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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-Formyldihydrofolate-ME299538--14.258834-
10-FormyltetrahydrofolateN10-Formyl-THFME299541--13.98065613-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME299597--3.775745402-
1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octa...-ME299594--3.721935028-
1-18:2-2-18:2-monogalactosyldiacylglycerol-ME299661--4.136639783-
1-18:2-lysophosphatidylethanolamine-ME299554--5.01025857-
1-4-beta-D-Glucan1,4-beta-D-GlucanME299579--3.872157872-
1-deoxyxylonojirimycin-ME299175--14.00478055-
1-(O-alpha-D-glucopyranosyl)-(3R,29S,31R)-dotriaco...-ME299612--4.474853215-
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...-ME299664--4.807106318-
1-O-Hexadecyl-sn-glycerolMG O-16:0ME299451--4.219369222-
1-O-Octadec-9-enyl glycerol-ME299474--4.153752723-
1-O-Octadecyl-sn-glycerolMG O-18:0ME299475--4.162837595-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME299393--9.851345663-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME299149--13.14323534-
2,3-DimethylmaleateDimethyl maleateME299189--13.52034364-
2,6-Dihydroxypseudooxynicotine2,6-DihydroxypseudooxynicotineME299335--7.202669657-
2-acetamidoglucal-ME299325--11.82160844-
2-Acetolactate2-AcetolactateME299165--14.66022206-
2-(alpha-D-Mannosyl)-3-phosphoglycerate-ME299478--14.84746817-
2-(alpha-Hydroxyethyl)thiamine diphosphate-ME299537--13.80860521-
2-chlorohexadecanol2-ChlorohexadecanolME299418--7.184738183-
2-C-Methyl-D-erythritol 4-phosphate-ME299343--13.80118146-
2-HexenoylcarnitineCAR 6:1ME299391--5.288803843-
2-Hydroxy-2,4-pentadienoate-ME299125--14.25013932-
2-hydroxy-4-methylthiobutanoate2-Hydroxy-4-(methylthio)butanoic acidME299212--7.193270987-
2-Hydroxyadenine2-HydroxyadenineME299216--16.42432518-
2-Hydroxybutanoic acid2S-Hydroxybutyric acidME299110--9.695312288-
2-Hydroxyethylphosphonate2-Hydroxyethylphosphonic acidME299147--14.44172383-
2-Methylaminoadenosine-ME299430--20.15502258-
2-(Methylthio)ethanesulfonate-ME299227--8.621525285-
2-Octenedioicacid2-Octenedioic acidME299268--7.20682762-
2-oxobut-3-enanoate-ME299094--7.162231017-
2-Oxobutanoate3-Methyl pyruvic acidME299098--14.63133814-
2-Oxoglutaramate2-Keto-glutaramic acidME299192--10.50003426-
2-OxoglutarateOxoglutaric acidME299196--15.16443537-
2-Oxopentanoic acid-ME299131--5.407441518-
(2R,4S)-2,4-Diaminopentanoate-ME299172--15.82766606-
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME299350--4.310548615-
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME299256--5.31791186-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME299289--8.810469222-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME299283--7.714891672-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME299310--4.25613148-
3',5'-Cyclic AMP3',5' cyclic AMPME299463--9.466774797-
3,6,8-Trimethylallantoin-ME299318--13.16348506-
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME299387--13.40558816-
3-Butynoate3-Butynoic acidME299082--13.46487244-
3-Cyano-L-alanineDihydrouracilME299128--27.94194757-
3-Dehydroquinate3-DehydroquinateME299306--10.68933567-
3-deoxy-D-galactose3-DeoxygalactoseME299257--11.28996396-
3-Deoxy-D-manno-octulosonate 8-phosphate-ME299454--15.14255612-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME299132--6.017468215-
3-Methylbutanoic acidIsovaleric acidME299101--7.162735942-
3-Methylguanine3-MethylguanineME299248--12.63204658-
3-nitro-2-butanol-ME299139--7.358605938-
3-nitro-2-pentanol-ME299174--7.198538105-
3-Oxododecanoic acid3-Oxododecanoic acidME299339--4.252712495-
3-Phospho-D-glycerate3-Phosphoglyceric acidME299293--16.54909012-
3-Propylmalate3-PropylmalateME299278--9.204317235-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME299226--15.93429354-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME299363--13.17238761-
4,8,12-Trimethyltridecanoyl-CoA-ME299717--7.551417713-
4-Acetamidobutanoate4-Acetamidobutanoic acidME299194--9.108667915-
4-amino-4-deoxy-L-arabinose-ME299211--15.56808491-
4-Aminobutanal4-AminobutyraldehydeME299083--10.49723255-
4-Hydroxy-2-oxopentanoateTetramethylammoniumME299166--7.195768328-
4-Hydroxy-4-methylglutamate-ME299279--12.98882407-
