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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-ME300545--14.41049395-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME300601--3.532584549-
(-)-11-hydroxy-9,10-dihydrojasmonic acid11-Hydroxy-9,10-dihydrojasmonic acidME300371--4.537820291-
12-OPDA-ME300443--3.908113824-
1,3,5-trimethoxybenzene1,3,5-TrimethoxybenzeneME300266--4.55135508-
1-O-Hexadecyl-sn-glycerolMG O-16:0ME300464--4.014363799-
1-O-Octadec-9-enyl glycerolPA O-16:0/12:0ME300483--3.950175209-
1-O-Octadecyl-sn-glycerolMG O-18:0ME300484--3.968516243-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME300160--12.73375576-
2,3-DimethylmaleateDimethyl maleateME300197--14.34633247-
2,5-Dihydroxypyridine-ME300135--7.502274665-
2-(alpha-Hydroxyethyl)thiamine diphosphate-ME300544--13.14125046-
2-C-Methyl-D-erythritol 4-phosphate-ME300355--14.24256138-
2-HexenoylcarnitineCAR 6:1ME300410--4.536929604-
2-Hydroxy-2,4-pentadienoate-ME300140--14.62741816-
2-Hydroxyethylphosphonate2-Hydroxyethylphosphonic acidME300157--13.91826016-
2-Methylaminoadenosine-ME300446--19.52991457-
2-Octenedioicacid2-Octenedioic acidME300278--7.53934199-
2-oxobut-3-enanoate-ME300124--7.580669569-
2-Oxobutanoate3-Methyl pyruvic acidME300126--14.68679341-
2-Oxoglutaramate2-Keto-glutaramic acidME300200--10.7860304-
2-OxoglutarateOxoglutaric acidME300204--16.15699306-
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME300360--4.162530429-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME300303--9.280736188-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME300296--8.294137218-
3,6,8-Trimethylallantoin-ME300330--12.67726182-
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME300405--13.06940814-
3-Butynoate3-Butynoic acidME300113--13.4514614-
3-Dehydroquinate3-DehydroquinateME300319--11.09429222-
3-deoxy-D-galactose3-DeoxygalactoseME300260--11.06007715-
3-Deoxy-D-manno-octulosonate 8-phosphate-ME300465--16.02993659-
3-Isopropylbut-3-enoic acid-ME300163--4.519040636-
3-Methoxy-4-hydroxyphenylacetaldehydeHomovanillinME300258--4.570728193-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME300144--7.628541277-
3-Methylbutanoic acidIsovaleric acidME300128--7.572124968-
3-Methylguanine3-MethylguanineME300252--12.284763-
3-nitro-2-pentanol-ME300182--7.638032904-
3-Phospho-D-glycerate3-Phosphoglyceric acidME300307--17.28725732-
3-Propylmalate3-PropylmalateME300291--9.3545283-
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME300232--15.83200878-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME300380--12.68267433-
3-sulfopropanoate-ME300226--17.06567763-
4,4'-Sulfonyldiphenol4,4'-SulfonyldiphenolME300402--4.232528445-
4-Acetamidobutanoate4-Acetamidobutanoic acidME300202--8.758472808-
4-Aminobutanal4-AminobutyraldehydeME300114--10.52431444-
4-Coumaratecis-p-Coumaric acidME300251--7.422285517-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME300153--7.581099635-
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME300145--4.53712794-
4-Hydroxyphenylglyoxylate-ME300255--15.82348518-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME300234--11.19200606-
4-Methyl-L-glutamate4-Methyl-glutamateME300247--12.12116839-
4-Oxoproline4-Oxo-prolineME300164--9.947568855-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME300196--10.29038942-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME300203--12.7713756-
5,6-DihydrothymineDihydrothymineME300162--14.46055621-
5-6-Dihydrouridine5,6-DihydrouridineME300398--9.871197063-
5-Amino-4-imidazole carboxylate-ME300159--8.546734431-
5-Aminolevulinate5-Amino-levulinic acidME300173--14.23651161-
5beta-Pregnane-3alpha,17alpha,20alpha-triol-ME300479--3.561380495-
5-exo-Hydroxy-1,2-campholide5-exo-Hydroxy-1,2-campholideME300306--4.489408742-
5-Guanidino-2-oxopentanoate2-OxoarginineME300283--14.17902075-
