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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
erucamide13Z-DocosenamideME512044--3.247200406-
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME512035-C042777.050813726-
1-Methylhistidine1-MethylhistidineME512147-C0115212.00943079-
2,3-Diaminosalicylic acid2,3-Diaminosalicylic acidME512269--8.032557072-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME512158--12.63137765-
2-Aminoheptanoate2-Aminoheptanoic acidME512139--12.69184359-
2-Heptenal2-HeptenalME512285--3.192431259-
2-O-Methylcytosine2-O-MethylcytosineME512205--7.29478747-
3-(Cystein-S-yl)acetaminophen3-(Cystein-S-yl)acetaminophenME512193--7.652682638-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME512241-C0125919.17718584-
3-hydroxypyridine3-HydroxypyridineME512278--7.755228717-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME512168-C0103514.74634431-
4-Imidazolone-5-propionic acid4-Imidazolone-5-propionic acidME512043-C0368011.54371611-
4-Nitroaniline4-NitroanilineME512111-C021267.599432933-
4-Oxoproline4-Oxo-prolineME512022-C0187710.39377421-
5-Acetamidovalerate5-Acetamidovaleric acidME512266-C0308712.27998467-
5-Methylcytosine5-MethylcytosineME512203-C023769.131463167-
5'-Methylthioadenosine5'-MethylthioadenosineME512036-C001707.096168635-
AdenineAdenineME512237-C001478.942049549-
AdenosineAdenosineME512051-C00212_C071958.401773798-
Ala/Asn/SerAla-Asn-SerME512120--16.71062953-
AlanineAlanineME512062-C00133_C0004114.71463383-
Alanyl-SerineAla-SerME512293--21.11498042-
AllysineAllysineME512077-C01475_C040769.021840871-
Aminoadipic acidAminoadipic acidME512088-C0095615.20303542-
ArbutinArbutinME512194-C061868.934136672-
ArginineArginineME512031-C00792_C0006223.06207499-
Aspartyl-L-prolineAsp-ProME512109--15.96311887-
Adenosine triphosphateATPME512095-C0000216.83604195-
benzenamine sulfateBenzenamine sulfateME512248--9.430128753-
BetaineBetaineME512127-C0071910.75638463-
Bis-D-fructose 2',1:2,1'-dianhydrideBis-D-fructose 2',1:2,1'-dianhydrideME512149-C0433313.52392835-
PentadecanoylcarnitineCAR 15:0ME512174--3.14178522-
PalmitoylcarnitineCAR 16:0ME512144-C029903.911994158-
trans-Hexadec-2-enoyl carnitineCAR 16:1(2E)ME512165--3.865081935-
OleoylcarnitineCAR 18:1ME512141--3.693163067-
Linoelaidyl carnitineCAR 18:2(9E,12E)ME512198--3.764024237-
AcetylcarnitineCAR 2:0ME512130-C0257110.23067328-
PropionylcarnitineCAR 3:0ME512125-C030178.955761893-
ButyrylcarnitineCAR 4:0ME512128-C028627.893725395-
2-MethylbutyroylcarnitineCAR 4:0;2MeME512136--7.222680475-
HydroxybutyrylcarnitineCAR 4:0;OHME512243--10.54875316-
TiglylcarnitineCAR 4:1;2MeME512214--7.415704273-
GlutarylcarnitineCAR DC5:0ME512215--12.40046177-
CarnitineCarnitineME512129-C00318_C00487_C1502512.68257133-
CarnosineCarnosineME512117-C0038615.25640421-
N-(2-hydroxypentadecanoyl)-phytosphingosineCer 18:0;O3/15:0;OME512270--3.153008718-
CHAPSCHAPSME512225-C113217.816233797-
PhosphorylcholineCholine phosphateME512023-C0058814.7695594-
CitrullineCitrullineME512055-C0032715.74026138-
CreatineCreatineME512019-C0030014.39598525-
CreatinineCreatinineME512026-C007919.321011847-
CystathionineCystathionineME512104-C02291_C0054216.95922467-
Cysteine-S-sulfateCysteine-S-sulfateME512112-C0582418.74553697-
CystineCystineME512063-C01420_C0049116.3815649-
CytidineCytidineME512089-C00475_C0296111.81551364-
CytosineCytosineME512258-C0038011.39937678-
