
Ala/Ile/Pro/Pro/Ser-ME724447--18.0926533-
Ala/Leu/Ala/Ala-ME724364--4.828546651-
Ala/Leu/Gly/Arg-ME724383--11.25085259-
Ala/Leu/Gly/Tyr-ME724427--13.10960693-
Ala/LysAla-LysME724700--16.46834806-
Ala/Lys/Ala/Ala-ME724365--14.18296216-
Ala/Lys/Asp/Pro-ME724392--14.65502916-
Ala/Lys/Lys/Asp-ME724412--14.19367142-
Ala/Lys/Thr/Arg-ME724414--3.696634505-
Ala/Met/Cys/Cys-ME724345--11.6033627-
Ala/Met/Trp/Asp-ME724450--16.83089154-
AlanineAlanineME724514-C00041_C0013314.69460336-
alanyl-L-alpha-thiophenylglycine-ME724250--11.09804002-
Ala/Phe/Thr/Pro-ME724437--22.06463275-
Ala/ProAla-ProME724645--11.33094165-
Ala/Pro/Ser/Ser-ME724338--14.20232498-
Ala/Ser/SerAla-Ser-SerME724690--15.23850277-
Ala/Thr/Ala/Asp-ME724339--15.01103246-
Ala/Thr/Ala/Ser-ME724319--16.31668358-
Ala/Val/Asp/Ser-ME724363--12.12701119-
Ala/Val/Gly/Pro-ME724362--5.381316086-
AllysineAllysineME724601-C01475_C0407612.44999807-
AloesinAloesinME724401-C0899413.90479519-
alpha-D-desosamine-ME724657--12.6337341-
AmidosulfuronAmidosulfuronME724682-C1093313.07669487-
Aminoadipic acidAminoadipic acidME724603-C0095611.13283355-
Aminohydroquinone-ME724622-C1460412.18659983-
Anthemis glycoside B-ME724498-C083274.317429743-
Apetalolide-ME724472-C091587.839585627-
Arg/Phe/Cys/Gly-ME724429--11.10022801-
Arg/TyrArg-TyrME724360--14.12832938-
Arsenobetaine-ME724578-C1933111.14853031-
Asn/ArgAsn-ArgME724238--16.41370943-
Asn/AsnAsn-AsnME724647--13.51940069-
Asn/AspAsn-AspME724643--15.3639368-
Asn/HisAsn-HisME724215--12.96199721-
Asn/Leu/Lys/Asp-ME724432--13.26425622-
Asn/Leu/Pro/Pro-ME724431--10.89416489-
Asn/Lys/Gly/Gly-ME724346--15.62938825-
Asn/Lys/Met/Thr-ME724413--9.392644359-
Asn/Phe/Asn/Gly-ME724404--12.89666673-
Asn/ProAsn-ProME724680--13.13664946-
Asn/Thr/Cys/Ser-ME724343--14.96132853-
Asparaginyl-Hydroxyproline-ME724681--13.49769059-
AspartylglycosamineAspartylglycosamineME724293-C0454015.83342631-
Asp/Cys/Ser/Tyr-ME724403--16.29617661-
Asp/Gly/ArgAsp-Gly-ArgME724297--17.66892208-
Asp/Gly/HisAsp-Gly-HisME724283--14.30625256-
Asp/His/His/Met/Trp-ME724495--16.5186527-
Asp/Phe/Pro/His-ME724457--11.1769091-
Asp/ProAsp-ProME724674--15.03100909-
Asp/Pro/SerAsp-Pro-SerME724287--13.68534307-
Asp/Thr/Cys/Cys-ME724340--16.39919793-
Avicularin-ME724416--10.82108332-
bathophenanthroline sulfonate-ME724456--17.53460918-
benzoyl-L-arginine-ME724312-C0300114.93304194-
BiotinBiotinME724217-C001208.612773403-
Biotin amideBiotin amideME724220-C0189310.58241664-
BPH-674-ME724367--15.61445685-
Brassicanal ABrassicanal AME724244-C1104822.84108993-
Brusatol-ME724473-C0875414.13740913-
ButyrylcarnitineCAR 4:0ME724270-C028628.903245375-
Caffeoylferuloylspermidine-ME724474--9.49182979-
Canadine-ME724421-C11818_C033294.721168462-
CancentrineCancentrineME724500-C0937010.40952422-
CapryloylglycineCapryloylglycineME724234--10.59533676-
CarnitineCarnitineME724637-C00318_C0048713.26306821-
CDP-glucoseCDP-glucoseME724361-C0050113.4712416-
CDP-ribitolCDP-ribitolME724341-C0078916.16235752-
Cer(d40:1)Cer 40:1;O2ME724520--5.158623548-
Cer(d40:2)Cer 40:2;O2ME724516--3.997840602-
Cer(d42:2)Cer 42:2;O2ME724529-C001953.906830956-
CeruleninCeruleninME724285-C1205810.28101448-
ChlorambucilChlorambucilME724333-C0690013.87796641-
Chlordane-ME724240-C1417627.46000001-
Chlorosesamone-ME724350--11.71256059-
ChorismateChorismic acidME724206-C002517.955508907-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophenecis-1,2-dihydroxy-1,2-dihydrodibenzothiopheneME724276-C0672113.11404287-
cis-Resveratrol 3-sulfate-ME724328--13.81556334-
CitrullineCitrullineME724607-C0032715.84241763-
Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adeno...-ME724596--26.89088361-
coelenterazine v-ME724487--15.78115769-
Compound VII-ME724385-C0648922.06201352-
CreatineCreatineME724571-C0030014.59756327-
CreatinineCreatinineME724570-C007919.787907125-
CTAB-ME724415-C112758.561599238-
cycloguanil-ME724249--11.21664924-
Cys/Asp/Asp/Pro/Ser-ME724407--3.887789622-
Cys/Cys/Asn/Gln/Thr-ME724411--15.24919079-
Cys/Cys/Asn/Ser/Thr-ME724381--16.8495397-
Cys/Cys/Asp/Asn/Pro-ME724408--16.83180378-
Cys/Gly/ProCys-Gly-ProME724222--10.54258899-
Cys/Gly/Ser/Tyr-ME724378--11.09054828-
Cys/Gly/Trp/Trp/Trp-ME724505--10.10343068-
Cys/Lys/Thr/Thr/Thr-ME724439--13.8579492-
Cysteineglutathione disulfideS-Glutathionyl-cysteineME724316-C0552616.66547981-
cytidine 5'-{[hydroxy(2-hydroxyethyl)phosphonoyl]p...-ME724256--13.82289271-
DeoxycytidineDeoxycytidineME724670-C0088113.37837896-
Deoxyguanidinoproclavaminic acidDeoxyamidinoproclavaminic acidME724687-C0665614.8812462-
DG(36:2)DG 36:2ME724509-C001653.868847033-
DG(44:4)DG 44:4ME724555--27.52082284-
Diaminopimelic acidDiaminopimelic acidME724633-C0066614.13761424-
dibenzothiophene-5-oxide-ME724306--11.43725858-
DiethanolamineDiethanolamineME724568-C0677214.72358774-
Diethyl tartrate-ME724648--13.73702787-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME724671-C02953_C002689.829220371-