5-Hydroxyferulate-ME300347--7.582764147-
5-Hydroxyindoleacetylglycine5-HydroxyindoleacetylglycineME300401--7.517889526-
5-Hydroxypentanoate5-Hydroxyvaleric acidME300150--7.636688398-
5-Methylthio-D-ribose5-MethylthioriboseME300297--7.552674841-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME300310--7.652526012-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME300201--12.83824923-
6-deoxy-5-ketofructose-1-phosphate6-Hydroxyl-1,6-dihydropurine ribonucleosideME300390--16.26908733-
6-Phospho-D-gluconate6-Phosphogluconic acidME300431--18.03517054-
7,8-diketopelargonate-ME300308--4.54184567-
7-Methylguanine7-MethylguanineME300253--9.352838234-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME300311--7.583799965-
9-Oxononanoic acid9-Oxo-nonanoic acidME300279--7.482642387-
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME300453--8.72620403-
AcetoacetateAcetoacetic acidME300125--7.630686597-
Acetyl-CoAAcetyl-CoAME300658--12.08945201-
Acetyl phosphateAcetylphosphateME300190--17.00823578-
a Cysteine adduct-ME300321--15.60441957-
AdenineAdenineME300185--9.169066034-
AdenosineAdenosineME300422--8.573919851-
(+)-AdlumineAdlumineME300498--10.64746665-
ADPAdenosineME300518--15.01254381-
AjmalineAjmalineME300470--10.56216989-
Ala-Asp-Asp-Gln-ME300528--15.87114033-
Ala-Leu-Met-Val-ME300521--8.316302044-
Ala-Leu-Phe-Phe-ME300564--7.625590217-
Ala-Met-Asp-Gly-ME300502--10.58602885-
Ala-Met-Asp-Tyr-ME300565--10.35281266-
Ala-Met-Met-Met-ME300554--9.747958126-
Ala-Phe-Asp-Tyr-ME300578--13.92958163-
Ala-Phe-Val-Tyr-ME300566--7.627234858-
AllantoinAllantoinME300238--14.27657644-
allylcysteineS-AllylcysteineME300245--11.18149225-
alpha-D-Galactosyl-N-acetyllactosamineGalactosyl-N-acetyllactosamineME300592--16.17450398-
alpha-Ironealpha-IroneME300345--4.05259421-
AMPAMPME300486--13.43607726-
ApioleApioleME300364--7.436210124-
Arg-Cys-Cys-Tyr-ME300591--14.54613896-
Arg-OEtEthyl arginateME300338--20.89330087-
Arg-Phe-Phe-Arg-ME300606--14.9454728-
AscorbateVitamin CME300290--15.8731239-
Asn-Gly-Tyr-Tyr-ME300579--7.520768141-
Asn-Val-Asn-Asn-ME300537--8.825489768-
Asn-Val-Asn-Ser-ME300520--8.75740607-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME300516--17.04089422-
Aspergillic acid-ME300367--7.606023893-
ATPATPME300571--16.37877759-
Bakkenolide ABakkenolide AME300382--4.01236883-
beta-D-DigitalopyranoseDigitaloseME300293--8.825907712-
BetaineBetaineME300147--10.89589532-
Bis(2-ethylhexyl)phthalatebis(2-Ethylhexyl)phthalic acidME300501--3.760223527-
Butanoic acidButyric acidME300116--7.629260873-
Butanoylphosphate-ME300264--13.92416469-
ButenylcarnitineCAR 4:1ME300373--7.680037656-
CaproylcholineCaproylcholineME300335--7.700236832-
CapryloylglycineCapryloylglycineME300334--7.546259783-
CAPS-ME300362--8.761597101-
Carbamoyl phosphateCarbamoylphosphateME300192--15.01047463-
CarnosineCarnosineME300368--15.37225974-
CDPCDPME300509--17.16972378-
CDP-cholineCytidine 5'-diphosphocholineME300559--15.042385-
CDP-ethanolamineCDP-EthanolamineME300527--16.25843501-
Cer(d34:2))Cer 34:2;O2ME300587--3.757819503-
Cer(d36:1)Cer 36:1;O2ME300594--3.756699581-
CHAPSCHAPSME300604--8.164758574-
ChenodeoxyglycocholateGlycochenodeoxycholic acidME300529--4.374784181-
ChitobioseN,N'-DiacetylchitobioseME300515--16.18551303-
CholesterolsulfateCholesterol sulfateME300540--3.551112965-
CholineCholineME300131--20.09948554-
Choline phosphateCholine phosphateME300305--14.57766195-
Cinnamic acidCinnamic acidME300216--4.344392535-
cis-Aconitatecis-Aconitic acidME300284--18.53734794-
cis-(homo)3aconitate-ME300356--16.54166736-
CitrateCitric acidME300323--18.68569212-
CMPCMPME300468--15.83337273-
CMP-2-aminoethylphosphonateCMPciliatineME300519--15.0737984-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME300547--13.93649915-
CoACoenzyme AME300407--7.620818248-
