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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
mebutamate-ME388904--12.272-
2-ETHYL-4,5-DIMETHYLOXAZOLE-ME388811--12.274-
carisoprodolCarisoprodolME388852--14.622-
PPG n8-ME388942--15.202-
PPG n9-ME388943--16.034-
Bis(methylbenzylidene)sorbitol-ME388846--16.458-
PPG n10 (2)-ME388941--16.567-
4-Imidazolemethanol (2)-ME388823--16.598-
PPG n10-ME388940--16.65-
1H-Imidazol-2-ol-ME388799--16.806-
1H-Imidazol-2-ol (2)-ME388800--16.872-
3-Aminopyrrolidine-ME388816--17.005-
l-HistidinalHistidinalME388893--17.102-
Pyrimidine (2)PyrimidineME388951--17.234-
4-Imidazolemethanol-ME388822--17.253-
PyrimidinePyrimidineME388950--17.269-
CadaverineCadaverineME388849--1.733-
Sulfuric acid-ME388957--1.738-
Furfural2-FurancarboxaldehydeME388869--1.739-
2'-Deoxycytosine-ME388809--17.406-
MuscimolMuscimolME388913--17.447-
lawsone-ME388889--1.756-
MA4000000-ME388902--1.768-
StreptamineStreptamineME388955--1.771-
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol-ME388805--1.789-
HistamineHistamineME388878--1.792-
N-methylethanolamine phosphate (2)N-Methylethanolamine phosphateME388928--1.814-
NJ5000000-ME388926--1.829-
spinacineSpinacineME388954--1.855-
(15R,27R)-18,21,24-Trihydroxy-2,50-dimethyl-27-{[(...-ME388713--1.865-
Kanosamine-ME388882--1.865-
1-(5-Decanoyl-4-nonyl-1,4-dihydro-3-pyridinyl)-1-d...-ME388794--1.868-
2-Hydroxyhippuric acidSalicyluric acidME388813--1.872-
N6-METHYLLYSINEN(6)-MethyllysineME388920--1.885-
3,4-Diaminopyridine-ME388814--1.887-
L-HistidineHistidineME388894--1.887-
D-GlucosamineGlucosamineME388859--1.888-
6-Oxo-pipecolinic acid-ME388832--1.889-
L-(-)-SerineSerineME388884--1.904-
tiaprideTiaprideME388960--1.904-
Maleamic acidMaleamateME388903--1.908-
N~6~,N~6~-DimethyllysineN(6),N(6)-Dimethyl-lysineME388919--1.917-
L-(+)-Aspartic acidAspartic acidME388886--1.918-
4-guanidinobutanal4-GuanidinobutanalME388818--1.924-
DL-ArginineArginineME388864--1.926-
DehydroglycineDehydroglycineME388858--1.929-
L-ProlineProlineME388895--1.929-
3-Pyrroline-ME388817--1.934-
DL-AlanineAlanineME388863--1.942-
Methylol Dimethylhydantoin-ME388908--1.956-
Methylimidazoleacetic acidMethylimidazoleacetic acidME388907--1.959-
NI3400000-ME388924--1.96-
L-Pyroglutamic acid (2)Pyroglutamic acidME388897--1.969-
ThreonineThreonineME388959--1.973-
NPYR-ME388929--1.976-
D-(-)-GlutamineD-GlutamineME388855--1.978-
LU3453000-ME388899--1.982-
HexitolSorbitolME388876--1.983-
D-(+)-GlucoseGlucoseME388856--1.992-
(Z)-dehydrobutyrine-ME388718--1.994-
2,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONE-ME388801--1.998-
TriethanolamineTriethanolamineME388963--2.002-
L-Glutamic acidGlutamic acidME388892--2.005-
Succinyl prolineSuccinylprolineME388956--2.013-
5-Oxotetrahydrofuran-2-carboxylic acid-ME388829--2.015-
Muramic acidMuramic acidME388912--2.015-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME388803--2.023-
4-Morpholinylacetic acid-ME388824--2.03-
Kanosamine (2)-ME388883--2.031-
Oxaceprol-ME388933--2.032-
arg-alaArg-AlaME388842--2.037-
DL-CitrullineCitrullineME388865--2.052-
Methionine sulfoxideMethionine sulfoxideME388906--2.052-