DesmosflavoneDasytrichoneME512199-C100357.055773817-
DehydrophytosphingosineDehydrophytosphingosineME512286--3.327664566-
DihydrothymineDihydrothymineME512045-C0090614.51054144-
DimethylglycineDimethylglycineME512192-C0102611.7955984-
Dopamine quinoneDopamine quinoneME512222-C1775515.31385964-
ErgothioneineErgothioneineME512206-C0557014.70565438-
Arg-OEtEthyl arginateME512153-C0140420.5412189-
FasoracetamFasoracetamME512098-C133118.422598572-
Folic acidFolic acidME512279-C0050417.24007832-
FructosamineFructosamineME512187--13.55125001-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME512101-C0528315.26498179-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME512105-C0513612.69221678-
GlucoseGlucoseME512052-C00031_C0022117.2701666-
Glu/Met/PheGlu-Met-PheME512154--11.3548578-
Glu/Ser/ValGlu-Ser-ValME512271--16.43319168-
GlutamineGlutamineME512025-C00819_C0006415.06112101-
GlutarylglycineGlutarylglycineME512220--9.691192627-
GlutathioneGlutathioneME512080-C00051_C0247127.08042506-
Guanidoacetic acidGuanidoacetic acidME512156-C0058115.77916001-
Heptaethylene glycolHeptaethylene glycolME512161--4.304025459-
HETE di-endoperoxideHETE di-endoperoxideME512219--3.174684761-
Hippuric acidHippuric acidME512046-C015867.103551403-
HistidineHistidineME512133-C06419_C0013514.54871584-
Homo-L-arginineHomoarginineME512100-C0192423.51190488-
2-Amino-5-(methylthio)pentanoic acidHomomethionineME512264-C1721316.25657535-
HypoxanthineHypoxanthineME512065-C002629.927632258-
Ile/Lys/ProIle-Lys-ProME512261--20.15170566-
IsoleucylprolineIle-ProME512204--9.230153344-
Imidazoleacetic acidImidazoleacetic acidME512247-C0283511.71763189-
Imidazoleacetic acid ribosideImidazoleacetic acid ribosideME512223-C0513113.23121781-
IndoleacetaldehydeIndoleacetaldehydeME512181-C006375.420926739-
Indolelactic acidIndolelactic acidME512057-C020438.157090977-
IndoxylIndoxylME512197-C056587.736745685-
IsoputreanineIsoputreanineME512276--15.87092904-
LenticinLenticinME512292-C092138.112739995-
LeucineLeucineME512124-C01570_C00123_C1643910.60739876-
LysoPC(18:1)LPC 18:1ME512176-C03916_C042303.792150494-
LysineLysineME512135-C00739_C0004721.82268853-
Lysyl-ValineLys-ValME512050--21.08725731-
MannitolMannitolME512069-C0039213.90828096-
Met/Cys/ProMet-Cys-ProME512085--9.00081081-
MethionineMethionineME512027-C01733_C00855_C0007311.15351144-
Methyl cinnamateMethyl cinnamateME512254-C063583.730180422-
Methylimidazoleacetic acidMethylimidazoleacetic acidME512213-C0582812.53592616-
Met/Phe/GlyMet-Phe-GlyME512119--11.22611147-
Muramic acidMuramic acidME512078-C0647013.52307109-
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME512188--14.96245244-
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME512260--8.028132337-
TheanineN(5)-Ethyl-glutamineME512075-C0104712.9854548-
N6-Acetyl-L-lysineN6-AcetyllysineME512097-C0272712.18653942-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME512239-C0395510.12375958-
N(6)-MethyllysineN(6)-MethyllysineME512189-C0272821.33944284-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME512177-C05545 _C0554520.35975237-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME512049-C0379320.71111433-
N-acetyl-9-O-acetylneuraminateN,9-O-DiacetylneuraminateME512290-C0401714.99423896-
N-acetyl-L-2-aminoadipate(2-)N-Acetyl-2-aminoadipic acidME512207-C1298611.4471995-
N-a-Acetyl-L-arginineN-AcetylarginineME512267--14.23607962-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME512041-C0104215.01958337-