CreatineCreatineME300174--14.38208479-
CreatinineCreatinineME300139--9.411687414-
CTPCTPME300555--18.41446732-
Cyclic ADP-riboseCyclic ADP-riboseME300590--13.65266746-
Cys-Leu-Cys-Tyr-ME300568--10.46166387-
Cys-SerCys-SerME300346--16.69054675-
CysteineMercaptoethanol disulfide-ME300327--11.34611102-
CytidineCytidineME300393--11.65219148-
dADPdADPME300514--14.06441911-
DaminozideDaminozideME300241--7.657077237-
dAMPdAMPME300474--12.32476004-
D-ArabitolArabitolME300224--12.81600152-
dATPdATPME300560--15.39464183-
dCTPdCTPME300541--17.38959346-
decanamideDecanamideME300276--4.313940612-
Decanoic acidCapric acidME300281--4.007259419-
DeoxyadenosineDeoxyadenosineME300404--7.674696598-
DeoxymannojirimycinDeoxymannojirimycinME300250--14.34206673-
DeoxyriboseDeoxyriboseME300184--8.976890896-
D-ErythroseErythroseME300152--13.86209748-
DethiobiotinDethiobiotinME300351--12.13962765-
D-FructoseFructoseME300299--13.49446871-
D-Fructose 6-phosphateFructose 6-phosphateME300415--16.19382032-
dGDPdGDPME300517--16.31592279-
D-Gluconic acidGluconic acidME300326--14.1277192-
D-Glucono-1,5-lactoneGluconolactoneME300292--15.04905139-
D-Glucono-1,5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME300412--18.02115429-
D-GlucoseGlucoseME300298--14.66553955-
D-Glucose 6-phosphateGlucose 6-phosphateME300414--16.96407648-
D-GlycerateGlyceric acidME300133--12.15826555-
dGMPdGMPME300485--14.97342612-
Diethyl adipate-ME300336--4.489531205-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME300386--9.995592691-
Dihydrogenphosphate-ME300122--13.93294911-
Dihydroneopterin phosphateDihydroneopterin phosphateME300477--15.8629161-
DL-Methionine sulfoneMethionine sulfoneME300301--11.83301947-
D-LysineD-LysineME300208--19.32676896-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME300389--17.46799584-
DocosahexaenoicacidDocosahexaenoic acidME300472--3.72624311-
Docosanoic acidBehenic acidME300481--3.66096124-
Dodecanoic acidLauric acidME300332--3.876710516-
DopamineDopamineME300225--7.466095977-
D-RiboseRiboseME300219--14.63813333-
D-Ribose 5-phosphateRibose 5-phosphateME300376--15.83613048-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME300442--16.3486907-
dTDPdTDPME300508--14.54316176-
dTTPdTTPME300553--15.95083169-
D-XylonateXylonic acidME300257--13.7114938-
D-XylonolactoneD-Xylono-1,5-lactoneME300215--15.59480299-
EctoineEctoineME300193--12.51827603-
EmbelinEmbelinME300444--7.436892004-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME300207--4.529651852-
Ethyl (R)-3-hydroxybutanoate-ME300179--4.574220641-
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME300243--4.549586608-
[FA (11:0)] undecanoic acidUndecylic acidME300309--3.961969204-
FA (12:1) dodecenoic acidDodecenoic acidME300329--3.923763402-
FA (14:1) tetradecenoic acidTetradecenoic acidME300369--3.816508329-
FA(16:1)Hexadecenoic acidME300406--3.773567388-
FA (17:0)Margaric acidME300426--3.750378628-
[FA (17:1)] 7-heptadecynoic acid-ME300420--3.786858922-
FA (18:1)Octadecenoic acidME300435--7.457361946-
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid9R,10S-EpOMEME300447--3.806856161-
[FA (18:1)] 9Z-octadecenamideOleamideME300434--4.073484056-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME300436--3.742874267-
[FA (18:2)] 3Z,13Z-octadecadien-1-ol-ME300421--3.934222375-
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acidgamma-Linolenic acidME300433--3.760675913-
FA (20:0)Arachidic acidME300462--3.701638766-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME300461--3.705429158-
FA (20:4)Arachidonic acidME300457--3.75010774-
[FA (22:1)] 13Z-docosenoic acidcis-Erucic acidME300480--3.669081296-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME300475--3.715141879-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME300473--3.71590975-