2'-DeoxyadenosineDeoxyadenosineME388808--2.054-
CholineCholineME388853--2.055-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME388716--2.059-
BenserazideBenserazideME388843--2.06-
Ofloxacin ethyl ester-ME388932--2.06-
MiglitolMiglitolME388911--2.061-
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOI...-ME388828--2.062-
N-methylethanolamine phosphateN-Methylethanolamine phosphateME388927--2.08-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME388975--2.083-
N-Acetylneuraminic acidN-Acetylneuraminic acidME388922--2.09-
Aminolevulinic acidAminolevulinic acidME388840--2.091-
Viloxazine-ME388974--2.098-
6-OxolysineHomoglutamineME388831--2.099-
BetaineBetaineME388844--2.1-
N,N-diacetyllegionaminic acid (2)-ME388917--2.103-
DeanolDimethylethanolamineME388857--2.111-
PyridoxaminePyridoxamineME388949--2.119-
ala-serAla-SerME388838--2.122-
aldehydo-D-glucosamine 6-phosphate-ME388839--2.141-
5-(4-Hydroxybutyl)-2,4-imidazolidinedione-ME388826--2.145-
TetraacetylethylenediamineTetraacetylethylenediamineME388958--2.148-
DihydrothymineDihydrothymineME388861--2.15-
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME388793--2.152-
L-TheanineN(5)-Ethyl-glutamineME388898--2.154-
Bicine-ME388845--2.165-
(Z)-dehydrobutyrine (2)-ME388719--2.167-
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME388796--2.17-
glutaralGlutaralME388872--2.172-
RV0540000-ME388953--2.173-
ProlineProlineME388948--2.174-
L-(+)-AlanineAlanineME388885--2.175-
LysylvalineLys-ValME388901--2.192-
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOI...-ME388827--2.196-
HIDA-ME388877--2.206-
1,1'-(2,5-Pyrazinediyl)di(1,2,3,4-butanetetrol)-ME388795--2.225-
Timonacic-ME388962--2.238-
val-asnVal-AsnME388970--2.251-
2,4,6-triaminotoluene2,4,6-TriaminotolueneME388802--2.255-
2-Acetamido-2-deoxyglucose-ME388804--2.26-
ALA-PROAla-ProME388837--2.273-
Piracetam (2)PiracetamME388939--2.287-
APMAla-Pro-MetME388841--2.301-
Imidazolelactic acidImidazolelactic acidME388880--2.324-
6-Oxo-pipecolinic acid (2)-ME388833--2.345-
4-Hydroxyprolylthreonine-ME388821--2.346-
3-amino-2,3-dideoxy-scyllo-inosose3-Amino-2,3-dideoxy-scyllo-inososeME388815--2.366-
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-m...-ME388717--2.371-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME388915--2.38-
pro-glnPro-GlnME388944--2.405-
Pro-GluPro-GluME388946--2.423-
ethyl argininate-ME388868--2.451-
4-Hydroxyprolylalanine-ME388819--2.458-
melamineMelamineME388905--2.46-
L-Aspartic acidAspartic acidME388888--2.465-
MFCD01664827-ME388910--2.471-
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)t...-ME388797--2.478-
Gly-l-pro-ME388873--2.501-
NicotinamideNiacinamideME388925--2.521-
2-Hydroxyfelbamate2-HydroxyfelbamateME388812--2.522-
UB6600000 (2)-ME388968--2.542-
Pro-Glu (2)Pro-GluME388947--2.555-
MFCD00037215-ME388909--2.575-
L-Alanyl-L-prolineAla-ProME388887--2.578-
Tiformin-ME388961--2.598-
val-argVal-ArgME388969--2.607-
CaprolactamEpsilon-caprolactamME388850--2.612-
N-AcetylputrescineN-AcetylputrescineME388923--2.62-
ISOXYL-ME388881--2.626-
PiracetamPiracetamME388938--2.675-
N,N-Diethylethanolamine-ME388918--2.695-
pro-gln (2)Pro-GlnME388945--2.724-