4-Hydroxybutanoic acid4-Hydroxybutyric acidME299111--8.036973143-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME299133--5.23077207-
4-Hydroxyphenylacetylglutamic acid4-HydroxyphenylacetylglutamineME299421--14.32240773-
4-Hydroxyphenylglyoxylate-ME299252--13.8794187-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME299229--10.9894313-
4-Methyl-L-glutamate4-Methyl-glutamateME299242--11.05788528-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME299188--10.79384291-
4-Trimethylammoniobutanal-ME299155--28.4124135-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME299195--13.35745627-
5,6-DihydrothymineDihydrothymineME299150--14.72538177-
5,6-DihydrouracilDihydrouracilME299127--8.278605553-
5-6-Dihydrouridine-ME299379--10.05598554-
5-Guanidino-2-oxopentanoate2-OxoarginineME299271--14.12180816-
5-Hydroxyindolepyruvate5-HydroxyindolepyruvateME299347--9.960831818-
5-Hydroxypentanoate5-Hydroxyvaleric acidME299137--7.208096125-
5'-methylthioformycin-ME299431--7.214831138-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME299296--7.208953653-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cycli...-ME299503--17.39428908-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME299193--13.13613489-
6-Phospho-D-gluconate6-Phosphogluconic acidME299416--17.25995788-
7,8-diketopelargonate-ME299294--5.29848135-
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME299354--4.14106141-
9-Oxononanoic acid9-Oxo-nonanoic acidME299269--5.045825605-
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME299436--9.349374327-
AcetoacetateAcetoacetic acidME299099--13.31181971-
Acetyl-CoAAcetyl-CoAME299670--12.17352055-
Acetyl phosphateAcetylphosphateME299185--15.32875259-
a Cysteine adduct-ME299311--14.66404746-
AdenineAdenineME299179--9.64252633-
AdenosineAdenosineME299408--9.163426365-
ADPADPME299510--14.81284257-
aeruginosin A-ME299385--23.56545748-
AjmalineAjmalineME299461--10.51302142-
Ala-Asp-GlyAla-Asp-GlyME299400--14.44397538-
Ala-Leu-Asn-Gln-ME299520--16.65526114-
Ala-Leu-Lys-Val-ME299513--10.93507822-
Ala-Leu-Met-Val-ME299515--9.303110968-
Ala-Leu-Phe-Phe-ME299558--7.164300672-
Ala-Leu-Phe-Tyr-ME299571--7.182280587-
Ala-Met-Asp-Tyr-ME299560--10.70088401-
Ala-Phe-Val-Tyr-ME299561--7.181059022-
AllantoateAllantoic acidME299277--14.72846365-
AllantoinAllantoinME299232--13.60856679-
allopurinolAllopurinolME299181--8.808720253-
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME299395--15.15232894-
alpha-Ironealpha-IroneME299332--4.244010187-
AMPAMPME299476--13.57907515-
Anthranilate2-Aminobenzoic acidME299183--11.74334427-
Arg-Lys-Pro-His-ME299580--28.63254783-
Arg-OEtEthyl arginateME299323--21.11881798-
Arg-Phe-Phe-Arg-ME299602--14.72636748-
Arg-Thr-Thr-Asp-ME299553--16.86740107-
Asn-Gln-Tyr-Tyr-ME299593--14.9598505-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME299509--16.78032653-
Asp-Lys-Lys-Tyr-ME299587--28.6685309-
Asp-Met-Phe-Ser-ME299559--10.22387332-
ATPATPME299566--15.93865901-
Bakkenolide ABakkenolide AME299364--4.245321762-
Bathocuproine disulfonic acid-ME299399--5.294208672-
BergaptolBergaptolME299322--15.04618586-
beta-D-DigitalopyranoseDigitaloseME299281--8.749063888-
BetaineBetaineME299134--11.31512912-
Betaine aldehydeBetaine aldehydeME299097--28.15747227-
Butanoylphosphate-ME299259--14.44358828-
CAPS-ME299352--9.209053727-
CarnosineCarnosineME299356--15.61187259-
CDPCDPME299502--16.62617264-
CDP-cholineCytidine 5'-diphosphocholineME299551--15.19990834-
CDP-ethanolamineCDP-EthanolamineME299521--16.14209046-
Cephamycin CCephamycin CME299522--10.84682285-
Cer(d33:1)Cer 33:1;O2ME299577--3.908043717-
Cer(d35:1)Cer 35:1;O2ME299586--3.895145753-
CHAPSCHAPSME299601--9.167917125-
ChenodeoxyglycocholateGlycochenodeoxycholic acidME299523--5.005160703-
CholesterolsulfateCholesterol sulfateME299533--3.72296921-
CholineCholineME299108--19.65428243-
Choline phosphateCholine phosphateME299292--14.85907135-
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophenecis-1,2-dihydroxy-1,2-dihydrodibenzothiopheneME299346--13.77540339-
cis-2-hydroxypenta-2,4-dienoate-ME299126--11.07242876-
cis-Acetylacrylate-ME299123--14.68734058-
CitrateCitric acidME299313--17.6158951-
CMPCMPME299457--15.6075369-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME299539--14.25041664-