FA (8:0) octanoic acidCaprylic acidME300199--4.288328596-
FA (8:1)Octenoic acidME300194--4.369971367-
FADFADME300649--11.07539358-
FA dimethyl(16:0)13S-HpODEME300440--7.448399983-
FA dioxo(10:0)-ME300331--4.524718884-
FA ethyl(6:0)-ME300198--7.402282626-
FA hydroxy(10:0)-ME300315--7.483147464-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME300370--7.534612661-
FA hydroxy(16:0)] hexadecanoic acid-ME300428--3.781984783-
FA hydroxy(18:0)-ME300451--3.770228621-
FA hydroxy(6:0)-ME300178--7.547639465-
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME300242--7.560544907-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME300287--7.529714468-
FA methyl(12:0) dodecanoic acidLauric acidME300352--3.850730067-
FA methyl(14:0)-ME300392--3.791073907-
FA methyl(16:1)-ME300423--3.752922108-
FA methyl(18:0)N-Stearoyl taurineME300449--3.732939131-
FA methyl(6:0)-ME300171--4.458495651-
FA methyl(8:0)-ME300240--4.10517028-
FA methyl (8:1)-ME300236--4.266617772-
FA oxo(12:1)TraumatinME300350--4.082073554-
FA oxo(16:0)-ME300425--3.815674995-
FA oxo(18:0)-ME300448--3.780528613-
FA oxo(8:0) oxo-octanoic acid-ME300239--7.550939123-
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME300235--4.584886612-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME300280--4.483799976-
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic a...2-Oxo-4-methylthiobutanoic acidME300214--7.588689692-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME300186--12.5807036-
Ferulatetrans-Ferulic acidME300325--7.489376455-
FMNFMNME300532--10.94512155-
Formylmethionyl-leucyl-phenylalanine methyl ester-ME300530--3.9357098-
FructosamineFructosamineME300295--13.44204556-
Furfural2-FurancarboxaldehydeME300121--13.46623049-
Furfural diethyl acetal-ME300272--4.544914489-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME300357--8.605952442-
GDPGDPME300526--18.1552898-
GDP-mannoseGDP-mannoseME300602--18.53892663-
GentioflavineGentioflavineME300324--4.585365889-
[GL (22:5/16:0)] 1-(5Z,8Z,11Z,14Z,17Z-docosapentae...-ME300676--3.521115236-
GlucosylgalactosylhydroxylysineGlucosylgalactosyl hydroxylysineME300558--7.610495597-
Glu-GluGlu-GluME300432--16.97095126-
Glu-Glu-GluGlu-Glu-GluME300512--18.34827623-
Glu-Glu-LysGlu-Glu-LysME300511--27.77255696-
Glu-Met-Met-Met-ME300589--13.82625077-
Glu-Met-Met-Thr-ME300576--14.61847656-
Glu-Ser-ThrGlu-Ser-ThrME300478--15.64412398-
Glutarimide-ME300138--4.829980071-
GlutathioneGlutathioneME300458--14.38464445-
GlycerolGlycerolME300120--10.30574969-
Glycerone phosphateDihydroxyacetone phosphateME300271--15.08250167-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME300397--12.70290974-
glycerophosphoserinesn-Glycero-3-phosphoserineME300413--15.43699723-
GMPGMPME300492--16.80011904-
GTPGTPME300584--19.45048554-
GuanidinoacetateGuanidoacetic acidME300146--15.67506178-
GuanineGuanineME300222--12.12655521-
HEPES-ME300385--9.842432509-
HexadecanalPalmitaldehydeME300388--3.986376004-
Hexadecanoic acidPalmitic acidME300408--3.765972475-
HexadecasphinganineC16 SphinganineME300430--7.687762191-
HomoarginineHomoarginineME300314--23.79186992-
Homostachydrine(S)-HomostachydrineME300237--9.448624321-
Hydroxyacetone phosphateHydroxyacetone phosphateME300227--13.91172074-
HydroxymethylphosphonateHydroxymethylphosphonic acidME300136--14.51808335-
HypotaurineHypotaurineME300134--14.8342105-
HypoxanthineHypoxanthineME300187--9.980744376-
Ibuprofenacylglucuronide-ME300496--8.146718703-
Icosadienoic acid11Z,14Z-Eicosadienoic acidME300460--3.718084556-
Ile-AlaIle-AlaME300337--12.18374304-
Ile-ArgIle-ArgME300441--11.84057182-
Ile-Gly-MetIle-Gly-MetME300466--11.10327375-
Ile-Ile-Ile-Val-ME300534--7.57902392-
Ile-Lys-Lys-Ser-ME300384--19.36534146-
Ile-Phe-Pro-Pro-ME300548--7.62193209-
Ile-ThrIle-ThrME300381--7.643029989-
Ile-ValIle-ValME300377--7.576492011-