trimethadioneTrimethadioneME388966--2.78-
Aceturic acidN-AcetylglycineME388834--2.787-
PioglitazonePioglitazoneME388937--3.048-
N,N-diacetyllegionaminic acid-ME388916--3.063-
lys-leuLys-LeuME388900--3.07-
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amin...-ME388714--3.122-
HomocitrullineHomocitrullineME388879--3.132-
2'-deoxymugineic acid-ME388810--3.143-
(2S)-2-Piperazinecarboxamide-ME388715--3.21-
Alanylclavam-ME388836--3.22-
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMID...-ME388914--3.241-
Reduced GlutathioneGlutathioneME388952--3.243-
Triisopropanolamine-ME388965--3.257-
g-Guanidinobutyrate-ME388870--3.332-
UB6600000-ME388967--3.535-
Diethylene glycolDiethylene glycolME388860--3.618-
L-Pyroglutamic acidPyroglutamic acidME388896--3.636-
Veronal5,5-Diethylbarbituric acidME388971--3.639-
TriethylamineTriethylamineME388964--3.838-
Veronal (3)5,5-Diethylbarbituric acidME388973--4.172-
2-Amino-4-[(4-aminobutyl)amino]butanoic acid-ME388806--4.187-
GuvacineGuvacineME388875--4.189-
AdipamideAdipamideME388835--4.276-
pentobarbital (3)PentobarbitalME388936--4.285-
Veronal (2)5,5-Diethylbarbituric acidME388972--4.537-
glu-proGlu-ProME388871--4.641-
11-Aminoundecanoic acid11-Aminoundecanoic acidME388798--5.12-
2-Aminonicotinic acid2-Aminonicotinic acidME388807--5.325-
pentobarbital (2)PentobarbitalME388935--5.662-
pentobarbitalPentobarbitalME388934--6.446-
Gly-LysGly-LysME388874--6.453-
EJ4025000-ME388866--6.547-
(±)-Abscisic acidAbscisic acidME388712--6.617-
4-Morpholinylacetic acid (2)-ME388825--6.689-
Leu-LeuLeu-LeuME388890--7.616-
Leu-ValLeu-ValME388891--7.771-
4-Hydroxyprolylleucine-ME388820--7.776-
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleu...-ME388830--8.112-
capuride-ME388851--8.61-
Butoctamide semisuccinate (2)-ME388848--8.658-
EJ4025000 (2)-ME388867--8.892-
Dimethyl octanediimidate-ME388862--8.894-
nylon cyclic dimer (2)-ME388931--8.984-
CyclohexylamineCyclohexylamineME388854--8.986-
nylon cyclic dimer-ME388930--9.213-
Butoctamide semisuccinate-ME388847--9.226-
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME388921--9.685-


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Bisphenol S4,4'-SulfonyldiphenolME389042--12.231-
Fenson-ME389053--15.934-
GalactosamineGalactosamineME389054--1.815-
N-hexadecanoylsphinganineCer 18:0;O2/16:0ME389069--1.826-
L-HistidineHistidineME389061--1.83-
DL-ArginineArginineME389049--1.857-
Bluensidine-ME389043--1.858-
DL-Arginine (2)ArginineME389050--1.859-
L-Aspartic acidAspartic acidME389058--1.87-
L-Aspartic acid (2)Aspartic acidME389059--1.873-
DL-GlutamineGlutamineME389051--1.876-
D-(-)-GlutamineD-GlutamineME389044--1.878-
D-(+)-GlucoseGlucoseME389046--1.913-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME389035--1.916-
D-Glucono-delta-lactone-ME389047--1.919-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME389074--1.931-
L-Glutamic acidGlutamic acidME389060--1.932-
N-Methyl-<scp>D</scp>-aspartic acid-ME389070--1.936-
Gluconic acid (2)Gluconic acidME389056--1.941-
N-(3-Carboxy-3-hydroxypropyl)-4-[(carboxymethyl)am...-ME389064--1.947-
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)dihydro-2(...-ME389037--1.948-