CoACoenzyme AME299649--13.3742646-
CorydalineCorydalineME299492--10.78339444-
CreatineCreatineME299162--14.56701279-
CreatinineCreatinineME299122--9.75453348-
CTPCTPME299547--17.68419908-
CumeneIsopropylbenzeneME299140--4.257192-
Cys-Leu-Cys-Tyr-ME299563--10.62636381-
Cys-Lys-Cys-Cys-ME299526--14.44097806-
Cys-Met-Phe-Thr-ME299562--10.29191736-
Cys-SerCys-SerME299333--16.41421102-
CysteineMercaptoethanol disulfide-ME299315--11.4551823-
CytidineCytidineME299374--11.88616315-
Cytidine 2'-phosphate-ME299458--16.131333-
dADPdADPME299507--14.00896516-
dAMPdAMPME299465--12.7107253-
D-ArabitolArabitolME299219--12.93861767-
dATPdATPME299552--15.15875411-
dCDPdCDPME299497--15.76532931-
dCDP-ethanolamine-ME299514--15.13369409-
dCMPdCMPME299441--14.68447423-
dCTPdCTPME299534--16.83470447-
D-CysteineD-CysteineME299142--13.52510339-
deacetylcolchicine-ME299485--15.02392975-
DeoxycytidineDeoxycytidineME299357--10.96176956-
DeoxymannojirimycinDeoxymannojirimycinME299244--15.77561699-
Deoxyribose2-Deoxy-riboseME299177--8.824332428-
D-Erythrose 4-phosphateErythrose 4-phosphateME299317--12.63543874-
D-FructoseFructoseME299284--14.62145555-
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME299472--17.646267-
D-Fructose 6-phosphateFructose 6-phosphateME299397--16.00481997-
dGDPdGDPME299511--15.86614154-
D-Gluconic acidGluconic acidME299314--13.77879981-
D-Glucono-1,5-lactoneGluconolactoneME299280--13.78268278-
D-Glucono-1,5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME299392--17.2649796-
D-GlucoseGlucoseME299285--14.27234936-
D-Glucose 6-phosphateGlucose 6-phosphateME299398--16.53194766-
D-GlucuronolactoneGlucuronolactoneME299276--14.83608034-
D-GlutamateD-Glutamic acidME299203--11.01020831-
D-GlycerateGlyceric acidME299113--11.72377191-
dGMPdGMPME299477--14.78436839-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...-ME299235--5.32569199-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME299366--10.45312052-
Dihydrogenphosphate-ME299092--14.88169084-
di-n-Undecylamine-ME299460--7.215727837-
DL-Methionine sulfone-ME299287--11.74759332-
D-LysineD-LysineME299202--18.80540585-
D-MethionineMethionineME299210--16.34063257-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME299371--16.69859437-
DocosahexaenoicacidDocosahexaenoic acidME299462--3.887888263-
Docosanoic acidBehenic acidME299473--3.847463263-
Dodecanoic acidLauric acidME299319--4.140482713-
D-RiboseRiboseME299213--14.30496743-
D-Ribose 5-phosphateRibose 5-phosphateME299361--15.31566108-
D-Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME299493--17.8802466-
D-Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME299428--15.97283507-
dTDPdTDPME299501--14.2476403-
dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mann...-ME299595--15.90379255-
dTMPdTMPME299456--12.81040442-
dTTPdTTPME299546--15.49364781-
dUMPdUMPME299443--13.569159-
D-XylonateXylonic acidME299254--13.35085592-
D-XylonolactoneD-Xylono-1,5-lactoneME299208--14.85041836-
D-XyloseXyloseME299214--16.54852975-
(E)-3,7-Dimethylocta-1,6-diene-3,8-diol-ME299265--4.291607103-
EpinephrinesulfateEpinephrine sulfateME299401--13.03366023-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME299415--15.23332545-
ErythritolErythritolME299144--11.76672827-
Ethanolamine phosphatePhosphoethanolamineME299186--15.81214709-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME299200--5.00103457-
Ethyl (R)-3-hydroxybutanoate-ME299169--5.325979487-
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME299237--7.177508017-
FA (13:2) tridecadienoic acidTridecadienoic acidME299336--4.106557753-
FA (14:2) tetradecadienal-ME299334--4.269017627-
FA(16:1)Palmitoleic acidME299388--3.994127317-
FA (16:2)Hexadecadienoic acidME299384--4.25201715-
FA (17:0)Margaric acidME299412--3.952092123-
[FA (17:1)] 7-heptadecynoic acid-ME299406--3.986463118-
[FA (18:1)] 9Z-octadecenamideOleamideME299422--4.240061612-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME299423--3.939427315-
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acidgamma-Linolenic acidME299419--3.966879157-
FA (20:0)Arachidic acidME299447--3.884312653-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME299446--3.89697114-