Imidazol-5-yl-pyruvate-ME300229--10.6604621-
Imidazole-4-acetateImidazoleacetic acidME300158--11.55292113-
IMPIMPME300487--15.4307873-
IndolelactateIndolelactic acidME300344--8.083135366-
IndolepyruvateIndolepyruvateME300339--7.640472772-
IridodialIridodialME300267--4.380687349-
Isovalerylglutamicacid-ME300378--7.70773174-
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME300165--10.35452861-
L-2-Amino-6-oxoheptanedioate-ME300317--9.592301581-
L-3-Amino-isobutanoatebeta-Aminoisobutyric acidME300129--13.32551199-
L-4-Hydroxyglutamate semialdehyde-ME300212--11.21731742-
Lacto-N-tetraoseLacto-N-tetraoseME300622--16.58568862-
L-AlanineAlanineME300117--14.55278982-
L-ArginineArginineME300286--23.57304351-
L-AsparagineAsparagineME300177--15.28448979-
L-AspartateAspartic acidME300181--15.09403737-
L-CarnitineCarnitineME300248--12.79486595-
L-CitrullineCitrullineME300289--15.73126746-
L-CystathionineCystathionineME300363--17.08094721-
L-CystineCystineME300387--16.34662443-
L-GlutamateGlutamic acidME300210--14.69152425-
L-GlutamineGlutamineME300206--14.92638116-
L-HistidineHistidineME300231--14.38057388-
L-HomocitrullineHomocitrullineME300318--14.85028493-
L-isoleucyl-L-prolineIle-ProME300372--7.550947449-
L-LeucineLeucineME300175--10.63208331-
L-LysineLysineME300209--22.34727881-
L-MethionineMethionineME300217--11.23032966-
L-OrnithineOrnithineME300180--21.73307973-
L-PhenylalaninePhenylalanineME300254--9.780105116-
L-PipecolatePipecolic acidME300168--11.97359316-
L-ProlineProlineME300143--12.44448735-
L-SerineSerineME300132--15.82454848-
L-ThreonineThreonineME300151--14.34806815-
L-TryptophanTryptophanME300342--11.35820705-
L-TyrosineTyrosineME300302--12.83201058-
L-ValineValineME300148--12.08877714-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...LPC 14:0ME300542--4.468319131-
LysoPC(16:0)LPC 16:0ME300563--4.352875178-
LysoPC(16:1(9Z))LPC 16:1(9Z)*ME300561--4.383145526-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME300552--4.384710991-
LysoPC(18:0)LPC 18:0ME300585--4.26530611-
LysoPC(18:1)LPC 18:1ME300583--4.28686423-
LysoPC(22:4(7Z,10Z,13Z,16Z))LPC 22:4(7Z,10Z,13Z,16Z)ME300598--4.212624806-
LysoPC(22:5)LPC 22:5ME300597--4.221648395-
LysoPC(O-16:1)LPC O-16:1ME300550--4.309908952-
LysoPC(O-18:2)LPC O-18:2ME300574--4.282753257-
LysoPE(18:0)LPE(18:0)ME300551--4.375607337-
LysoPE(18:1)LPE 18:1ME300539--4.245674388-
LysoPE(18:2)LPE(18:2)ME300549--4.328436485-
LysoPE(20:0)LPE 20:0ME300573--4.306102015-
LysoPE(20:1)LPE 20:1ME300572--4.340784163-
LysoPE(20:2)LPE 20:2ME300570--4.352156892-
LysoPE(22:6)LPE 22:6ME300586--4.229535359-
MaleamateMaleamateME300142--7.640972357-
MannitolMannitolME300304--13.73278329-
Margaroyl-EAMargaroyl-EAME300463--3.7174-
MargaroylglycineMargaroylglycineME300471--3.686577222-
methiin-ME300221--10.50796506-
Methyl cinnamateMethyl cinnamateME300249--4.197728287-
Methylimidazoleacetic acidMethylimidazoleacetic acidME300191--9.355620332-
Met-SerMet-SerME300383--10.50059839-
Muramic acidMuramic acidME300403--13.07674069-
myo-InositolMyo-inositolME300300--17.11458707-
N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME300489--3.924375916-
N-(11Z-eicosaenoyl)-ethanolamine11Z-Eicosaenoyl-EAME300490--3.940853026-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME300340--11.5023902-
N2-Acetyl-L-aminoadipyl-delta-phosphate-ME300437--15.07614074-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME300399--16.67157039-
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradeca...GlcCer 14:1;O2(4E)/22:0;OME300638--3.825065861-
N-(2-hydroxy-tetracosanoyl)-1-beta-glucosyl-tetrad...GlcCer 14:1;O2(4E)/24:0;OME300646--3.789872357-
N4-AcetylaminobutanalN4-AcetylaminobutanalME300167--7.594727513-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME300320--13.15518829-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME300538--18.60468705-