Gluconic acidGluconic acidME389055--1.951-
(2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxyme...-ME388979--1.954-
6-deoxyinosine 5'-phosphate-ME389040--1.963-
(±)-Ibotenic acid-ME388976--1.976-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME388980--1.996-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389067--2.027-
AC-benzyl-ME389041--2.045-
OrotidineOrotidineME389071--2.073-
D-(-)-Glutamine (2)D-GlutamineME389045--2.08-
neuraminic acidNeuraminic acidME389068--2.114-
Trabodenoson-ME389073--2.159-
4-Hydroxyprolylthreonine-ME389038--2.292-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME389065--2.326-
L-(-)-Malic acidMalic acidME389057--2.412-
Dinoterb-ME389048--2.515-
MFCD00037215-ME389062--2.515-
(1R,2R,3S,5R,7R)-2-Acetamido-7-(1,2-dihydroxyethyl...-ME388978--2.613-
Ethylene glycol tetraacetic acid-ME389052--2.998-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389033--3.086-
1-[5-(2,3,4-Trihydroxybutyl)-2-pyrazinyl]-1,2,3,4-...-ME389034--3.09-
(1R,2R,3S,5R,7R)-2-Acetamido-7-(1,2-dihydroxyethyl...-ME388977--3.506-
4-Oxoproline4-Oxo-prolineME389039--3.595-
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME389066--4.216-
shinorine-ME389072--6.556-
MidodrineMidodrineME389063--8.065-
3-(3,4-dihydroxyphenyl)lactamide-ME389036--8.838-


Analysis: Normal phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Dibutyl phthalateDibutyl phthalateME389236--19.046-
Lauramide-ME389282--19.049-
Cyprodenate (2)-ME389229--19.085-
NPYR (2)-ME389335--19.479-
NPYR-ME389334--19.661-
Desoxymycin-ME389232--2.743-
Ethephon-ME389246--2.746-
(+)-Eudesmin-ME389075--2.751-
Butoctamide semisuccinate-ME389219--2.764-
Cyprodenate-ME389228--2.79-
N-UndecanoylglycineN-UndecanoylglycineME389338--2.817-
TriethylamineTriethylamineME389369--2.914-
2-Amino-1H-benzimidazole-ME389173--2.93-
2-(Diethylamino)ethanol (2)-ME389165--2.953-
CyclohexylamineCyclohexylamineME389227--2.984-
GabapentinGabapentinME389248--3.015-
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)-ME389166--3.017-
Triethylamine (2)TriethylamineME389370--3.026-
2-(Diethylamino)ethanol-ME389164--3.053-
11-Aminoundecanoic acid11-Aminoundecanoic acidME389163--3.072-
butalbitalButalbitalME389218--3.104-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389160--3.121-
Caprolactam (3)Epsilon-caprolactamME389222--3.137-
Dulcin-ME389245--3.165-
Veronal5,5-Diethylbarbituric acidME389380--3.165-
DL-CarnitineCarnitineME389240--3.172-
nylon cyclic dimer-ME389339--3.189-
(2S)-2-Piperazinecarboxamide (2)-ME389078--3.19-
g-Guanidinobutyrate-ME389253--3.193-
UB6600000-ME389377--3.197-
ZV4-ME389383--3.204-
MFCD00041932-ME389303--3.205-
4-Aminopyridine4-AminopyridineME389188--3.25-
pentobarbitalPentobarbitalME389344--3.252-
Gly-LysGly-LysME389260--3.255-
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMID...-ME389313--3.258-
PEG-4-ME389342--3.263-
N-MethylglutamateN-Methyl-glutamic acidME389332--3.265-
2,4,6-triaminotoluene2,4,6-TriaminotolueneME389167--3.269-
Caprolactam (2)Epsilon-caprolactamME389221--3.294-
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol-ME389175--3.3-
gaboxadol-ME389249--3.309-