FA (22:0)Behenic acidME299450--4.194018303-
[FA (22:1)] 13Z-docosenoic acidcis-Erucic acidME299471--3.862416823-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME299466--3.881952708-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME299464--3.89147976-
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME299489--3.828222723-
[FA (6:0)] hexanalCaproaldehydeME299096--4.301035817-
[FA (7:0/2:0)] Heptanedioic acidPimelic acidME299236--7.09891479-
FA (8:0) octanoic acidCaprylic acidME299191--4.583521747-
FA (8:1) octenal-ME299148--4.268533798-
[FA amino(4:0)] 2R-amino-butanoic acid2R-Aminobutyric acidME299104--11.43166254-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME299369--4.030973473-
FA dimethyl(20:3)-ME299468--3.881740148-
FagomineFagomineME299205--13.57024985-
FA hydroxy(10:0)-ME299301--4.752257272-
FA hydroxy(18:0)-ME299435--4.038597528-
FA hydroxy(18:1)]-ME299449--4.208336287-
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine...-ME299295--6.572409128-
FA hydroxy(6:0)-ME299170--6.481686247-
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME299238--5.08749412-
FA methyl(12:0) dodecanoic acidLauric acidME299340--4.09638811-
FA methyl(14:0)-ME299373--4.012710807-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME299394--4.204460507-
FA methyl(16:1)-ME299409--3.969806017-
FA methyl(18:0)-ME299433--3.903492122-
FA methyl(6:0)-ME299159--4.892116188-
FA methyl(8:0)-ME299234--4.366641525-
FA oxo(16:0)-ME299411--4.076845065-
FA oxo(18:0)-ME299432--3.995731952-
[FA oxo(5:0)] 3-oxo-4-pentenoic acid3-Oxo-4-pentenoic acidME299124--13.43715171-
[FA oxo(6:0)] 2-oxo-hexanoic acid2-Ketocaproic acidME299158--5.018701837-
FA oxo(7:0)-ME299190--7.211650773-
FA oxo(8:0) oxo-octanoic acid-ME299233--5.296934433-
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic a...2-Oxo-4-methylthiobutanoic acidME299207--5.312596795-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME299180--12.20395325-
[FA trihydroxy(6:0)] 3,4,5-trihydroxy-hexanoic aci...-ME299247--8.365660583-
FMNFMNME299527--11.48664032-
FolateFolic acidME299518--16.28920986-
Furfural2-FurancarboxaldehydeME299091--15.52104398-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME299383--13.91850479-
GDPGDPME299519--17.46324378-
GDP-mannoseGDP-mannoseME299598--17.79351005-
Gln-Leu-Lys-Tyr-ME299585--15.68160581-
Gln-Met-Met-Thr-ME299568--14.92365209-
GlucosylgalactosylhydroxylysineGlucosylgalactosyl hydroxylysineME299550--7.184007297-
Glu-GluGlu-GluME299417--16.47585306-
Glu-Glu-GluGlu-Glu-GluME299505--17.63391322-
Glu-Glu-Glu-Glu-ME299578--14.9654913-
Glu-Ser-ThrGlu-Ser-ThrME299469--14.55824464-
GlutathioneGlutathioneME299442--14.04839367-
Glutathione disulfideOxidized glutathioneME299600--17.12550182-
GlycerolGlycerolME299090--10.35640791-
Glycerone phosphateDihydroxyacetone phosphateME299264--15.08260074-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME299378--12.56691855-
GMPGMPME299487--16.4166256-
GTPGTPME299575--18.55299997-
GuanineGuanineME299217--12.29176535-
GuanosineGuanosineME299424--12.59240388-
HEPES-ME299365--10.45157608-
HexadecanalPalmitaldehydeME299370--4.180079423-
Hexadecanoic acidPalmitic acidME299389--3.977374228-
HomoarginineHomoarginineME299300--23.83289625-
Homostachydrine(S)-HomostachydrineME299230--10.02134519-
HydantoinHydantoinME299095--27.97965433-
Hydantoin-5-propionateHydantoin-5-propionic acidME299267--8.862704685-
Hydroxyacetone phosphateHydroxyacetone phosphateME299221--14.44020201-
HydroxymethylphosphonateHydroxymethylphosphonic acidME299118--10.87130538-
HypotaurineHypotaurineME299115--14.92254437-
HypoxanthineHypoxanthineME299182--10.18892986-
Icosadienoic acid11Z,14Z-Eicosadienoic acidME299444--3.90424067-
Icosatrienoic acidETrE(11Z,14Z,17Z)ME299440--3.90980952-
Ile-LysIle-LysME299396--13.54905205-
Ile-Phe-Pro-Pro-ME299540--7.16981206-
Ile-Ser-ValIle-Ser-ValME299453--7.16324997-
Imidazol-5-yl-pyruvate-ME299223--10.18058449-
IMPIMPME299479--15.19557926-
IndolelactateIndolelactic acidME299331--7.68583591-
IndolepyruvateIndolepyruvateME299324--7.192810532-
Kievitone hydrateKievitone hydrateME299494--10.21996813-
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME299151--10.16690389-
L-2-Amino-6-oxoheptanedioate-ME299304--9.567380633-