Dihydrozeatin-O-glucosideDihydrozeatin-O-glucosideME724371-C1644810.81867051-
DimethylethanolamineDimethylethanolamineME724567-C0430817.26578741-
dIMPdIMPME724212-C0619614.37025314-
diuronDiuronME724663--12.98369873-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME724656--13.32876401-
DopaDOPAME724666-C003557.854020835-
EctoineEctoineME724597-C0623112.94267533-
EpinephrineEpinephrineME724672-C0078813.33111504-
erucamide13Z-DocosenamideME724448--5.554299478-
erythro-D-galacto-octitol-ME724659--15.46170914-
Erythro-imidazole-glycerol-phosphate-ME724598-C0466613.78069024-
FagomineFagomineME724609-C1014412.12772463-
Ferulic acid 4-sulfateFerulic acid 4-sulfateME724207--14.51163005-
Galipine-ME724420-C106834.715914336-
Gallagic acid-ME724486--15.87111124-
gamma-Aminobutyric acidgamma-Aminobutyric acidME724572-C0033412.20486985-
gamma-Fagarine-ME724307-C1067622.07120642-
Gamma glutamyl ornithinegamma-GlutamylornithineME724233--13.20335157-
Gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME724686-C0569515.83070887-
gamma-thiomethyl glutamate-ME724604--10.80490347-
GentisinGentisinME724325-C1006614.67877772-
Glu/Ala/ProGlu-Ala-ProME724314--14.24399177-
Glu/Ala/SerGlu-Ala-SerME724259--14.50973818-
Glu/Ala/ThrGlu-Ala-ThrME724292--13.22123329-
Glu/Ala/ValGlu-Ala-ValME724318--10.77604575-
Glu/ArgGlu-ArgME724268--16.44854309-
Glu/Asp/ValGlu-Asp-ValME724336--15.4892334-
Glu/Glu/Glu/Lys/Trp-ME724496--11.72320728-
Glu/Glu/Lys/Pro-ME724438--16.11177568-
Glu/Glu/ProGlu-Glu-ProME724358--16.41950427-
Glu/LysGlu-LysME724267-C0470016.6871123-
Glu/Met/ThrGlu-Met-ThrME724342--11.96158326-
Glutamic acidGlutamic acidME724594-C00217_C00025_C0030214.38103499-
GlutamineGlutamineME724576-C00064_C0081914.96214101-
glutathione sulfinate-ME724226--16.65440367-
Gly/ArgGly-ArgME724655--16.95478172-
Gly/HisGly-HisME724642--5.143929213-
Gly/LeuGly-LeuME724652-C021555.402618306-
Gravacridonolchlorine-ME724399--11.35177683-
Guanidoacetic acidGuanidoacetic acidME724513-C0058115.69795097-
Halosulfuron-methyl-ME724309-C1844217.57086444-
Heptadecanoyl carnitineCAR 17:0ME724459--4.710527061-
HeterodendrinHeterodendrinME724260-C0833212.72973264-
His/Asn/Arg/Ser/Ser-ME724446--15.21367726-
His/HisHis-HisME724282--11.21816501-
His/LeuHis-LeuME724289-C050105.162017131-
HistidineHistidineME724625-C06419_C0013515.72048934-
Histidine trimethylbetaineHercynineME724678-C0557512.26811593-
HomocitrullineHomocitrullineME724635-C0242715.11630377-
HomoglutathioneHomoglutathioneME724258-C0454412.63944056-
HydroxybutyrylcarnitineCAR 4:0;OHME724271--11.42315506-
HydroxyhexanoycarnitineCAR 6:0;OHME724320--9.223297355-
hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME724301--10.66776813-
HypoxanthineHypoxanthineME724586-C0026210.18234316-
Ile/AlaIle-AlaME724696--12.77143629-
Ile/Ala/SerIle-Ala-SerME724299--13.78978267-
Ile/ArgIle-ArgME724305--12.37619907-
Ile/Arg/Arg/Arg/Tyr-ME724497--3.688842992-
Ile/Cys/GlyIle-Cys-GlyME724266--10.96336181-
Ile/Cys/PheIle-Cys-PheME724390--8.793594163-
Ile/Gly/LysIle-Gly-LysME724347--13.05296258-
Ile/LysIle-LysME724304--12.48286489-
Ile/Lys/ProIle-Lys-ProME724382--21.35076346-
Ile/ProIle-ProME724262--10.21655475-
Ile/SerIle-SerME724697--7.9117345-
Ile/ThrIle-ThrME724236--7.853337479-
Ile/TyrIle-TyrME724355--8.442244057-
Ile/ValIle-ValME724273--4.821680341-
IndoleIndoleME724661-C0046311.60625689-
(indolylmethylthiohydroximoyl)-L-cysteine-ME724310-C1651812.89061609-
InosineInosineME724209-C0029410.87860603-
Inositol cyclic phosphateInositol cyclic phosphateME724605-C0429915.63793333-
IsoquinolineIsoquinolineME724705-C063238.804155896-
Kaempferol 3-sulfate-7-alpha-arabinopyranoside-ME724417--12.57005743-
Kievitone hydrateKievitone hydrateME724423-C0254910.21604419-
Kynurenic acidKynurenic acidME724242-C017178.205644246-
KynurenineKynurenineME724208-C0032810.90574619-
Labriformin-ME724493-C0887110.30117333-
Lacto-N-tetraoseLacto-N-tetraoseME724475-C0637116.53134562-
Lactosylceramide (d18:1/16:0)-ME724553-C012907.769365845-
LactoylglutathioneS-LactoylglutathioneME724315-C0345115.65676306-
LenticinLenticinME724331-C092138.804277416-
LeucineLeucineME724608-C16439_C00123_C0157010.89089994-
Leu/LeuLeu-LeuME724302-C113324.781818531-
LinatineLinatineME724223-C0593911.00862802-
Linoleyl carnitineCAR 18:2ME724467--4.647848379-
LongifolonineLongifolonineME724374-C095697.813983016-
Lys/Ala/GlyLys-Ala-GlyME724274--16.2620243-
Lys/AsnLys-AsnME724237--16.46386151-
Lys/GlyLys-GlyME724654--16.70350258-
Lys/HisLys-HisME724294--16.1931183-
LysineLysineME724613-C00739_C0004722.84977293-
Lys/Met/Thr/Thr/Thr-ME724452--9.534393443-
LysoPC(16:0)LPC 16:0ME724463-C04102_C042307.808993877-
LysoPC(16:1)LPC 16:1ME724460-C042304.773389275-
LysoPC(18:0)LPC 18:0ME724480-C042304.658540599-
LysoPC(18:1)LPC 18:1ME724478-C03916_C042307.804374065-
LysoPC(18:2)LPC 18:2ME724477-C04100_C042304.730816173-