g-Butyrobetaine3-DehydroxycarnitineME389252--3.344-
Pulcherriminic acidPulcherriminic acidME389352--3.348-
trimethylglycineBetaineME389375--3.352-
Oryzalin metabolite-ME389340--3.368-
lentiginosineLentiginosineME389283--3.381-
MidodrineMidodrineME389306--3.394-
ButabarbitalButabarbitalME389217--3.446-
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-m...-ME389084--3.447-
NI3400000-ME389327--3.464-
4-Morpholinylacetic acid-ME389192--3.467-
CholineCholineME389224--3.468-
N-AcetylputrescineN-AcetylputrescineME389326--3.473-
Aminolevulinic acid (3)Aminolevulinic acidME389206--3.486-
MA4000000-ME389299--3.491-
PYRIDOXAMINEPyridoxamineME389353--3.491-
CaprolactamEpsilon-caprolactamME389220--3.494-
TriethanolamineTriethanolamineME389368--3.501-
trimethadione (4)TrimethadioneME389374--3.501-
4,6-Dimethyl-2(1H)-pyrimidinone-ME389185--3.51-
metharbitalMetharbitalME389301--3.511-
4-Imidazolemethanol-ME389190--3.515-
gamma-Aminobutyric acidgamma-Aminobutyric acidME389251--3.519-
L-Alanyl-L-prolineAla-ProME389278--3.52-
TetraacetylethylenediamineTetraacetylethylenediamineME389362--3.52-
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-o...-ME389183--3.523-
PhenylhydrazinePhenylhydrazineME389345--3.525-
4-Nitroaniline (2)4-NitroanilineME389194--3.534-
tert-Butyl 3-amino-1-methyl-2,3-dioxopropylcarbama...-ME389361--3.557-
2-Hydroxyfelbamate2-HydroxyfelbamateME389180--3.575-
glu-proGlu-ProME389254--3.594-
pro-glnPro-GlnME389349--3.599-
4,6-Dimethyl-2(1H)-pyrimidinone (2)-ME389186--3.601-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME389161--3.612-
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME389082--3.613-
L-Alanyl-L-proline (2)Ala-ProME389279--3.613-
Gly-l-pro-ME389259--3.634-
YU0650000-ME389382--3.634-
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME389187--3.644-
2-Acetamido-2-deoxyglucose (2)-ME389172--3.646-
MiglitolMiglitolME389307--3.646-
Tiformin-ME389366--3.647-
Fucosamine-ME389247--3.648-
CoprineCoprineME389226--3.656-
PicolinamidePicolinamideME389347--3.669-
Boc-Asn-Oh-ME389216--3.671-
Veronal (2)5,5-Diethylbarbituric acidME389381--3.672-
Imidazolepropionic acidImidazolepropionic acidME389270--3.673-
HomocitrullineHomocitrullineME389267--3.677-
4-Nitroaniline4-NitroanilineME389193--3.725-
THP(A)-ME389363--3.734-
tin(ii) hydride-ME389367--3.735-
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME389376--3.781-
(±)-Abscisic acidAbscisic acidME389076--3.806-
L-Alanyl-L-proline (3)Ala-ProME389280--3.841-
ParacetamolAcetaminophenME389341--3.867-
Glycyl-4-hydroxyproline-ME389258--3.923-
agmatine (2)AgmatineME389202--4.054-
L-TheanineN(5)-Ethyl-glutamineME389295--4.054-
trimethadione (2)TrimethadioneME389372--4.059-
Val-lysVal-LysME389379--4.072-
DL-GlutamineGlutamineME389241--4.083-
N,N-dimethylarginineDimethylarginineME389317--4.103-
GalactosamineGalactosamineME389250--4.139-
Kanosamine-ME389271--4.14-
2-Oxo-4-pentenoic acid-ME389181--4.157-
Arg-pro (2)Arg-ProME389213--4.157-
Pyrogallol1,2,3-TrihydroxybenzeneME389354--4.17-
NJ5000000-ME389329--4.173-
muramic acid (3)Muramic acidME389310--4.179-
MA4000000 (2)-ME389300--4.183-
LU3453000 (2)-ME389297--4.189-
trimethadioneTrimethadioneME389371--4.193-