L-2-AminoadipateAminoadipic acidME299240--14.70017007-
L-3-Amino-isobutanoatebeta-Aminoisobutyric acidME299105--13.16764893-
Lacto-N-tetraoseLacto-N-tetraoseME299621--16.58709593-
L-AlanineAlanineME299085--14.70515877-
L-ArginineArginineME299273--23.58089662-
L-Arginine phosphate-ME299386--17.39498615-
L-AsparagineAsparagineME299168--15.17840183-
L-AspartateAspartic acidME299173--14.77396637-
L-CarnitineCarnitineME299243--13.2898916-
L-CitrullineCitrullineME299275--15.82134968-
L-CystathionineCystathionineME299353--16.94842513-
L-CysteineCysteineME299141--16.1735432-
L-CystineCystineME299367--16.08995238-
L-Fuculose 1-phosphateL-Fuculose 1-phosphateME299376--13.39356073-
L-GlutamateGlutamic acidME299204--14.49685235-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME299161--14.32272285-
L-GlutamineGlutamineME299199--14.96491421-
L-GlycericacidGlyceric acidME299114--16.5675688-
L-HistidineHistidineME299225--14.61986114-
L-HomocitrullineHomocitrullineME299305--15.11238213-
LinoleateLinoleic acidME299420--3.950973907-
L-IsoleucineIsoleucineME299163--11.27211557-
L-LeucineLeucineME299164--10.93577362-
L-LysineLysineME299201--22.65415743-
L-Lyxonate-ME299253--12.49710017-
L-MethionineMethionineME299209--11.52198971-
L-OrnithineOrnithineME299171--21.92378242-
L-PhenylalaninePhenylalanineME299249--10.1774983-
L-PipecolatePipecolic acidME299154--12.40912333-
L-ProlineProlineME299129--12.77458565-
L-SerineSerineME299112--15.68468165-
L-ThreonineThreonineME299138--14.37219786-
L-TryptophanTryptophanME299328--11.57907333-
L-TyrosineTyrosineME299288--12.93771976-
L-ValineValineME299135--12.44505883-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...LPC 14:0ME299535--5.087925683-
LysoPC(16:0)LPC 16:0ME299557--4.947444233-
LysoPC(16:1(9Z))LPC 16:1(9Z)*ME299555--4.974548475-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME299545--4.992258858-
LysoPC(18:0)LPC 18:0ME299576--4.777662945-
LysoPC(18:1)LPC 18:1ME299574--4.83132126-
LysoPC(20:2)LPC 20:2ME299584--4.701631238-
LysoPC(20:3)LPC 20:3ME299583--4.747932117-
LysoPC(22:4(7Z,10Z,13Z,16Z))LPC 22:4(7Z,10Z,13Z,16Z)ME299592--4.629663433-
LysoPC(22:5)LPC 22:5ME299591--4.655196748-
LysoPC(O-16:1)LPC P-16:0 or LPC O-16:1ME299543--4.833549645-
LysoPC(O-18:2)LPC P-18:1 or LPC O-18:2ME299570--4.852076368-
LysoPE(16:0)LPE 16:0ME299525--4.966597093-
LysoPE(16:1)LPE 16:1ME299524--5.015053962-
LysoPE(18:0)LPE(18:0)ME299544--4.959277038-
LysoPE(18:1)LPE 18:1ME299532--4.699368003-
LysoPE(18:2)LPE(18:2)ME299542--4.877779138-
LysoPE(20:0)LPE 20:0ME299569--4.881393043-
LysoPE(20:1)LPE 20:1ME299567--4.898913792-
LysoPE(20:2)LPE 20:2ME299565--4.939988178-
LysoPE(22:0)LPE 22:0ME299581--4.725004717-
Lys-Ser-TyrLys-Ser-TyrME299499--15.70646011-
MannitolMannitolME299291--13.86869415-
Margaroyl-EAMargaroyl-EAME299448--3.845983322-
meso-2,6-Diaminoheptanedioate-ME299309--13.68786725-
Met-AlaMet-AlaME299349--10.4629462-
MethylcysteineMethylcysteineME299178--11.89224707-
methylmethanesulfonateMethyl methanesulfonateME299116--6.979349527-
methylphoracetophenone-ME299290--27.8793641-
methylphosphateMethanolphosphateME299117--14.26250167-
Met-Met-ProMet-Met-ProME299495--14.31243962-
monomethyl proline-ME299152--7.193364193-
myo-InositolMyo-inositolME299286--16.93025292-
N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME299481--4.15914818-
N-(11Z-eicosaenoyl)-ethanolamine11Z-Eicosaenoyl-EAME299483--4.202594197-
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy...-ME299512--7.416261773-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME299326--14.75199271-
N2-Acetyl-L-aminoadipate semialdehyde-ME299297--6.16802073-
N2-(D-1-Carboxyethyl)-L-arginineOctopineME299380--16.95030782-
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradeca...GlcCer 14:1;O2(4E)/22:0;OME299638--4.12249982-
N4-AcetylaminobutanalN4-AcetylaminobutanalME299153--11.18790552-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME299470--15.8450366-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME299308--11.47041073-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME299329--14.18050376-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME299531--17.82908165-
N6-Acetyl-L-lysineN6-AcetyllysineME299299--12.87779538-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME299330--16.50022023-