N6-Acetyl-L-lysineN6-AcetyllysineME300313--12.30424957-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME300343--16.33894306-
N6-Methyl-L-lysineN(6)-MethyllysineME300244--21.75924395-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME300316--21.07763012-
N-AcetylanthranilateMethyl n-acetylanthranilateME300294--7.626362585-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME300361--11.50041425-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME300452--15.07092809-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME300366--12.78034594-
N-AcetylglutamineN-AcetylglutamineME300312--10.57369065-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME300282--7.629066275-
N-Acetyl-L-histidineN-AcetylhistidineME300328--8.723153612-
N-AcetylmethionineN-AcetylmethionineME300322--7.627428691-
N-AcetylornithineN-AcetylornithineME300285--13.03573135-
N-AcetylputrescineN-AcetylputrescineME300172--20.61711598-
NAD+NAD+ME300610--13.62616461-
NADHNADHME300611--13.25004431-
NADP+NADP+ME300636--16.70728095-
NADPHNADPHME300639--17.42293086-
Nalpha-MethylhistidineN-MethylhistidineME300269--12.61901982-
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME300275--7.592406873-
N-DecanoylglycineN-DecanoylglycineME300374--4.497980433-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME300288--20.82111802-
N-ethylsuccinimideN-EthylsuccinimideME300161--4.806972459-
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphoe...-ME300607--4.031234983-
N-hydroxyisoleucineN-hydroxyisoleucineME300213--11.86797275-
N-LauroylglycineN-LauroylglycineME300411--4.237478722-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME300123--7.652147863-
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME300230--14.57395339-
N-MethylhydantoinN-MethylhydantoinME300141--8.684192812-
N,N-dihydroxyvaline-ME300218--11.0450926-
N,N-DimethylglycineDimethylglycineME300130--11.86685251-
N-NonanoylglycineN-NonanoylglycineME300354--7.527116272-
nocardicin F-ME300507--14.32509033-
nonulose 9-phosphate-ME300488--16.85475608-
N-palmitoyl methionineN-Palmitoyl methionineME300500--3.598754064-
N(pi)-Methyl-L-histidine3-MethylhistidineME300270--11.89621748-
N-Succinyl-L-glutamateN2-SuccinylglutamateME300400--16.91522808-
N-(Tetradecanoyl)-sphing-4-enineCer 18:1;O2/14:0ME300575--3.78524797-
N-UndecanoylglycineN-UndecanoylglycineME300395--4.381635506-
O-AcetylcarnitineCAR 2:0ME300341--10.38969346-
O-Acetyl-L-homoserineO-Acetyl-homoserineME300246--9.378635506-
O-Acetyl-L-serineO-AcetylserineME300211--10.87965612-
O-ButanoylcarnitineCAR 4:0ME300379--8.103847437-
OctadecanalStearaldehydeME300424--3.925293515-
OctadecanamideStearamideME300438--3.704581342-
Octadecanoic acidStearic acidME300439--3.726325353-
Octadecanoyl-CoAStearoyl-CoAME300580--4.554194002-
octulose 8-phosphateOctulose 8-phosphateME300467--16.7678699-
O-PropanoylcarnitineCAR 3:0ME300358--9.079080101-
OrotateOrotic acidME300233--10.49788573-
Ovothiol A-ME300333--15.32990405-
OxalateOxalic acidME300118--18.55511952-
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosp...LPA 16:0ME300513--4.367212609-
PA(18:1(9Z)/0:0)PA 18:1(9Z)/0:0*ME300523--4.31732646-
PA(18:2(9Z,12Z)/0:0)PA 18:2(9Z,12Z)/0:0*ME300522--4.319984969-
[PA(20:4(5Z,8Z,11Z,14Z)/0:0)] 1-(5Z,8Z,11Z,14Z-eic...-ME300535--4.303502688-
PA(34:2)PA 34:2ME300612--3.556776428-
PA(36:2)PA 36:2ME300619--3.551921119-
PA(36:3)PA 36:3ME300617--3.56048334-
PA(36:4)PA 36:4ME300616--3.545173021-
PA(38:4)PA 38:4ME300628--3.548928852-
PA(38:5)PA 38:5ME300627--3.540638212-
PA(38:6)PA 38:6ME300626--3.539438201-
Palmitoyl-CoAPalmitoyl-CoAME300569--7.623792682-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME300417--14.71525688-
PantothenatePantothenic acidME300359--8.583994696-
PA(O-36:3)PA O-36:3ME300614--3.556765443-
PA(P-34:2)PA P-34:2ME300609--3.566935352-