LysoPC(18:3)LPC 18:3ME724476-C042304.774164811-
LysoPC(20:0)LPC 20:0ME724490-C042304.558170223-
LysoPC(20:3)LPC 20:3ME724489-C042303.917133886-
LysoPC(O-16:1)LPC O-16:1ME724462--4.709605908-
LysoPC(O-18:0)LPC O-18:0ME724481-C043174.702245962-
LysoPC(O-18:1)LPC O-18:1ME724479--4.714836742-
LysoPE(18:0)LPE 18:0ME724455--4.751943655-
LysoPE(18:1)LPE 18:1ME724454--7.803727689-
LysoPE(20:0)LPE 20:0ME724471--4.71491289-
LysoPE(20:4)LPE 20:4ME724466--7.802761283-
LysoPE(22:4)LPE 22:4ME724485--4.559039874-
LysoPE(22:5)LPE 22:5ME724484--4.579546435-
LysoPE(22:6)LPE 22:6ME724483--4.600075418-
Lys/PheLys-PheME724357--11.8510833-
Lys/ProLys-ProME724265--15.22917185-
Lys/SerLys-SerME724701--16.5697906-
Lys/ThrLys-ThrME724239--15.82586175-
Lys/Thr/SerLys-Thr-SerME724322--15.31507499-
Lys/Trp/GlyLys-Trp-GlyME724405--12.99241791-
Lys/Val/GlyLys-Val-GlyME724321--13.81819748-
Maleic acid homopolymerDimethyl maleateME724624-C0092213.55812032-
malyl alpha-D-glucosaminide-ME724228--15.20537419-
MannitolMannitolME724617-C00392_C0148913.89425338-
meleagrin-ME724449--15.31474131-
Met/Ala/GlyMet-Ala-GlyME724232--12.63559492-
MethionineMethionineME724581-C00073_C0173311.55083151-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME724679-C0122314.14419789-
Met/Phe/GlyMet-Phe-GlyME724370--11.58723305-
MK-129-ME724434-C1103414.1642813-
Montecristin-ME724501--3.7530027-
MOPS-ME724638--11.28936584-
Muramic acidMuramic acidME724694-C0647014.19292934-
MurrayanineMurrayanineME724327-C0922822.83991008-
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazolealpha-RibazoleME724332-C0577511.24967391-
N-(1-Deoxy-1-fructosyl)proline-ME724261--17.48333856-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME724698-C0413717.10234396-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME724224-C0528314.25152064-
N-(3-oxooctanoyl)-L-homoserine-ME724295--13.53184972-
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)ala...-ME724628--15.49306127-
N(6)-MethyllysineN(6)-MethyllysineME724639-C0272822.32658606-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME724704-C0379321.61856437-
N-Acetyl-b-glucosaminylamineN-Acetyl-beta-glucosaminylamineME724653-C0123913.04143739-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME724649-C1548011.48940459-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME724650-C02711_C03878_C00140_C0313612.01479104-
N-acetyl-L-2-aminoadipate(2-)N-Acetyl-2-aminoadipic acidME724644-C1298612.13286625-
N-AcetyllactosamineN-AcetyllactosamineME724344-C0061113.74773359-
N-Acetylneuraminic acid 9-phosphate-ME724263-C0624114.89834687-
N-AcetylvanilalanineN-AcetylvanilalanineME724281--4.567790633-
N-(docosenoyl)-hexadecasphing-4-enine-1-phosphoeth...-ME724519--7.726145093-
N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inosi...-ME724543--27.80123013-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME724658-C05545 _C0554521.3086264-
NeohesperidoseNeohesperidoseME724298-C0824415.97862382-
NeotussilagineTussilagineME724227-C1041110.46596493-
Neuraminic acidNeuraminic acidME724695-C0646916.75978228-
N'-FormylkynurenineN-Formyl-L-kynurenineME724247-C02406_C02700_C1560512.06287776-
N-Formyl-L-methionineN-FormylmethionineME724602-C0314514.61651532-
Ngaione (-)-ME724356-C0968927.09616422-
NiacinamideNiacinamideME724621-C001537.86431716-
nicotinamide guanine dinucleotide-ME724436--12.80464577-
Nigakinone-ME724349-C1699615.21485793-
Nitisinone-ME724324--12.10328781-
N-(L-Arginino)succinateArgininosuccinic acidME724231-C0340616.51340777-
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dia...-ME724409--3.906964115-
N-PalmitoylsphingosineCer 18:1;O2/16:0ME724499-C001953.917991938-
N-RibosylhistidineN-RibosylhistidineME724253--15.27023811-
N-Sulfo-D-glucosamineN-Sulfo-glucosamineME724612-C0107516.99040227-
OctylamineOctylamineME724660-C0174014.70912607-
OleoylcarnitineCAR 18:1ME724468--7.784283617-
Ophthalmic acidOphthalmic acidME724257--13.11896715-
OrnithineOrnithineME724584-C00077_C01602_C0051522.07321008-
OtonecineOtonecineME724683-C1035611.88681136-
Oxidized glutathioneOxidized glutathioneME724430-C0012717.00306283-
PalmitoylcarnitineCAR 16:0ME724453-C029907.793585492-
PalmitoylethanolamidePalmitoyl-EAME724396-C165124.596925111-
Pantothenic acidPantothenic acidME724693-C008648.432436721-
PC(29:0)PC 29:0ME724503-C001573.748359955-
PC(29:1)PC 29:1ME724502-C001573.758719623-
PC(32:1)PC 32:1ME724518-C001574.122120821-
PC(34:2)PC 34:2ME724528-C001575.61235675-
PC(35:6)PC 35:6ME724533--3.957650273-
PC(36:2)PC 36:2ME724541-C001574.060112234-
PC(36:3)PC 36:3ME724540-C001574.572065065-
PC(36:4)PC 36:4ME724539-C001574.061969014-
PC(38:4)PC 38:4ME724552-C001574.017985932-
PC(38:5)PC 38:5ME724550-C001574.024632045-
PC(38:6)PC 38:6ME724549-C001574.032408603-
PC(40:5)PC 40:5ME724562-C001574.007979911-
PC(40:6)PC 40:6ME724561-C001573.999924626-