N6-Methyl-L-lysineN(6)-MethyllysineME299239--22.08338095-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME299302--21.4026717-
N-AcetylanthranilateMethyl n-acetylanthranilateME299282--7.189082492-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME299351--11.80674154-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME299355--13.28287889-
N-AcetylglutamineN-AcetylglutamineME299298--10.54131709-
N-Acetyl-L-citrullineN-AcetylcitrullineME299344--12.29866634-
N-Acetyl-L-glutamateN-Acetylglutamic acidME299303--13.8309039-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME299270--7.231006637-
N-Acetyl-L-histidineN-AcetylhistidineME299316--8.910976083-
N-AcetylmethionineN-AcetylmethionineME299312--7.188532475-
N-AcetylneuraminateN-Acetylneuraminic acidME299445--13.19208381-
N-AcetylornithineN-AcetylornithineME299272--13.48882806-
N-AcetylputrescineN-AcetylputrescineME299160--18.6445385-
NAD+NAD+ME299607--14.06166361-
NADHNADHME299608--13.15339169-
NADP+NADP+ME299636--16.46282311-
NADPHNADPHME299639--16.72651868-
Nalpha-MethylhistidineN-MethylhistidineME299262--12.42004728-
N-Carbamyl-L-glutamateCarglumic acidME299307--16.24158351-
N-DecanoylglycineN-DecanoylglycineME299359--5.128075102-
N-dimethylethanolamine-ME299086--16.79823785-
N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inosi...-ME299694--27.16315967-
N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoet...-ME299605--5.060444595-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME299274--21.05904753-
N-Glycolyl-D-mannosamine 6-phosphate-ME299452--16.69994167-
N-hydroxyisoleucineN-hydroxyisoleucineME299206--12.22767281-
N-methylalanineN-MethylalanineME299107--13.75147196-
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME299224--14.80053217-
N,N-DimethylglycineDimethylglycineME299102--14.39266388-
N-NonanoylglycineN-NonanoylglycineME299342--5.287848915-
N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoe...-ME299606--4.449538417-
nonulose 9-phosphate-ME299480--16.54093536-
NorepinephrinesulfateNorepinephrine sulfateME299382--18.419602-
N(pi)-Methyl-L-histidine3-MethylhistidineME299263--12.86409471-
N-Succinyl-L-glutamateN2-SuccinylglutamateME299381--16.08945847-
N-UndecanoylglycineN-UndecanoylglycineME299375--4.909486097-
O-AcetylcarnitineCAR 2:0ME299327--11.08342642-
O-Acetyl-L-homoserineO-Acetyl-homoserineME299241--9.408312357-
O-ButanoylcarnitineCAR 4:0ME299362--8.9142179-
OctadecanalStearaldehydeME299410--4.118789958-
Octadecanoic acidStearic acidME299425--3.922533792-
Octadecanoyl-CoAStearoyl-CoAME299718--5.328745418-
octulose 8-phosphateOctulose 8-phosphateME299455--16.43329921-
OctylamineOctylamineME299156--7.333148155-
O-PropanoylcarnitineCAR 3:0ME299345--9.87757932-
OrotateOrotic acidME299228--9.953955682-
Orotate(Fragment)Orotic acidME299119--9.857734615-
OrthophosphatePhosphoric acidME299093--15.66658776-
Ovothiol A-ME299321--15.3486187-
OxalateOxalic acidME299087--17.27273927-
Oxycarboxin-ME299407--11.71800498-
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosp...LPA 16:0ME299506--4.788059178-
PA(18:2(9Z,12Z)/0:0)PA 18:2(9Z,12Z)/0:0*ME299516--4.888850688-
PA(34:1)PA 34:1ME299610--3.789319915-
PA(34:2)PA 34:2ME299609--3.79048369-
PA(36:2)PA 36:2ME299618--3.768708685-
PA(36:3)PA 36:3ME299616--3.786987077-
PA(36:4)PA 36:4ME299615--3.777185033-
PA(38:4)PA 38:4ME299626--3.757198128-
PA(38:5)PA 38:5ME299625--3.757883677-
PA(38:6)PA 38:6ME299624--3.756709878-
Palmitoyl-CoAPalmitoyl-CoAME299564--5.331801042-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME299403--13.97611363-
PantothenatePantothenic acidME299348--8.706888628-
[PC(18:1/22:6)] 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,...-ME299687--4.524451187-
PC(18:2)PC 18:2ME299573--4.871053492-
[PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3...LPC 18:2ME299572--6.861506115-
[PC(18:2/22:6)] 1-(9Z,12Z-octadecadienoyl)-2-(4Z,7...-ME299685--4.454470238-
[PC(22:6)]LPC 22:6ME299590--4.68511598-
PC(34:2)PC 34:2ME299643--4.128254933-
PC(36:2)PC 36:2ME299657--4.100003532-
PC(38:4)PC 38:4ME299671--4.053873917-
PC(38:5)PC 38:5ME299668--4.066498605-
PC(38:6)PC 38:6ME299665--4.066895365-
PC(40:4)PC 40:4ME299695--4.019809772-