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME512058-C1227017.19520506-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME512284-C0113314.64225438-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME512115--11.49711072-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME512081-C012507.127906218-
N-Acetylglutamic acidN-Acetylglutamic acidME512082-C0062414.44547577-
N-AcetylneuraminateN-Acetylneuraminic acidME512061-C0027016.35840159-
N-Acetylneuraminic acidN-Acetylneuraminic acidME512074-C1991013.73715339-
N-AcetylvanilalanineN-AcetylvanilalanineME512099--8.099926288-
NADNAD+ME512070-C0000313.74737572-
N-hydroxyisoleucineN-hydroxyisoleucineME512157--11.74021573-
N-hydroxyvalineN-Hydroxy-valineME512280--8.326837045-
Nalpha-MethylhistidineN-MethylhistidineME512155-C0329812.8168795-
O-AcetylserineO-AcetylserineME512067-C0097910.95485402-
Octaethylene glycolOctaethylene glycolME512162--4.212858346-
OrnithineOrnithineME512054-C01602_C00077_C0051521.11633334-
Oxidized glutathioneOxidized glutathioneME512076-C0012717.35878836-
PA(35:6)PA 35:6ME512079--3.019796095-
Pantothenic acidPantothenic acidME512030-C008648.585185256-
PC(12:0/20:1)PC 12:0/20:1ME512150-C001573.297109549-
PC(14:0/20:2)PC 14:0/20:2ME512152-C001573.283296676-
PC(14:0/22:4)PC 14:0/22:4ME512184-C001573.244068109-
PC(14:1/22:2)PC 14:1/22:2ME512173-C001573.267344767-
PC(16:0/22:4)PC 16:0/22:4ME512169-C001573.275520942-
PC(16:0/22:5)PC 16:0/22:5ME512163-C001573.235439519-
PC(16:0/22:6)PC 16:0/22:6ME512183-C001573.211304256-
PC(18:1/18:1)PC 18:1/18:1ME512148-C001573.356916664-
PC(18:1/22:6)PC 18:1/22:6ME512186-C001573.194739229-
PE(15:0/20:2)PE 15:0/20:2ME512172-C003503.250589772-
PhenolsulfonphthaleinPhenolsulfonphthaleinME512028-C126007.115219044-
PhenylacetylglycinePhenylacetylglycineME512042-C055987.100746649-
PhenylalaninePhenylalanineME512123-C02265_C000799.674719069-
PhlorinPhlorinME512218--7.603304591-
O-PhosphoethanolaminePhosphoethanolamineME512240-C0034615.92103188-
PicolinamidePicolinamideME512029-C019507.154735413-
Pipecolic acidPipecolic acidME512137-C0040811.90244787-
PiperidinePiperidineME512145-C0174610.41285703-
ProlineProlineME512021-C00148_C0076312.42044413-
PS(16:0/18:0)PS 16:0/18:0ME512281--3.018827993-
PS(18:0/18:0)PS 18:0/18:0ME512228--3.01947403-
PS(18:0/18:2)PS 18:0/18:2ME512110--3.039664097-
PS(20:1/22:6)PS 20:1/22:6ME512277--2.992513168-
PS(22:5/22:5)PS 22:5/22:5ME512180--2.997079997-
PS(39:4)PS 39:4ME512102--3.042838106-
PS(41:6)PS 41:6ME512106--3.034194038-
PseudouridinePseudouridineME512107-C0206711.85724388-
psicoselysinePsicosyllysineME512066--16.91351971-
PyridoxalPyridoxalME512190-C002507.945792135-
PyridoxinePyridoxineME512024-C003147.559839972-
ATPA(S)-ATPAME512296-C137337.299075492-
SecologanateSecologanateME512275-C0195716.93820007-
SerineSerineME512060-C00716_C00740_C0006515.87182821-
SlaframineSlaframineME512202-C061859.065047874-
Glycerophosphocholinesn-Glycero-3-phosphocholineME512020-C0067013.80186622-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME512116-C0123315.41466238-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME512083-C0327413.17329006-
SorbitolSorbitolME512151-C0079413.95819757-
TarginineTarginineME512252-C0388421.68201428-
TaurineTaurineME512040-C0024515.7475191-
Tetracosahexaenoic acidTetracosahexaenoic acidME512210--4.074631529-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME512143-C0390112.99731298-