PC(40:7)PC 40:7ME724560-C001574.021564529-
PC(O-16:0)PC O-16:0ME724464-C139034.784040586-
PC(P-38:4)PC P-38:4ME724551-C001574.027336621-
P-DPD-ME724595--15.40394592-
PE(34:3)PE 34:3ME724508-C003503.803807411-
PE(35:0)PE 35:0ME724521-C003505.098462111-
PE(36:4)PE 36:4ME724524-C003503.977478584-
PE(37:1)PE 37:1ME724530-C003504.105135021-
PE(38:1)PE 38:1ME724536-C003504.098829687-
PE(42:2)PE 42:2ME724556-C0035013.93832342-
PE(43:4)PE 43:4ME724563--4.002547853-
PencycuronPencycuronME724400-C1101211.25486481-
penem CGP31608-ME724667--13.84195164-
PE(P-20:0)PE P-20:0ME724470--4.670256293-
PE(P-36:2)PE P-36:2ME724526-C003504.068503962-
PE(P-36:4)PE P-36:4ME724523-C003503.978176222-
PE(P-38:3)PE P-38:3ME724535-C003503.953666396-
PE(P-38:5)PE P-38:5ME724534-C003503.952610942-
PE(P-38:6)PE P-38:6ME724532-C003503.946484962-
PE(P-40:5)PE P-40:5ME724545-C003503.93141008-
Phe/ArgPhe-ArgME724359--13.07238495-
Phe/Arg/Arg/Arg/Thr-ME724494--3.662834519-
Phe/AsnPhe-AsnME724311--8.064674397-
Phe/Cys/ArgPhe-Cys-ArgME724391--14.27833716-
phe-FMDP-ME724375--11.26332751-
Phe/Gly/HisPhe-Gly-HisME724376--7.887631508-
PhenylalaninePhenylalanineME724664-C00079_C0226510.21736573-
phenyl sulfoxide-ME724277--16.94950405-
PhosphocreatinePhosphocreatineME724566-C0230514.79474628-
PhosphophosphinatePhosphophosphinateME724618-C1202213.13572071-
PI(32:1)PI 32:1ME724525-C006263.771431441-
Pipecolic acidPipecolic acidME724600-C0040811.19056277-
Prenol3-Methyl-2-buten-1-olME724577-C0139020.21218846-
Pro/HisPro-HisME724252--12.0064337-
ProlineProlineME724591-C00148_C0076312.77393817-
PropionylcarnitineCAR 3:0ME724235-C030179.828275164-
Pro/SerPro-SerME724646--12.62905866-
ProsopinineProsopinineME724373--5.890477063-
ProsulfuronProsulfuronME724351-C1095011.58827066-
PS(34:0)PS 34:0ME724517--3.766129574-
PS(42:10)PS 42:10ME724559--3.723973391-
PyridoxinePyridoxineME724641-C003148.253588152-
Quercetagetin 3'-methylether 7-glucoside-ME724444--13.91502218-
Quinaldic acidQuinaldic acidME724241-C063257.796246652-
quinocarcin-ME724387--22.84209792-
(R) 2,3-Dihydroxy-3-methylvalerate-ME724606-C04104_C0600712.21041285-
ResistomycinResistomycinME724441-C1208012.11504415-
RibitolRibitolME724585-C01904_C00474_C0037912.95138597-
RugosinoneRugosinoneME724397-C0963413.18397666-
Salicyluric beta-D-glucuronideSalicyluric glucuronideME724353--14.74219007-
(S)C(S)S-S-Methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME724574--11.8462689-
Selenium Sulfide-ME724707--27.86927254-
Ser/ArgSer-ArgME724703--16.50959856-
Ser/HisSer-HisME724676--12.16102948-
SerineSerineME724515-C00740_C00065_C0071615.65441573-
SerotinoseVicianoseME724264-C08245_C11535_C0162514.39857504-
SlaframineSlaframineME724288-C0618510.13801344-
SM(d32:1)SM 32:1;O2ME724504--7.759378257-
SM(d33:1)SM 33:1;O2ME724506--7.753974349-
SM(d34:1)SM 34:1;O2ME724511-C005507.742891306-
SM(d34:2)SM 34:2;O2ME724510--7.750412972-
SM(d35:1)SM 35:1;O2ME724522--7.735309954-
SM(d36:1)SM 36:1;O2ME724527-C005504.333962095-
SM(d37:1)SM 37:1;O2ME724531--7.691254031-
SM(d38:1)SM 38:1;O2ME724538-C005507.67665398-
SM(d38:2)SM 38:2;O2ME724537-C005504.283061288-
SM(d39:1)SM 39:1;O2ME724544--7.644224466-
SM(d39:2)SM 39:2;O2ME724542--7.675059099-
SM(d40:1)SM 40:1;O2ME724548-C005504.384676829-
SM(d40:2)SM 40:2;O2ME724547--4.286871218-
SM(d40:3)SM 40:3;O2ME724546-C005507.662213184-
SM(d41:2)SM 41:2;O2ME724554--4.305146834-
SM(d42:1)SM 42:1;O2ME724558--7.609314024-
SM(d42:3)SM 42:3;O2ME724557--4.739869652-
SM(d43:1)SM 43:1;O2ME724565--7.541891127-
SM(d43:2)SM 43:2;O2ME724564-C005507.575283625-
StearoylcarnitineCAR 18:0ME724469--7.780069634-
TecostanineTecostanineME724269-C0998919.92718552-
TemurinTemurinME724669--9.471622076-
tetrahydrocolumbamine-ME724424-C0411811.11434583-
Thiazinamium-ME724386--12.49902039-
thioacetazone-ME724210--23.8991562-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME724592-C039018.189969918-
Thr/Ala/ProThr-Ala-ProME724291--15.24929734-
ThreonineThreonineME724573-C00188_C0082014.39229784-
Thr/HisThr-HisME724218--11.25833274-
Thr/ProThr-ProME724684--11.36159284-
Thr/SerThr-SerME724634--11.88904184-
Thr/Trp/CysThr-Trp-CysME724389--15.34237202-
Thr/Trp/ProThr-Trp-ProME724425--7.972368927-
trametinib-ME724488--17.02224221-
TriacetinTriacetinME724677--12.60834373-
TriadimenolTriadimenolME724330-C1112715.53714329-
tridecadienoic acidTridecadienoic acidME724317--6.236812517-
triethylene glycol-ME724615--4.257219089-
Trp/AsnTrp-AsnME724354--9.762293617-
Trp/Cys/ArgTrp-Cys-ArgME724426--8.604139414-
Trp/Cys/GlyTrp-Cys-GlyME724369--9.284314818-
TryptophanTryptophanME724245-C00525_C00806_C0007811.61407393-
tunicamine-ME724272--14.35471315-
TyrosineTyrosineME724665-C01536_C00082_C0642012.93450822-
Val/ArgVal-ArgME724275--13.63113819-
Val/AspVal-AspME724685--13.18788493-
Val/GlyVal-GlyME724632--9.019876037-
Val/HisVal-HisME724254--9.243653341-
ValineValineME724580-C00183_C16436_C0641711.32165868-