N,N-diacetyllegionaminic acid-ME389314--4.195-
nicotianamine(R,S,S)-NicotianamineME389328--4.211-
muramic acid (2)Muramic acidME389309--4.289-
N~6~,N~6~-DimethyllysineN(6),N(6)-Dimethyl-lysineME389320--4.305-
D-GlucosamineGlucosamineME389233--4.32-
glu-thrGlu-ThrME389255--4.321-
2'-deamino-2'-hydroxy-6'-dehydroparomamine-ME389176--4.325-
CarbofuranCarbofuranME389223--4.335-
6-Oxolysine (2)HomoglutamineME389197--4.381-
N,N-diacetyllegionaminic acid (2)-ME389315--4.402-
ala-serAla-SerME389203--4.411-
Homo-L-arginine (2)HomoarginineME389269--4.415-
BetaineBetaineME389214--4.417-
arg-alaArg-AlaME389211--4.43-
N6-METHYLLYSINE (2)N(6)-MethyllysineME389322--4.462-
2'-deoxymugineic acid-ME389178--4.483-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME389169--4.507-
Kanosamine (2)-ME389272--4.524-
ThreonylserineThr-SerME389365--4.524-
Muramic acidMuramic acidME389308--4.526-
trimethadione (3)TrimethadioneME389373--4.576-
N,N-diacetyllegionaminic acid (3)-ME389316--4.583-
2'-deoxymugineic acid (2)-ME389179--4.615-
LysylvalineLys-ValME389298--4.683-
val-argVal-ArgME389378--4.69-
DL-Arginine (3)ArginineME389239--4.745-
N,N-DimethylglycineDimethylglycineME389318--4.765-
ProlineProlineME389350--4.779-
N-methylethanolamine phosphateN-Methylethanolamine phosphateME389331--4.821-
GuvacineGuvacineME389261--4.831-
Betaine (2)BetaineME389215--4.832-
agmatineAgmatineME389201--4.851-
4-(2-Carboxy-1-azetidinyl)-N-(3-carboxy-3-hydroxyp...-ME389184--4.857-
β-Alanine (2)beta-AlanineME389385--4.875-
APMAla-Pro-MetME389210--4.952-
HEPESHEPESME389262--4.956-
L-(+)-AlanineAlanineME389276--5.008-
β-Alaninebeta-AlanineME389384--5.013-
4-Aminopyridine (2)4-AminopyridineME389189--5.034-
HistamineHistamineME389265--5.034-
HomoanserineHomoanserineME389266--5.035-
2-Acetamido-2-deoxyglucose-ME389171--5.055-
NJ5000000 (2)-ME389330--5.074-
Homo-L-arginineHomoarginineME389268--5.076-
pentetrazol-ME389343--5.086-
N6-METHYLLYSINEN(6)-MethyllysineME389321--5.108-
β-Alanine (3)beta-AlanineME389386--5.144-
Proline (2)ProlineME389351--5.167-
MFCD00037215-ME389302--5.184-
DL-Histidine (2)HistidineME389243--5.218-
Proacacipetalin-ME389348--5.232-
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)t...-ME389162--5.243-
Choline Alfoscerate-ME389225--5.292-
ACPC-ME389199--5.299-
LinamarinLinamarinME389289--5.299-
2,4-Dimethyloxazole-ME389168--5.304-
ThreonineThreonineME389364--5.323-
4-methylthio-2-oxobutanoic acid2-Oxo-4-methylthiobutanoic acidME389191--5.402-
ACPC (2)-ME389200--5.415-
L-Pyroglutamic acid (4)Pyroglutamic acidME389294--5.418-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389079--5.423-
DL-Arginine (2)ArginineME389238--5.428-
L-(+)-Aspartic acidAspartic acidME389277--5.428-
MFCD01664827-ME389305--5.452-
GlycineGlycineME389257--5.453-
S-Allyl propanethioate-ME389357--5.453-
D-(-)-GlutamineD-GlutamineME389230--5.53-
N-Nitrosoguvacoline-ME389333--5.563-
L-Pyroglutamic acidPyroglutamic acidME389291--5.57-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389080--5.643-
L-Pyroglutamic acid (3)Pyroglutamic acidME389293--5.753-
DL-ArginineArginineME389237--5.762-
(2Z)-2-Aminobut-2-enoate-ME389083--5.767-