ThreonineThreonineME512037-C05519_C00820_C12317_C0018814.62395469-
trans-2-Tetradecenoylcarnitinetrans-2-TetradecenoylcarnitineME512235--3.962602743-
FA (13:2) tridecadienoic acidTridecadienoic acidME512212--3.710076262-
TriethanolamineTriethanolamineME512249-C067718.513761202-
TryptophanTryptophanME512032-C00806_C00078_C0052511.38716567-
Uridine diphosphate glucoseUDP-glucoseME512091-C00029_C0005216.72360586-
Uridine diphosphate glucuronic acidUDP-glucuronic acidME512096-C02330_C00617_C0016719.68507049-
UracilUracilME512093-C001068.36096908-
Uridine triphosphateUTPME512103-C0007518.77808337-
ValineValineME512126-C16436_C00183_C0641711.92265294-
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrah...-ME512084--10.93569065-
1,2-dioctanoyl-1,2,6-hexanetriol-ME512132--3.45713136-
1,2-dioctanoyl-1-amino-2,3-propanediol-ME512227--4.204754398-
1,6,8-trimethylallantoate-ME512211--23.04029529-
1-Isothiocyanato-7-(methylsulfinyl)heptane-ME512232--8.329742788-
20-hydroxy-fusarin-ME512164--3.528633372-
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohe...-ME512236--3.674879564-
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic ac...-ME512283--3.446068625-
2,5,6-Trihydroxy-5,6-dihydroquinoline-ME512087-C063398.445387777-
2-Aceto-2-hydroxybutanoic acid-ME512018-C06006_C0065911.83429003-
2-Diethylaminoethanol-ME512182--15.3071124-
2-hydroxysuccinamate-ME512053--15.41310314-
2-Hydroxyundecanoate-ME512017--4.278960845-
2-methylaminoacrylate-ME512195--14.73872003-
2-oxohexa-4,5-cyclopropyl-5-enoate-ME512071--7.333298042-
3,4-Dehydrothiomorpholine-3-carboxylate-ME512245-C044457.58372431-
3,4-dichloro-tridecanoic acid-ME512229--13.76691207-
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid-ME512200--3.15491397-
3,5-dibromocatechol-ME512230--16.03029633-
3-Aminobenzenesulfonate-ME512209-C063348.468617346-
3b,12a-Dihydroxy-5a-cholanoic acid-ME512059-C04483_C15515_C17687_C17660_C02528_C17662_C17646_C07880_C17664_C15517_C176614.060460542-
3-Indoleglycolaldehyde-ME512056-C032303.872291914-
3-(methylsulfanyl)acryloate-ME512257--11.65713181-
3-nitro-2-pentanol-ME512294--11.49567548-
3-Oxooctadecanoic acid-ME512108--3.371353803-
{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop...-ME512282--16.34701887-
4beta-Hydroxyobovatachromene-ME512287--11.26360191-
4-Hydroxyglutamate semialdehyde-ME512246-C0593817.15499425-
5,7-Dihydroxyflavone 7-benzoate-ME512234--15.0504403-
(5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)me...-ME512302--15.31005012-
5-guanidino-3-methyl-2-oxo-pentanoate-ME512191--13.40604106-
6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydro...-ME512068--7.116094753-
6,9,12,15,18,21-Tetracosahexaynoic acid-ME512113--3.428761916-
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3...-ME512238--10.86192859-
8-Oxocoformycin-ME512265-C022437.958630037-
9'-Carboxy-alpha-chromanol-ME512142--3.147540423-
Acetylcarnosine-ME512256--14.31501039-
Adrenochrome o-semiquinone-ME512131--12.8412371-
Ala/Asp/Asp/Asp/Glu-ME512244--4.916699982-
Ala/Cys/Ser/Thr/Thr-ME512255--11.57606659-
Ala/Glu/Glu/His/Arg-ME512300--16.08949696-
Ala/Met/Pro/Tyr-ME512092--7.956860962-
Ala/Phe/Lys/Arg/Arg-ME512216--3.028389165-
Ala/Thr/Ser/Tyr-ME512221--9.226063232-
aminocaproamide-ME512140--15.32506341-
Arg/Thr/Pro/Pro-ME512289--20.61604156-
Asp/Gly/His/Pro/Trp-ME512273--4.290866852-
Asp/Thr/Asp/His-ME512299--11.61922887-