Val/ProVal-ProME724229--5.710655228-
versicolorin A-ME724384--17.55419371-
Vulgaxanthin-IIVulgaxanthin-IIME724329-C0856915.19512738-
Xestoaminol CXestoaminol CME724348--11.49294423-
Zearalenone 4-sulfate-ME724388--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-ME724852--7.778796526-
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine-ME724862--4.677459963-
1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoseri...-ME724857--4.676090851-
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoseri...-ME724853--4.720070427-
1-[(3-Carboxypropyl)amino]-1-deoxyfructose-ME724719--11.04278466-
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME724793-C104824.025837741-
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid-ME724782--14.98943436-
19-dimethylarsinoyl-nonadecanoic acid-ME724835--21.35222575-
1-deoxy-1-morpholino-D-fructose-ME724718--11.82078282-
1-Methoxyspirobrassinin-ME724741--14.6894079-
1-OleoylglycerophosphoserineLPS 18:1/0:0ME724847--4.266993525-
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME724978-C04322_C0391214.52893482-
1-thio-beta-D-glucose-ME724998--11.611832-
2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME725030-C0632612.27249165-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME725020--13.84714226-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...-ME724727--7.800100806-
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME725021-C0333812.62618581-
2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphe...-ME724843--14.79550699-
2-(4-sulfophenyl)decane-ME724786--3.824165204-
{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-...-ME724836--16.67878573-
2,5-Dioxopentanoate-ME724977-C0043311.64916662-
2-Aceto-2-hydroxybutanoic acid-ME724990-C00659_C0600612.68370221-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...-ME724729--4.487076044-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME725015-C1685011.94402013-
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME724713-C1202712.70206852-
2-C-Methyl-D-erythritol 4-phosphate-ME724970-C1143413.43758075-
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME724983-C0292812.32397117-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME724731-C0458012.76780052-
2-(glutathion-S-yl)-2-methylbut-3-enoate-ME724774--14.89097761-
[2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulf...-ME724757--14.34558126-
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]ami...-ME724744--4.719422855-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME724976-C0059614.71332341-
{2-hydroxy-5-[-3-phenylprop-2-enoyl]phenyl}oxidane...-ME724771--14.99645268-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME724874-C0512310.22201416-
2'-hydroxypyridoxol-ME725023--7.917991306-
2-Ketobutyric acid3-Methyl pyruvic acidME724954-C0010914.74059032-
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME724770--4.214963922-
{[-2-(phenylmethylidene)heptyl]oxy}sulfonic acid-ME724766--11.54470664-
2-phosphono-3-sulfoproprionate-ME724873--15.72439486-
(2R*,3R*)-1,2,3-Butanetriol1,2,3-ButanetriolME724949--4.241616673-
(2S,3R,-2-amino-4-dodecene-1,3-diol-ME724753--4.767701391-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME724991--7.81768582-
3,4-Dehydrothiomorpholine-3-carboxylate-ME724979-C0444514.60101554-
3-Methyleneoxindole3-MethyleneoxindoleME725053-C027965.604528009-
3-O-alpha-L-rhamnopyranosyl-3-hydroxynonanoyl-3-hy...-ME724851--7.834300261-
3-Phospho-D-erythronate-ME724963-C0335611.52782069-
3-Phosphonopyruvate-ME724900-C0279815.47671886-
3-Sulfinoalanine3-Sulfino-alanineME724902-C0060614.12378978-
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME724974-C0033710.68314944-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME724709-C1135512.73070659-
4-Hydroxy-2-oxopentanoateTetramethylammoniumME724982-C035897.825334543-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME724996-C029484.805317869-
4-Hydroxy-L-glutamic acid4-Hydroxy-L-glutamic acidME724984-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-semialdehydeME725042-C0479614.38153038-
4-Pyridoxic acid4-Pyridoxic acidME725039-C008477.814677962-
4-Pyridoxolactone4-PyridoxolactoneME725037-C0097113.75879228-
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME724952-C040518.531921682-
5beta-Cholane-3alpha,24-diol-ME724846--3.881527092-
5'-Hydroxylornoxicam-ME724756--8.786093226-
5-methoxycarbonylmethyluridine-ME724746--7.83976682-
5-ureidoimidazole-4-carboxylate-ME724975-C0551512.93380655-
6,11-dihydroxy-3-methyl-7-(3,4,5-trihydroxyphenyl)...-ME724800--9.10110317-
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxa...-ME724823--15.05377061-
6-Heptenyl glucosinolate-ME724769--14.78194088-
6-Methoxy-3-(2-thiazolyl)-1H-indole-ME724740--15.00217679-
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate-ME724822-C1956214.68028101-