PC(40:5)PC 40:5ME299691--4.024806297-
PC(40:6)PC 40:6ME299688--4.030230562-
PC(40:7)PC 40:7ME299686--4.029721188-
PC(40:8)PC 40:8ME299684--4.03997165-
PC(40:9)PC 40:9ME299683--4.048825852-
PC(42:10)PC 42:10ME299700--4.000381988-
PC(42:8)PC 42:8ME299701--3.998988447-
PC(44:8)PC 44:8ME299707--3.980647637-
PC(44:9)PC 44:9ME299706--3.966315995-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine-ME299434--11.07906295-
PC(O-36:3)PC P-36:2 or PC O-36:3ME299651--5.177104768-
PC(P-36:2)PC P-36:2 or PC O-36:3ME299652--4.079540802-
PC(P-38:3)PC P-38:3 or PC O-38:4ME299663--4.052851535-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPE P-16:0 or LPE O-16:1ME299517--4.89029118-
PE(32:1)PE 32:1ME299614--3.781715645-
PE(36:2)PE 36:2ME299637--3.995149653-
PE(36:3)PE 36:3ME299635--3.743784173-
PE(36:4)PE 36:4ME299634--3.99786445-
PE(36:5)PE 36:5ME299633--3.748153063-
PE(37:2)PE 37:2ME299642--4.679215863-
PE(38:4)PE 38:4ME299650--3.939886405-
PE(38:5)PE 38:5ME299648--3.945310198-
PE(38:6)PE 38:6ME299647--3.960770412-
PE(39:2)PE 39:2ME299656--6.910255785-
PE(40:4)PE 40:4ME299662--4.062240655-
PE(40:6)PE 40:6ME299659--3.92722211-
PE(41:5)PE 41:5ME299669--4.510391578-
PE(41:6)PE 41:6ME299666--4.429602182-
PE(42:4)PE 42:4ME299680--4.040556973-
PE(42:5)PE 42:5ME299679--4.033429422-
PE(42:6)PE 42:6ME299677--4.041278235-
PE(42:7)PE 42:7ME299675--4.061007143-
PE(43:4)PE 43:4ME299696--4.622872453-
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethan...LPE P-18:1 or LPE O-18:2ME299536--4.894918023-
PE(O-36:2)PE P-36:1 or PE O-36:2ME299631--4.661339952-
PE(O-36:3)PE P-36:2 or PE O-36:3ME299629--5.182238385-
PE(P-20:0)PE P-20:0 or PE O-20:1ME299556--4.586082137-
PE(P-34:1)PE P-34:1 or PE O-34:2ME299619--4.020617-
PE(P-34:2)PE P-34:2 or PE O-34:3ME299617--4.016684468-
PE(P-36:0)PE P-36:0 or PE O-36:1ME299632--6.013815323-
PE(P-36:1)PE P-36:1 or PE O-36:2ME299630--3.958671373-
PE(P-36:2)PE P-36:2 or PE O-36:3ME299628--3.975383343-
PE(P-36:3)PE P-36:3 or PE O-36:4ME299627--3.989790142-
PE(P-38:2)PE P-38:2 or PE O-38:3ME299641--4.67076731-
PE(P-38:3)PE P-38:3 or PE O-38:4ME299640--3.963565472-
PG(40:4)PG 40:4ME299682--3.662189113-
PG(40:5)PG 40:5ME299681--3.664512412-
PG(40:7)PG 40:7ME299678--3.67576785-
PG(O-36:2)PG P-36:1 or PG O-36:2ME299646--3.688022953-
PG(O-36:3)PG P-36:2 or PG O-36:3ME299644--3.686859857-
PhenolsulfonphthaleinPhenolsulfonphthaleinME299484--5.346489412-
PhenyllactatePhenyllactic acidME299255--6.556850155-
PhenylpropanoateHydrocinnamic acidME299215--5.150492435-
PhenylpyruvatePhenylpyruvic acidME299246--5.001203555-
Phe-Val-Pro-Pro-ME299530--7.175818202-
phosphinomethylisomalate-ME299337--13.61042585-
phosphinomethylmalate-ME299338--12.42355815-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME299261--13.97466256-
PhosphoenolpyruvatePhosphoenolpyruvic acidME299258--17.12983002-
PhosphonoacetaldehydePhosphonoacetaldehydeME299145--14.46176176-
PhthalatePhthalic acidME299250--12.89731217-
PhytuberinPhytuberinME299429--4.109578398-
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME299596--4.38166925-
PI(22:4(7Z,10Z,13Z,16Z)/0:0)LPI 22:4ME299604--4.27315877-
PI(34:1)PI 34:1ME299692--3.81100052-
PI(34:2)PI 34:2ME299689--3.816613262-
PI(36:1)PI 36:1ME299704--3.802010885-
PI(36:2)PI 36:2ME299703--3.803576175-
PI(36:3)PI 36:3ME299702--3.804570247-
PI(38:4)PI 38:4ME299708--3.784460203-
PI(38:6)PI 38:6ME299705--3.797402385-
PI(40:4)PI 40:4ME299712--3.771088272-
PI(40:5)PI 40:5ME299711--3.776606632-
PI(40:6)PI 40:6ME299710--3.773558508-
PI(40:8)PI 40:8ME299709--3.787032648-
PicolinamidePicolinamideME299143--7.300315287-
PIP(16:0/20:2(11Z,14Z))-ME299713--4.68032825-
PIP(16:0/22:4(10Z,13Z,16Z,19Z))-ME299716--7.178631247-
PIP(34:1)PI P-34:1 or PI O-34:2ME299529--4.539686398-
PIP(34:2)PI P-34:2 or PI O-34:3ME299528--7.173125062-
PIP(36:1)PI P-36:1 or PI O-36:2ME299715--7.188322272-
PIP(36:2)PI P-36:2 or PI O-36:3ME299714--7.173498468-
PIP(38:4)PI P-38:4 or PI O-38:5ME299548--4.4307354-
PIPES-ME299438--13.99681222-
[PR] Abietic acidAbietic acidME299439--4.030909013-
Propanoyl phosphatePropanoyl phosphateME299222--11.29597653-
PS(34:2)PS 34:2ME299645--3.81108095-
PS(36:0)PS 36:0ME299660--3.685210707-
PS(36:4)PS 36:4ME299655--3.800358847-