benzodiazepinedione-ME512196--12.93229323-
biolumazine-ME512263--8.144029817-
CAPS-ME512160--8.574380871-
Chloropyramine-ME512090--3.543776263-
Cys/Asp/Glu/Pro/Thr-ME512291--13.01379445-
Cys/Met/Phe/His-ME512159--13.84178338-
deacetylcolchicine-ME512297--15.0105476-
Dihydrozeatin riboside monophosphate-ME512138-C164457.326868576-
dodecyltrimethylammonium-ME512146--8.499931925-
Duloxetine-ME512272--19.23376326-
eicoseneoylcarnitine-ME512179--3.585953036-
formylaminopyrimidine-ME512039--7.119279989-
Fulvinervin B-ME512134--9.767378047-
furaneol glucopyranoside-ME512298--16.03904165-
Gallagic acid-ME512259--16.75710778-
Glu/Ile/Pro/Pro/Tyr-ME512262--3.117830973-
Glu/Met/Met/Tyr-ME512170--7.097808293-
glutamyl-L-alaninol-ME512242--12.77725308-
hydrogen acetylphosphonate-ME512231--13.84248388-
hydroxy-N-acetyl-(L)-arginine-ME512073--12.61331913-
Ile/Thr/Ser/Ser-ME512178--9.346748034-
malyl alpha-D-glucosaminide-ME512114--16.51500741-
Maximaisoflavone B-ME512233--10.53080495-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...-ME512048-C122458.731293771-
metoprine-ME512253-D003099.67577192-
Montalicin A-ME512086--3.035499483-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME512038--8.830106818-
N-(1-Deoxy-1-fructosyl)tyrosine-ME512072--12.73217044-
N-(1-Deoxy-1-fructosyl)valine-ME512047--10.92343268-
N2-Fructopyranosylarginine-ME512033--17.07571726-
N-(2-hydroxytridecanoyl)-4,8-sphingadienine-ME512268--3.470796288-
N-(2-hydroxyundecanoyl)-4,8-sphingadienine-ME512251--3.523007549-
N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)...-ME512301-C013149.17302653-
N-Acetyldjenkolic acid-ME512122--13.93284166-
N-Desmethylaminopyrine-ME512201--11.39538467-
N-hydroxy-L-pipecolate-ME512224--12.70402036-
N-lactoyl-Tryptophan-ME512094--7.126369147-
N,N-dihydroxyhomomethionine-ME512217--7.911130524-
norcisapride-ME512175--8.236351075-
Octadecyl fumarate-ME512064--3.262378479-
Oxomemazine-ME512274--16.14207386-
PC(MonoMe(11,3)/MonoMe(11,3))-ME512208--3.002416034-
PE(16:0/16:0(9Cp))-ME512185-C003503.264510228-
Penicilloic acid-ME512034--8.743831961-
phenyl sulfoxide-ME512166--17.25199407-
Phe/Phe/Ile/Met/Pro-ME512226--3.086838871-
Pyrogallol-2-O-glucuronide-ME512121--9.763692983-
stipitatonate-ME512171-C0208018.77348497-
sulfonic acid-ME512118--12.99562208-
tembetarine-ME512295--21.10919354-
tirandamycin E-ME512288--3.664183384-
triethylene glycol-ME512250--3.812370402-
Xanthoplanine-ME512167--10.75569015-


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
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME512362-C03912_C0432215.88918657-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME512338--3.161508557-
trans-Dodec-2-enoic acid2E-Dodecenoyl-CoAME512376--3.500859618-
2-Hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME512321--7.108502625-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME512347-C02630_C03196_C0108715.75216405-
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME512337--7.070613451-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME512372-C0059614.45636786-
2-Methylacetophenone2-MethylacetophenoneME512367-C078743.135650011-
Oxoglutaric acid2-Oxoglutaric acidME512322-C0002616.37010951-
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME512345-C034613.460189578-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME512394--7.771898571-
3-Dehydroquinate3-DehydroquinateME512370-C0094411.35446382-