9,10-dibromo-stearic acid9,10-Dibromo-stearic acidME724803--15.91989205-
Acetyl-N-formyl-5-methoxykynurenamineAcetyl-N-formyl-5-methoxykynurenamineME724758-C056424.846627623-
Adenosine diphosphate riboseADP-riboseME724775-C0030114.40713361-
AICARAICARME725046-C0467715.33056833-
A-Ketoglutaric acid oximealpha-Ketoglutaric acid oximeME724980--7.847050296-
Ala/AlaAla-AlaME724994-C0099310.94561662-
Ala/Ala/Asp/Ser-ME724763--14.15735368-
Ala/Ala/TyrAla-Ala-TyrME724773--7.917592545-
Ala/Asp/Asn/Asn/Pro-ME724827--14.9126222-
Ala/Asp/Asp/Phe/Trp-ME724878--28.5490756-
Ala/Asp/Gln/Tyr-ME724833--12.45826057-
Ala/Asp/GlyAla-Asp-GlyME725045--14.72208541-
Ala/Cys/Cys/Cys/Glu-ME724797--13.91515342-
Ala/Cys/Cys/His/Thr-ME724817--14.13197949-
Ala/GluAla-GluME725026--14.70014596-
Ala/Gly/SerAla-Gly-SerME725028--12.50575923-
Ala/Leu/Trp/Ser-ME724840--7.829238383-
Ala/Lys/Lys/Val/Trp-ME724879--11.57569838-
Ala/Phe/Tyr/Tyr-ME724876--14.5230602-
AllantoinAllantoinME724953-C01551_C02348_C0235013.60198441-
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyrano...-ME725016--22.06213757-
alpha-D-Man-(1->3)-[alpha-D-GlcNAc-(1->2)]-a...-ME724882-C0492317.38996776-
Alpha-LactoseLactoseME724750-C06373_C00243_C0076015.22634612-
altro-D-manno-Heptose-ME725019-C0639711.76397612-
aminopyrrolnitrin-ME724724--13.25180134-
ancymidolAncymidolME724772--4.76263016-
AngustineAngustineME724821-C0903211.04282307-
arabino-1,4-lactone 5-phosphate-ME724985--12.16955369-
ArabinonateArabinonic acidME724967-C05411_C00545_C00878_C01685_C05412_C0050213.18293619-
ArabinoseArabinoseME724966-C02479_C02604_C00216_C0025914.18995024-
Arachidic acidArachidic acidME724828-C064253.867625619-
Arg/Leu/Lys/Thr-ME724838--14.94488139-
Arg/Val/Gly/Pro-ME724802--13.81991949-
Asn/Asn/Asp/Pro-ME724792--14.90206832-
Asn/Asp/Asp/Pro-ME724790--14.37056525-
Asn/Cys/CysAsn-Cys-CysME724715--14.3541957-
Asn/Cys/TyrAsn-Cys-TyrME724785--11.48199391-
Asn/Lys/Met/Cys-ME724804--14.75409922-
Asn/SerAsn-SerME725014--13.32528934-
AsparagineAsparagineME724960-C00152_C0190515.14533137-
Aspartic acidAspartic acidME724959-C00402_C0004914.65549999-
Asp/Asp/Lys/Arg/Ser-ME724841--10.63955704-
Asp/Asp/ProAsp-Asp-ProME724762--16.30556667-
Asp/Glu/Ile/Lys/Trp-ME724881--4.819107165-
Asp/Glu/Phe/Met/Arg-ME724867--14.59847417-
Asp/GlyAsp-GlyME724989--16.11000713-
Asp/Ile/Ile/Ile/Ile-ME724864--14.62988546-
Asp/SerAsp-SerME725013--15.29350888-
Avenic acid A-ME724749--15.03466562-
BendiocarbBendiocarbME724726-C144334.595297738-
BergaptolBergaptolME724737-C0075814.98185987-
beta-aspartyl-L-threonine-ME725027--15.15875505-
beta-D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME725004-C00354_C0537815.07930997-
beta-D-galactopyranosyl trimethylammonium bromide-ME725052--13.33905246-
Bis(4-isothiocyanatobutyl) disulfide-ME724711--15.37617286-
Bornesitol-ME725018-C03659_C0366012.42783208-
celesticetin-ME724844--14.62181668-
ChelirubineChelirubineME724829-C0632712.28589535-
Cholesterol sulfateCholesterol sulfateME724861-C180433.750434351-
cis-Aconitic acidcis-Aconitic acidME725007-C0041717.23097621-
ClavulanateClavulanateME725040-C066627.811061213-
CMP-2-aminoethylphosphonateCMPciliatineME724733-C0567315.02401315-
coptisine-ME724809--12.91434544-
Cupreine-ME724814-C065306.390936584-
Cys/Asp/Asp/Glu/Trp-ME724858--14.95878729-
Cys/Asp/Asp/Gly/Asn-ME724791--12.93695246-
Cys/Cys/Glu/Met/Met-ME724834--17.00492737-
Cys/Cys/Ser/Ser/Ser-ME724777--14.35120076-
Cys/Gly/His/Ser/Ser-ME724796--13.9628964-
Cysteic acidCysteic acidME724903-C0050615.05899051-
Cysteinosuccinic acidS-Cysteinosuccinic acidME725011--12.99720475-
deacetylcolchicine-ME724825-C1671214.97197745-
Deoxyribose 5-phosphateDeoxyribose 5-phosphateME724968-C0067314.40386572-
DGCC(40:10)DGCC 40:10ME724964--5.579866184-
Dide-O-methylsimmondsin-ME724767--13.88624084-
Dihydroxyacetone phosphateDihydroxyacetone phosphateME724904-C0011114.96187247-
dithiolgliotoxin-ME724759--13.79151117-
dodecyl sulfateBlasticidin SME724755--3.803439611-
Dulcoside A-ME724890--14.61189616-
erythro-L-galacto-Nonulose-ME725051--16.55284084-
Erythronic acidErythronic acidME724961-C0162012.1333538-
Erythrose 4-phosphateErythrose 4-phosphateME724962-C03109_C0027912.44468417-
FA (18:2)Octadecadienoic acidME724801--3.921173685-
FA (22:5)Docosapentaenoic acidME724837--3.874702906-
FA methyl(16:1)-ME724798--3.963447353-
FA methyl(8:0)-ME725049--4.351837217-
Flunitrazepam-ME724780--12.61019033-
Formylfusarochromanone-ME724784--22.06493553-
FructoseFructoseME724999-C00095_C00795_C0233616.99541785-
Fucose 1-phosphateFucose 1-phosphateME725002-C01099_C0298513.44798528-
Fumaric acidFumaric acidME724951-C0012214.76769058-
GalactinoldihydrateGalactinolME724754--14.02576962-
GalactosylglycerolGalactosylglycerolME725050-C0540114.52175051-
gamma-Glutamylglycinegamma-GlutamylglycineME725012--14.24839839-
Ganglioside GA1 (d18:1/22:0)-ME724987-C06136 _C061367.823180161-