PS(38:1)PS 38:1ME299676--3.690283668-
PS(38:4)PS 38:4ME299672--3.746869378-
PS(38:6)PS 38:6ME299667--3.791136908-
PS(40:2)PS 40:2ME299699--3.669365128-
PS(40:3)PS 40:3ME299698--3.68212177-
PS(40:4)PS 40:4ME299697--3.707129253-
PS(40:5)PS 40:5ME299693--3.748323463-
PS(40:6)PS 40:6ME299690--3.751169383-
PseudouridinePseudouridineME299377--11.94421363-
PS(O-36:2)PS P-36:1 or PS O-36:2ME299654--3.793997192-
PS(O-36:3)PS P-36:2 or PS O-36:3ME299653--3.780222997-
PyruvatePyruvic acidME299084--8.153702465-
(R)-3-Amino-2-methylpropanoate-ME299106--12.21538305-
(R)-3-Hydroxy-3-methyl-2-oxopentanoate-ME299198--8.592947357-
(R)-3-Hydroxybutanoate3-Hydroxybutyric acidME299109--9.19529305-
(R)-Lactate-ME299088--14.729107-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME299121--14.65889153-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME299197--13.69764471-
(S)-2-Acetolactate(S)-2-AcetolactateME299167--14.24645602-
(S)-2-Aminobutanoate-ME299103--9.97415568-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME299496--13.59650326-
S-Adenosyl-L-methionineS-AdenosylmethionineME299500--16.33833897-
(S)-Dihydroorotate4,5-Dihydroorotic acidME299231--10.96291805-
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME299427--14.81800532-
(S)-LactateLactic acidME299089--9.498490275-
SlaframineSlaframineME299368--10.10874509-
(S)-MalateMalic acidME299176--15.64619364-
SM(d18:0/24:1(15Z))SM 18:0;O2/24:1ME299674--4.607387262-
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1ME299673--4.514491312-
SM(d32:1)SM 32:1;O2ME299611--4.471470408-
SM(d33:1)SM 33:1;O2ME299613--4.45622815-
SM(d34:1)SM 34:1;O2ME299620--4.43674313-
SM(d35:1)SM 35:1;O2ME299623--4.419631808-
SM(d40:1)SM 40:1;O2ME299658--4.610052037-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME299467--15.85093269-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME299390--14.44333167-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME299341--15.55442005-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME299266--14.73288156-
(S)-N-Methylcanadine(S)-N-MethylcanadineME299482--12.7571494-
sodium dodecyl sulfate-ME299404--3.815706785-
[SP (14:0)] 1-deoxy-tetradecasphinganineXestoaminol CME299360--5.017705563-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME299582--3.904293527-
[SP] 1-deoxy-sphinganineSpisulosineME299426--9.211378397-
SphinganineSphinganineME299437--7.215593832-
Sphingomyelin(d18:1/12:0)SM 18:1;O2/12:0ME299603--4.463795715-
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphi...-ME299588--3.91928571-
S-Sulfo-L-cysteineCysteine-S-sulfateME299320--16.3321177-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME299490--3.858479073-
[ST hydrox] 3alpha,12alpha-Dihydroxy-5beta-cholan-...Deoxycholic acidME299498--7.102066667-
SuccinateSuccinic acidME299136--14.83161759-
Succinate semialdehydeSuccinic acid semialdehydeME299100--7.203487043-
TaurineTaurineME299146--14.73800793-
TerephthalateTerephthalic acidME299251--14.62112747-
Tetracosanoic acidLignoceric acidME299491--3.815049383-
Tetradecanoic acidMyristic acidME299358--4.049459265-
Tetraethylammonium-ME299157--13.87924244-
ThiaminThiamineME299402--20.04435203-
Thiamin diphosphateThiamine diphosphateME299508--14.53986765-
ThymidineThymidineME299372--7.339512317-
trans-2-Hydroxycinnamate-ME299245--6.081197428-
Tributyl phosphateTributyl phosphateME299405--4.164635987-
Tridecanoylglycine-ME299413--4.497847765-
TrimethylaminoacetoneTrimethylaminoacetoneME299130--28.28960948-
tropine-ME299187--28.3770586-
Trp-Trp-Tyr-Tyr-ME299622--10.46182436-
Trypanothione disulfideTrypanothione disulfideME299486--20.15587187-
UDPUDPME299504--16.07950266-
UDP-glucoseUDP-glucoseME299589--15.97849753-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME299599--14.77583201-
UMPUMPME299459--14.88611246-
UracilUracilME299120--8.595429993-
UrateUric acidME299260--12.40498758-
UrocanateUrocanic acidME299184--10.42803213-
UTPUTPME299549--17.19171148-
Val-ArgVal-ArgME299414--13.56728696-
XanthineXanthineME299218--11.3111204-
Xanthosine 5'-phosphateXMPME299488--17.56954787-
(Z)-2-Methyl-5-isopropylhexa-2,5-dienal2-Methyl-5-isopropylhexa-2Z,5-dienalME299220--4.274865325-


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