4-Hydroxybutyric acid4-Hydroxybutyric acidME512382-C00989_C019918.369294712-
4-Hydroxymethylphenylhydrazine4-(Hydroxymethyl)phenylhydrazineME512433-C039948.724079955-
4-Hydroxy tolbutamide4-Hydroxy tolbutamideME512326--7.095651136-
5-Hydroxypentanoic acid5-Hydroxyvaleric acidME512320-C028047.103630397-
5-Pyridoxolactone5-PyridoxolactoneME512432-C060528.058618969-
AllantoinAllantoinME512391-C02348_C01551_C0235014.53762469-
alpha-Ironealpha-IroneME512371-C09690_C113503.547197914-
ArabitolArabitolME512395-C01904_C00379_C0047412.87033433-
Arachidonic acidArachidonic acidME512368-C002193.281464965-
Capric acidCapric acidME512339-C015713.596974163-
Caprylic acidCaprylic acidME512361-C064233.907744993-
CarmustineCarmustineME512412-C0687315.93302334-
Citric acidCitric acidME512351-C0015820.08283747-
DeoxyuridineDeoxyuridineME512424-C005267.847187321-
EthiinEthiinME512408--10.80382397-
FructoseFructoseME512327-C0009514.40087026-
GalactoseGalactoseME512346-C00124_C0098413.5749462-
gamma-Glutamylvalinegamma-GlutamylvalineME512401--10.68083218-
xi-gamma-Undecalactonegamma-UndecalactoneME512305-C085713.558906405-
Glyceric acidGlyceric acidME512418-C0025812.27347293-
Hydroxyphenyllactic acidHydroxyphenyllactic acidME512317-C03964_C036729.450041504-
Hydroxypyruvic acidHydroxypyruvic acidME512413-C0016816.46751265-
IndolepyruvateIndolepyruvateME512381-C003317.353284103-
alpha-Ketoisovaleric acidKetoisovaleric acidME512309-C001417.10670915-
Lactic acidLactic acidME512306-C00186_C0025610.13644117-
Dodecanoic acidLauric acidME512330-C026793.463230851-
Malic acidMalic acidME512312-C00497_C00149_C0366816.65847421-
Malonic semialdehydeMalonic semialdehydeME512421-C0022213.62964068-
Heptadecanoic acidMargaric acidME512357--3.271379611-
Myristic acidMyristic acidME512323-C064243.382174149-
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME512342-C0107314.28775001-
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME512340-C0377610.35212314-
N-NitrosoprolineN-NitrosoprolineME512409-C1948512.12903341-
Norepinephrine sulfateNorepinephrine sulfateME512428--7.668728823-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME512328--3.211651385-
FA (18:2)Octadecadienoic acidME512356--3.284199187-
octadecenoic acidOctadecenoic acidME512331--3.2619292-
PA(30:3)PA 30:3ME512416--7.805638631-
Palmitic acidPalmitic acidME512308-C002493.32601752-
Palmitoleic acidPalmitoleic acidME512369-C083623.334053842-
PG(16:0/18:1)PG 16:0/18:1ME512393-C138833.028012828-
PG(16:0/18:2)PG 16:0/18:2ME512415--3.016393593-
PG(18:1/22:6)PG 18:1/22:6ME512366--3.0024314-
PG(22:6/22:6)PG 22:6/22:6ME512348--2.99679601-
Phenol sulphatePhenyl hydrogen sulfateME512380-C021805.309787656-
Phenyllactic acidPhenyllactic acidME512316-C05607_C014797.084584743-
Phosphohydroxypyruvic acidPhosphohydroxypyruvic acidME512397-C0323218.75098314-
PhytuberinPhytuberinME512336-C097093.464732501-
PI(16:0/20:2)PI 16:0/20:2ME512383-C006263.054793588-
PI(16:0/22:4)PI 16:0/22:4ME512365-C006263.061334804-
PI(18:1/20:4)PI 18:1/20:4ME512402-C006263.054192949-
Pimelic acidPimelic acidME512343-C026567.077614568-
PS(37:1)PS 37:1ME512379--3.050147219-
GlucosylsphingosinePsychosineME512405-C03108_C017473.838716703-
Pyruvic acidPyruvic acidME512341-C000228.722157949-
SecobarbitalSecobarbitalME512429--27.43339579-
Glycerol 3-phosphatesn-Glycero-3-phosphateME512353-C00093_C0062313.84512806-
Stearic acidStearic acidME512310-C015303.246804612-