PC(14:1)PC 14:1ME300531--4.286018322-
PC(18:2)PC 18:2ME300581--4.310766282-
[PC(22:6)]LPC 22:6ME300596--4.232537377-
[PC(22:6/22:6)] 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME300686--3.694482527-
PC(32:0)PC 32:0ME300632--3.8648634-
PC(34:2)PC 34:2ME300641--3.830229057-
PC(36:2)PC 36:2ME300650--3.792091463-
PC(38:4)PC 38:4ME300660--3.760541869-
PC(38:5)PC 38:5ME300657--3.761305683-
PC(38:6)PC 38:6ME300655--3.766121934-
PC(40:5)PC 40:5ME300674--3.740515037-
PC(40:6)PC 40:6ME300672--3.730525592-
PC(40:7)PC 40:7ME300670--3.742373161-
PC(40:8)PC 40:8ME300669--3.745355677-
PC(42:10)PC 42:10ME300680--4.12427357-
PC(42:8)PC 42:8ME300681--3.712714225-
PC(44:10)PC 44:10ME300687--3.655923152-
PC(44:9)PC 44:9ME300689--3.698989025-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine-ME300450--10.34765367-
PC(P-32:2)PC P-32:2ME300623--3.85454065-
PC(P-34:2)PC P-34:2ME300635--3.822871951-
P-DPD-ME300349--12.96213044-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPE P-16:0 or LPE O-16:1ME300524--4.335856095-
PE(16:2)PE 16:2*ME300525--4.422053652-
PE(32:1)PE 32:1ME300615--3.553595517-
PE(34:2)PE 34:2ME300624--3.807510574-
PE(36:2)PE 36:2ME300637--3.814179664-
PE(36:4)PE 36:4ME300634--3.777058138-
PE(36:5)PE 36:5ME300633--3.540428869-
PE(42:4)PE 42:4ME300666--3.751281298-
PE(42:5)PE 42:5ME300664--3.760194292-
Pentadecanoic acidPentadecylic acidME300391--7.421092401-
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethan...LPE P-18:1 or LPE O-18:2ME300543--4.327228478-
PE(P-20:0)PE P-20:0ME300562--4.179765053-
PE(P-34:2)PE P-34:2ME300618--3.778382111-
PE(P-36:1)PE P-36:1ME300631--3.795648379-
PE(P-36:2)PE P-36:2ME300630--3.760528856-
Perillic acidPerillic acidME300261--4.513476104-
PG(34:2)PG 34:2ME300640--3.517542292-
PG(36:4)PG 36:4ME300644--3.511848797-
PG(40:4)PG 40:4ME300668--3.509950405-
PG(40:5)PG 40:5ME300667--3.505760565-
PG(40:6)PG 40:6ME300665--3.504616677-
PG(40:8)PG 40:8ME300663--3.497007299-
PG(40:9)PG 40:9ME300662--3.48315263-
Phe-Asp-AspPhe-Asp-AspME300504--17.40929675-
PhenyllactatePhenyllactic acidME300259--7.605896493-
PhenylpropanoateHydrocinnamic acidME300220--4.540624096-
Phe-Val-Pro-Pro-ME300536--7.621182908-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME300268--13.93394963-
PhosphoenolpyruvatePhosphoenolpyruvic acidME300263--18.0095001-
phosphoglycolohydroxamate-ME300274--15.10631312-
PhosphonoacetaldehydePhosphonoacetaldehydeME300155--13.93177277-
PhthalatePhthalic acidME300256--13.54414635-
PhytuberinPhytuberinME300445--3.85803587-
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME300600--4.047615442-
PI(18:2)PI 18:2ME300599--4.072730088-
PI(34:1)PI 34:1ME300675--3.578809754-
PI(34:2)PI 34:2ME300673--3.583663407-
PI(34:3)PI 34:3ME300671--3.578465457-
PI(36:1)PI 36:1ME300685--3.572097964-
PI(36:2)PI 36:2ME300684--3.572465453-
PI(36:3)PI 36:3ME300683--3.570609352-
PI(36:4)PI 36:4ME300682--3.569497147-
PI(38:6)PI 38:6ME300688--3.563528455-
PI(40:4)PI 40:4ME300694--3.557557728-
PI(40:5)PI 40:5ME300693--3.558312213-
PI(40:6)PI 40:6ME300692--3.555325621-
PI(40:7)PI 40:7ME300691--3.560199576-
PI(40:8)PI 40:8ME300690--3.558969923-
PI(42:8)PI 42:8ME300696--3.54127521-
PI(42:9)PI 42:9ME300695--3.550017889-
PicolinamidePicolinamideME300154--7.608767391-
PIP(16:0/20:2(11Z,14Z))-ME300546--4.159519121-
PIP(38:4)PIP 38:4*ME300556--4.095299598-
PIP(38:5)PIP 38:5*ME300697--7.650329577-
PIPES-ME300455--14.87144798-
[PR] 4-Hydroxymytiloxanthin-ME300605--4.86549272-
[PR] Abietic acidAbietic acidME300456--3.775593809-
[PR] Coenzyme Q8Coenzyme Q8ME300629--4.212690257-
[PR] Limonene-1,2-diol-ME300273--4.139653253-
Propanoyl phosphatePropanoyl phosphateME300228--11.73156745-
PS(18:2(9Z,12Z)/0:0)LPS 18:2ME300582--4.061136571-
PS(34:0)PS 34:0ME300643--3.52116626-
PS(34:2)PS 34:2ME300642--3.568078055-