L-(-)-SerineSerineME389275--5.773-
HexaconazoleHexaconazoleME389263--5.796-
L-Glutamic acid (2)Glutamic acidME389285--5.814-
Hexaconazole (2)HexaconazoleME389264--5.832-
L-Glutamic acid (3)Glutamic acidME389286--5.836-
(2S)-2-Piperazinecarboxamide-ME389077--5.846-
L-ProlineProlineME389290--5.862-
Muramic acid (5)Muramic acidME389312--5.864-
N-tetracosanoylsphinganine-1-phosphocholineSM 18:0;O2/24:0ME389337--5.866-
DL-HistidineHistidineME389242--5.903-
3,4-Diaminopyridine-ME389182--5.915-
DaminozideDaminozideME389231--5.951-
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME389195--5.958-
L-Glutamic acidGlutamic acidME389284--5.958-
L-Pyroglutamic acid (2)Pyroglutamic acidME389292--5.975-
spinacineSpinacineME389358--5.975-
L-(-)-AsparagineAsparagineME389274--6.009-
LU3453000-ME389296--6.01-
Aminolevulinic acid (4)Aminolevulinic acidME389207--6.012-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389081--6.014-
N-acetyl-LL-2,6-diaminopimelic acid-ME389324--6.015-
Muramic acid (4)Muramic acidME389311--6.03-
6-Oxo-pipecolinic acid-ME389198--6.037-
N-succinyl-LL-2,6-diaminopimelic acid-ME389336--6.042-
RG8841500-ME389356--6.046-
N~1~-Isopropyl-2-methylpropan-1,2-diamin-ME389319--6.051-
D-Glucosamine (2)GlucosamineME389234--6.06-
Kanosamine (3)-ME389273--6.06-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME389170--6.063-
Arg-proArg-ProME389212--6.068-
2-Amino-2-deoxy-4-O-beta-D-galactopyranosyl-D-gluc...-ME389174--6.07-
MFCD00055782-ME389304--6.076-
6-OxolysineHomoglutamineME389196--6.086-
D-SerineD-SerineME389244--6.126-
Aminolevulinic acidAminolevulinic acidME389204--6.133-
StreptamineStreptamineME389359--6.136-
L-Glutamic acid (4)Glutamic acidME389287--6.153-
Reduced GlutathioneGlutathioneME389355--6.203-
L-Glutamic acid (5)Glutamic acidME389288--6.205-
2'-DeoxyadenosineDeoxyadenosineME389177--6.224-
Aminolevulinic acid (6)Aminolevulinic acidME389209--6.257-
D-Glucosamine (3)GlucosamineME389235--6.297-
Streptamine (2)StreptamineME389360--6.316-
Aminolevulinic acid (2)Aminolevulinic acidME389205--6.338-
N-Acetyl-D-mannosaminolactoneN-AcetylmannosaminolactoneME389323--6.374-
Aminolevulinic acid (5)Aminolevulinic acidME389208--6.467-
[(1,2-Dioxo-1,2-ethanediyl)bis(oxy)]diammonium-ME389085--6.776-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389325--7.042-
L-Aspartic acidAspartic acidME389281--7.884-
Phenylisocyanate-ME389346--8.355-
glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME389256--8.367-


Analysis: Normal phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Orotidine (2)OrotidineME389542--10.097-
Fenson-ME389508--2.447-
N-UndecanoylglycineN-UndecanoylglycineME389540--2.5-
4,4'-Dihydroxydiphenylsulfone-ME389485--2.517-
Azelaic acidAzelaic acidME389499--2.567-
3-(3,4-dihydroxyphenyl)lactamide-ME389484--2.784-
N-Nitrosoguvacoline-ME389538--3.12-
ALA-PROAla-ProME389496--3.274-
Gly-l-pro-ME389515--3.35-
glu-proGlu-ProME389513--3.354-
N(2)-succinyl-L-ornithineN2-SuccinylornithineME389529--3.368-
4-Hydroxyprolylalanine-ME389486--3.371-
ALA-PRO (2)Ala-ProME389497--3.391-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME389530--3.711-
N,N-diacetyllegionaminic acid-ME389532--3.744-