Succinic acidSuccinic acidME512332-C0004215.74360317-
Tridecanoic acidTridecylic acidME512390-C13795_C170763.423654588-
TyrosineTyrosineME512319-C06420_C00082_C0153612.83627084-
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME512398-C00203_C01170_C0004315.24774466-
Undecanoic acidUndecylic acidME512350-C177153.515979163-
10-hydroxy-undecanoic acid-ME512303--6.747055435-
12-epi-hapalindole F (isothiocyanate)-ME512399--13.81649495-
1-carboxymethylpyridinium-ME512417--11.16362587-
1-Nitrohexane-ME512313--10.79952876-
1-thio--D-glucose-ME512410--8.778218825-
2-C-Methyl-D-erythritol 4-phosphate-ME512311-C1143414.96806125-
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid-ME512335-C053508.385433907-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME512392-C0469020.23195511-
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosp...-ME512403-C0475214.37275728-
(2R,4S)-2,4-Diaminopentanoate-ME512389-C0394323.03578827-
3''-Chloro-3''-deoxytriphasiol-ME512307--3.627830949-
3-Ethylmalate-ME512355-C0198914.60568194-
4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3...-ME512386--8.93506457-
4'-methoxycyclopenine-ME512425--10.80565907-
4-methylmorpholine N-oxide-ME512318--12.13419421-
5-Dehydro-4-deoxy-D-glucarate-ME512315-C03921_C0067918.90055817-
5-Sulfoxymethylfurfural-ME512324--7.284512716-
ADP-Mannose-ME512430-C06192_C0049817.94553856-
Ala/Cys/His/Asn/Gln-ME512385--8.652001415-
Ala/Ile/Ile/Val/Val-ME512431--27.43679988-
Ala/Leu/Arg/Arg-ME512333--27.48684565-
Ala/Met/Thr/Asp-ME512358--9.649399143-
a phenothiazine-ME512375--12.43674032-
Argenonic acid-ME512329--3.542794177-
ascr#24-ME512359--3.396561598-
Asp/Arg/Arg/Thr/Tyr-ME512400--3.821107156-
aureothricin-ME512438--17.62434726-
Brassicanal B-ME512441--27.61085002-
casuarine-ME512426--7.963531494-
cis-Acetylacrylate-ME512411-C0709113.56483113-
Cyclovariegatin-ME512387--12.56676658-
Cys/Lys/Lys/Gln/Arg-ME512414--7.855500002-
Cys/Met/Met/Met/Trp-ME512354--3.813488476-
FA methyl(14:0)-ME512364-C166653.347543335-
FA methyl(8:0)-ME512325--3.710087477-
FA oxo(16:0)-ME512404--3.419472641-
FMPP-ME512422--8.119407868-
Gln/Leu/Lys/Tyr-ME512439--17.24690023-
Glyceryl lactopalmitate-ME512436--20.53603035-
His/Met/Phe/Gly-ME512437--13.9218611-
hydroxypyridine N-oxide-ME512423--20.14791667-
indole-3-acetyl-isoleucine-ME512334--3.636291665-
Koryoginsenoside R1-ME512378--2.996265169-
Lys/Lys/Lys/Met/Tyr-ME512374--3.611557562-
N-(1-Deoxy-1-fructosyl)proline-ME512427--16.02846137-
N3-hydroxyethylcytosine-ME512344--14.51896763-
N-Desmethylzopiclone-ME512352--8.732777681-
Neryl formate-ME512363-C122943.650137108-
N-phosphocreatinate(2-)-ME512407--15.22785346-
PGP(a-13:0/i-22:0)-ME512419--2.999292086-
Phe/Ile/Met/Arg/Val-ME512388--3.845030987-
potassium dihydrogen phosphate-ME512360--17.24727789-
pyrithiamine phosphate-ME512420--16.25146342-
Quercetin 3'-sulfate-ME512434-C0061617.20738864-
(R) 2,3-Dihydroxy-3-methylvalerate-ME512406-C06007_C041047.526426668-
rCdRP-ME512440--17.36391602-
Ribitol 5-phosphate-ME512373-C03509_C02883_C01068_C0289517.27354028-
sodium dodecyl sulfate-ME512304--3.235886269-
Trifluoroacetic acid-ME512384--14.61638028-
tunicamine-ME512377--14.25796231-
tyrosinal-ME512314--9.671934616-
UDP-2-acetamido-3-acetamidino-2,3-dideoxy--D-mannu...-ME512349--7.333868069-
Viscutin 1-ME512396--13.55056712-
Voglibose-ME512435--14.13967997-


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