PS(36:0)PS 36:0ME300652--3.514275193-
PS(36:2)PS 36:2ME300651--3.543523996-
PS(38:4)PS 38:4ME300661--3.565395926-
PS(38:5)PS 38:5ME300659--3.549758527-
PS(38:6)PS 38:6ME300656--3.557492264-
PS(40:2)PS 40:2ME300679--3.516147155-
PS(40:3)PS 40:3ME300678--3.513885368-
PS(40:4)PS 40:4ME300677--3.515773172-
PseudouridinePseudouridineME300396--11.81814553-
PS(O-18:0)PS O-18:0ME300577--4.034907724-
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PS O-18:0/20:5ME300653--3.554912195-
PS(O-36:0)PS O-36:0ME300648--3.521086189-
PS(O-36:2)PS O-36:2ME300647--3.564273592-
PS(O-36:3)PS O-36:3ME300645--3.531116659-
PS(O-38:4)PS O-38:4ME300654--3.559069923-
PyridoxalPyridoxalME300262--7.993537709-
PyruvatePyruvic acidME300115--8.509418167-
RishitinRishitinME300365--3.878631531-
(R)-piperidine-3-carboxylate-ME300166--10.69411656-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME300205--14.50305653-
(S)-2-Acetolactate(S)-2-AcetolactateME300176--14.78260038-
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME300170--4.540277221-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME300499--12.92091055-
S-Adenosyl-L-methionineS-AdenosylmethionineME300505--15.83137602-
SedoheptuloseGlucoheptuloseME300348--13.84709217-
(S)-LactateLactic acidME300119--9.84884931-
(S)-MalateMalic acidME300183--16.56165621-
SM(d32:1)SM 32:1;O2ME300613--4.059348384-
SM(d34:1)SM 34:1;O2ME300621--4.037266665-
SM(d34:2)SM 34:2;O2ME300620--4.073641875-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME300476--16.20127196-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME300409--13.92488371-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME300353--15.41013174-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME300277--15.00576196-
sodium dodecyl sulfate-ME300418--3.653928983-
[SP (14:0)] 1-deoxy-tetradecasphinganineXestoaminol CME300375--7.537401459-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME300588--3.752202848-
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol-ME300454--7.667283742-
Sphingomyelin(d18:1/12:0)SM 18:1;O2/12:0ME300608--4.010260971-
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphi...-ME300593--3.786352843-
[SP] Sphinganine-1-phosphateSphinganine 1-phosphateME300495--7.656192814-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME300493--5.049482252-
Stealthin CStealthin CME300459--16.26634643-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...Chenodeoxycholic acidME300503--4.372760447-
SuccinateSuccinic acidME300149--15.5607996-
Succinate semialdehydeSuccinic acid semialdehydeME300127--12.85961193-
SuccinyladenosineSuccinyladenosineME300497--14.65102217-
SucroseSucroseME300482--15.4699405-
SulfoacetateSulfoacetic acidME300189--18.72985513-
TaurineTaurineME300156--15.29740915-
TaurodeoxycholateTaurodeoxycholic acidME300567--4.128271143-
Tetracosanoic acidLignoceric acidME300494--3.634224264-
Tetraethylammonium-ME300169--15.53129208-
ThiaminThiamineME300416--20.42102041-
TiglylcarnitineCAR(4:1(2Me))ME300394--7.561206497-
Tributyl phosphateTributyl phosphateME300419--3.918858708-
Tridecanoylglycine-ME300427--4.118777258-
Tris(butoxyethyl)phosphate-ME300506--3.845051528-
Trp-Trp-Tyr-Tyr-ME300625--10.52879063-
Trypanothione disulfideTrypanothione disulfideME300491--19.51238883-
UDPUDPME300510--16.67685435-
UDP-D-galactoseUDP-galactoseME300595--16.64449877-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME300603--15.22352233-
UMPUMPME300469--15.16240574-
UracilUracilME300137--8.309051458-
UrateUric acidME300265--12.79162325-
UrocanateUrocanic acidME300188--10.9968507-
UTPUTPME300557--17.99523324-
Val-ArgVal-ArgME300429--13.12389263-
Vindoline-ME300533--4.322189492-
VinylacetylglycineVinylacetylglycineME300195--9.187242392-
XanthineXanthineME300223--11.47255889-


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