L-TheanineN(5)-Ethyl-glutamineME389522--3.778-
val-argVal-ArgME389549--3.802-
GalactosamineGalactosamineME389509--3.809-
AlanylthreonineAla-ThrME389495--3.822-
LysylvalineLys-ValME389523--3.823-
GlycylglutamineGly-GlnME389514--3.852-
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopy...-ME389479--3.861-
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME389534--3.885-
2'-deamino-2'-hydroxy-6'-dehydroparomamine-ME389481--3.911-
N-acetyl-beta-D-glucosaminylamineN-Acetyl-beta-glucosaminylamineME389533--3.914-
muramic acid (2)Muramic acidME389527--4.019-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389475--4.167-
2'-deoxymugineic acid-ME389483--4.182-
Glu-GlyGlu-GlyME389512--4.214-
4-O-Acetyl-N-acetylmannosamine-ME389487--4.221-
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME389480--4.231-
Oxaceprol-ME389545--4.237-
muramic acidMuramic acidME389526--4.239-
ThreonylserineThr-SerME389548--4.249-
HexitolSorbitolME389517--4.258-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME389478--4.319-
7,8-dihydroneopterin 3'-phosphateDihydroneopterin phosphateME389490--4.354-
beta-D-hamamelose-ME389500--4.354-
Phosphoaspartate-ME389546--4.358-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389536--4.362-
D-Glucono-delta-lactone-ME389504--4.378-
(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6...-ME389387--4.582-
HEPESHEPESME389516--4.678-
6-(alpha-D-glucosaminyl)-1D-myo-inositol-ME389489--4.703-
Alanylclavam-ME389494--4.861-
ALA-GLUAla-GluME389492--4.884-
entecavir-ME389507--4.945-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389388--4.964-
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME389476--4.986-
ThreonineThreonineME389547--5.032-
N-Phenylacetyl pyroglutamic acid-ME389539--5.05-
L-Aspartic acid (2)Aspartic acidME389519--5.058-
MFCD01664827 (2)-ME389525--5.06-
DL-Arginine (2)ArginineME389506--5.159-
N(6)-MethyladenosineN6-MethyladenosineME389531--5.191-
4-Oxoproline4-Oxo-prolineME389488--5.263-
D-(-)-GlutamineD-GlutamineME389502--5.266-
D-(-)-Glutamine (2)D-GlutamineME389503--5.271-
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol-ME389477--5.383-
DL-ArginineArginineME389505--5.386-
OrnithineOrnithineME389541--5.386-
MFCD01664827-ME389524--5.567-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME389551--5.605-
L-Glutamic acidGlutamic acidME389520--5.608-
N-Acetyl-L-serineN-AcetylserineME389535--5.612-
AsparagineAsparagineME389498--5.723-
Citric acidCitric acidME389501--5.739-
ALA-GLU (2)Ala-GluME389493--5.815-
AdenosineAdenosineME389491--5.946-
muramic acid (3)Muramic acidME389528--6.264-
2'-deamino-2'-hydroxy-6'-dehydroparomamine (2)-ME389482--6.267-
GlucosamineGlucosamineME389510--6.272-
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME389389--6.28-
L-Glutamic acid (2)Glutamic acidME389521--6.347-
Glucosamine (2)GlucosamineME389511--6.445-
N-Acetylneuraminic acid (2)N-Acetylneuraminic acidME389537--6.741-
Orotidine (3)OrotidineME389543--7.578-
L-Aspartic acidAspartic acidME389518--7.582-
β-Alaninebeta-AlanineME389550--7.585-
Orotidine (4)OrotidineME389544--8.935-


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