Ganglioside GA1 (d18:1/24:1)-ME724988-C06136 _C061364.801970445-
Garcinia acidGarcinia acidME725009--15.83322851-
Gln/Leu/Lys/Tyr-ME724855--16.05198093-
Gluconic acidGluconic acidME725000-C00257_C00880_C15930_C00800_C00817_C00770_C0051413.95625118-
GluconolactoneGluconolactoneME724992-C02692_C0019811.63154735-
GlucosamineGlucosamineME725001-C00329_C0834916.30136405-
glucosylglycerate-ME725048-C1154414.56127017-
GlucosylsphingosinePsychosineME724848-C031087.798901664-
Glucuronic acidGlucuronic acidME724993-C0019114.08604443-
Glu/Gln/Gln/Arg/Tyr-ME724877--8.877452117-
Glu/Gly/ValGlu-Gly-ValME724748--12.34765215-
Glu/Ile/Ile/Ile/Ile-ME724868--14.32141122-
Glu/Met/ProGlu-Met-ProME724776--11.58606814-
Glu/Ser/ValGlu-Ser-ValME724764--11.11554605-
Glu/ValGlu-ValME724714--11.19860561-
Glyceric acidGlyceric acidME724901-C0025811.42923698-
glycero-L-galacto-Octulose-ME725033--14.78115328-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME725005-C0327414.20891446-
glycerophosphoserinesn-Glycero-3-phosphoserineME725003--14.27817823-
Heptadecanoic acidMargaric acidME724799--3.922623679-
His/His/Lys/Asn/Ser-ME724849--4.271015144-
His/His/Pro/Pro/Gln-ME724859--28.58871982-
His/Lys/Met/Pro/Val-ME724860--10.12409342-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME725008-C0556515.00640059-
Hydrogen phosphatePhosphoric acidME725056-C0000912.56075556-
hydrogen trioxo[3-(1-chromen-1-ylium-2-yl)phenoxy]...-ME724779--12.15175837-
Hydroxyethylpromethazine-ME724815--14.78374358-
HydroxymethylphosphonateHydroxymethylphosphonic acidME725055-C0645514.1491016-
HydroxyphenylacetylglycineHydroxyphenylacetylglycineME724708-C055967.807023391-
Ile/Arg/Val/Val/Tyr-ME724880--13.14531394-
Ile/AsnIle-AsnME724717--8.862699505-
Ile/Gly/ValIle-Gly-ValME724765--7.849777655-
Ile/Ile/Ile/Gln/Val-ME724865--15.16502535-
Ile/Ile/Ile/Ile/Gln-ME724869--14.9702034-
Ile/Ile/Ile/Ile/Met-ME724871--11.5438386-
Ile/Met/Thr/Tyr-ME724845--14.61452026-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME724972-C0513012.21214968-
Imidazoleacetic acidImidazoleacetic acidME724973-C0283514.96419215-
Indoleacrylic acidIndoleacrylic acidME724738--8.799807296-
IndolepyruvateIndolepyruvateME724739-C003318.948229588-
Isradipine-ME724812--13.92592087-
LactosamineLactosamineME724752-C0020314.29299464-
LomustineLomustineME725047-C0707912.30504321-
Longicaudatin-ME724854--11.60774124-
LysoPA(16:0)LPA 16:0ME724820-C00416_C040367.811689092-
LysoPE(18:2)LPE 18:2ME724842--7.811784196-
LysoPE(20:5)LPE 20:5ME724850--4.679512833-
LysoPS(20:4)LPS 20:4ME724856--7.812919653-
Lys/ValLys-ValME724736--13.7705255-
Malic acidMalic acidME724957-C00149_C03668_C0049715.49606569-
Malonic semialdehydeMalonic semialdehydeME724899-C0022211.53406085-
Margaroyl-EAMargaroyl-EAME724819--3.864629886-
Melatonin glucuronide-ME724816--23.90156628-
melibionate-ME724751--12.35105023-
Met/Cys/CysMet-Cys-CysME724734--17.5602394-
MethocarbamolMethocarbamolME724730--7.822224827-
Methylselenopyruvate-ME724955-C1890415.95903186-
Miroestrol-ME724824-C0883114.34926606-
Monomethyl sulfateMethyl sulfateME725054-C0270412.40359722-
N-(1-Deoxy-1-fructosyl)threonine-ME724720--14.31792412-
N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1...-ME724898--7.738409667-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME725032-C0421014.21801799-
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucin...-ME724778--13.84357754-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME725031-C0113312.05976983-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME725035--13.26418685-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME725010-C0104214.17847154-
N-AcetylleucineN-AcetylleucineME725029-C0271011.76414422-
N-Acetylneuraminic acidN-Acetylneuraminic acidME724732-C00270_C1991013.01561558-
Nalpha,Nalpha-Dimethyl-L-histidineN,N-DimethylhistidineME725025-C0425912.31543496-
N-Butyl-beta-carboline-3-carboxylate-ME724781-C138054.816384121-
N-D-GlucosylarylamineN-D-GlucosylarylamineME724747-C031427.801110758-
N-EthylglycocyamineN-EthylglycocyamineME725034-C0285213.32361424-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME725036--11.03759515-
nicotine blue leuco form-ME724725--22.0638544-
NitrendipineNitrendipineME724768-C077134.629748332-
N,N-Dihydroxy-L-tyrosineN,N-Dihydroxy-tyrosineME725041-C1550312.45182012-
N-NonanoylglycineN-NonanoylglycineME724735--7.809836457-
octadecenoic acidOctadecenoic acidME724805--3.911340339-
O-mannopyranosyl-alpha-1,3-[O-mannopyranosyl-alpha...-ME724891--18.72845971-
OrotidineOrotidineME724710-C0110311.8593-
Oxidized Photinus luciferinOxidized Photinus luciferinME724722-C0379712.55626799-
OxmetidineOxmetidineME724813-C1180312.1980747-
Oxopurpureine-ME724830--14.84038463-
PA(32:0)PA 32:0ME724884-C004163.799156481-
PA(34:1)PA 34:1ME724889-C00416_C138893.766568547-
PA(34:2)PA 34:2ME724888-C004163.771345692-
PA(36:1)PA 36:1ME724895--3.758837624-
PA(36:2)PA 36:2ME724893-C004163.747149449-
PA(36:3)PA 36:3ME724892--3.763391938-
PA(38:5)PA 38:5ME724908--3.739727677-
PA(38:6)PA 38:6ME724907--3.746560648-
Palmitic acidPalmitic acidME724788-C002497.746856056-
Palmitoleic acidPalmitoleic acidME724787-C083623.956707248-
PA(O-38:5)PA O-38:5ME724909--3.729486289-
PC(33:2)PC 33:2ME724911-C001574.571283878-
PC(35:5)PC 35:5ME724922-C001573.944496034-
PC(P-36:3)PC P-36:3ME724931-C001577.731610756-
PE-ME725017--8.792116726-
PE(34:1)PE 34:1ME724897-C13877_C003505.565303236-
PE(34:2)PE 34:2ME724894-C003504.021381463-
PE(36:1)PE 36:1ME724913-C003504.002138801-
PE(36:3)PE 36:3ME724910-C003503.99483225-
PE(38:4)PE 38:4ME724924-C003503.950888631-
PE(P-34:1)PE P-34:1ME724896-C003504.696376087-
PE(P-36:1)PE P-36:1ME724912-C003503.995105743-
PE(P-38:4)PE P-38:4ME724923-C003505.399157264-
PE(P-40:4)PE P-40:4ME724936-C003503.948808613-
PE(P-40:6)PE P-40:6ME724933-C003503.908119632-
PE(P-40:7)PE P-40:7ME724932-C003503.908158871-
PG(34:1)PG 34:1ME724906-C138833.705088974-
PG(36:0)PG 36:0ME724921--3.964988975-
PG(36:1)PG 36:1ME724919--3.795363707-
PG(36:2)PG 36:2ME724917--3.686721498-
PG(38:5)PG 38:5ME724929--3.68033654-
PG(40:10)PG 40:10ME724940--7.816264769-
PGP(a-29:0)-ME724885--12.10931644-
Phe/AlaPhe-AlaME724745--7.832114834-
Phe/AspPhe-AspME724760--10.75494145-
Phe/GlyPhe-GlyME724728--7.827710732-
Phe/Gly/Tyr/Tyr-ME724866--14.61057229-
PhenolsulfonphthaleinPhenolsulfonphthaleinME724810-C126007.795346279-
Phe/Phe/Phe/Pro/Thr-ME724886--14.61114382-
Phe/Phe/Pro/Val/Tyr-ME724887--14.53553456-
Phe/ThrPhe-ThrME724761--7.837548293-
PHODiA-PE-ME724870--4.012871769-
Phosphoramidate-ME725057-C0230627.84862565-
PhytuberinPhytuberinME724794-C097094.060245658-
PI(34:2)PI 34:2ME724925-C006263.769841935-
PI(36:1)PI 36:1ME724938--3.791295968-
PI(36:2)PI 36:2ME724937-C006263.783281708-
PI(36:4)PI 36:4ME724934-C006263.776106988-
PI(38:4)PI 38:4ME724945-C006263.767027779-
PI(38:5)PI 38:5ME724944-C006263.764445692-
PI(O-34:0)PI O-34:0ME724926--14.96977458-
PIP(38:4)PI P-38:4ME724946-C006267.830447397-
prebassianin A-ME724839--10.69419657-
ProteacinProteacinME724826-C0833914.17747937-
PS(34:1)PS 34:1ME724905-C138803.789002691-
PS(36:1)PS 36:1ME724918-C027373.78400151-
PS(36:2)PS 36:2ME724916--3.774847622-
PS(36:3)PS 36:3ME724915--3.774869357-
PS(36:4)PS 36:4ME724914--3.776584145-
PS(38:4)PS 38:4ME724930-C027373.758610201-
PS(38:5)PS 38:5ME724928--3.755180371-
PS(38:6)PS 38:6ME724927--3.758915579-
PS(39:4)PS 39:4ME724935--3.749336009-
PS(40:4)PS 40:4ME724943--3.756413175-
PS(40:5)PS 40:5ME724942-C027373.74969021-
PS(40:8)PS 40:8ME724941--3.756455641-
PseudouridinePseudouridineME725043-C0206716.51933787-
PS(O-36:1)PS O-36:1ME724920--5.396487306-
PS(O-42:6)PS O-42:6ME724948--4.008903282-
Pyridoxine 5'-phosphatePyridoxine 5'-phosphateME725024-C0062713.48203712-
Pyrimidine 5'-deoxynucleotide-ME725044-C0824914.71137152-
Pyrogallol-2-O-glucuronide-ME724742--15.05672086-
QuinalphosQuinalphosME724743-C110304.104281649-
RhamnoseRhamnoseME724997-C00507_C02338_C02476_C0252211.34151011-
Ribitol 5-phosphate-ME724971-C02895_C01068_C02883_C0350915.33274338-
Ribose 5-phosphateRibose 5-phosphateME724969-C03736_C0011715.19444096-
Sambutoxin-ME724863--4.775718828-
selenium dioxide-ME725058--12.51660374-
Ser/Ser/Tyr/Tyr/Tyr-ME724883--14.62597851-
SM(d40:1(OH))-ME724939-C005507.612795422-
SM(d42:1(OH))-ME724947-C005504.464380185-
Sphinganine 1-phosphateSphinganine 1-phosphateME724808-C011207.829331486-
Sphingosine 1-phosphateSphingosine 1-phosphateME724807-C061244.833965884-
Stearic acidStearic acidME724806-C015303.900071514-
Succinic acidSuccinic acidME724956-C0004214.66348457-
SulfoacetateSulfoacetic acidME724872-C1417915.46815867-
sulfoglutathione-ME724712--18.41208867-
Tartaric acidTartaric acidME724958-C00552_C00898_C0210716.93044442-
TaurineTaurineME724875-C0024514.7244617-
Tetrahydrodipicolinate-ME725022-C039727.820636815-
TetrahydropalmatineTetrahydropalmatineME724831-C0289011.23177667-
Thiolutin-ME725038--13.13466757-
Thioridazine-ME724832--4.786258443-
Thr/GlyThr-GlyME724995--11.52539248-
TiotropiumTiotropiumME724811--4.030644379-
Triazolam-ME724789--15.82099684-
Trihexosylceramide (d18:1/16:0)Hex3Cer 18:1;O2/16:0ME724965-C047377.853337596-
Trihexosylceramide (d18:1/24:1)Hex3Cer 18:1;O2/24:1ME724986-C047377.857713767-
Trp/ProTrp-ProME724783--8.361438075-
Tuberculostearic acidTuberculostearic acidME724818-C167943.894181164-
UracilUracilME724950-C0010611.86768744-
Ureidosuccinic acidN-Carbamoylaspartic acidME724981-C0043816.20061907-
Uridine diphosphate-N-acetylgalactosamineUDP-N-acetylgalactosamineME724795-C00203_C0117014.68167528-
Urocanic acidUrocanic acidME725006-C0078512.28522097-
Val/ValVal-ValME724721--7.80893037-
xanthurenic acid 8-O-sulfate-ME724723--12.14775566-
XylobioseXylobioseME724716-C0163013.73042742-


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