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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,1'-(2,5-Pyrazinediyl)di(1,2,3,4-butanetetrol)-ME388795--2.225-
11-Aminoundecanoic acid11-Aminoundecanoic acidME388798--5.12-
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME388796--2.17-
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)t...-ME388797--2.478-
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME388793--2.152-
1-(5-Decanoyl-4-nonyl-1,4-dihydro-3-pyridinyl)-1-d...-ME388794--1.868-
(15R,27R)-18,21,24-Trihydroxy-2,50-dimethyl-27-{[(...-ME388713--1.865-
1H-Imidazol-2-ol-ME388799--16.806-
1H-Imidazol-2-ol (2)-ME388800--16.872-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME388803--2.023-
2,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONE-ME388801--1.998-
2,4,6-triaminotoluene2,4,6-TriaminotolueneME388802--2.255-
2-Acetamido-2-deoxyglucose-ME388804--2.26-
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol-ME388805--1.789-
2-Amino-4-[(4-aminobutyl)amino]butanoic acid-ME388806--4.187-
2-Aminonicotinic acid2-Aminonicotinic acidME388807--5.325-
2'-DeoxyadenosineDeoxyadenosineME388808--2.054-
2'-Deoxycytosine-ME388809--17.406-
2'-deoxymugineic acid-ME388810--3.143-
2-ETHYL-4,5-DIMETHYLOXAZOLE-ME388811--12.274-
2-Hydroxyfelbamate2-HydroxyfelbamateME388812--2.522-
2-Hydroxyhippuric acidSalicyluric acidME388813--1.872-
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amin...-ME388714--3.122-
(2S)-2-Piperazinecarboxamide-ME388715--3.21-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME388716--2.059-
3,4-Diaminopyridine-ME388814--1.887-
3-amino-2,3-dideoxy-scyllo-inosose3-Amino-2,3-dideoxy-scyllo-inososeME388815--2.366-
3-Aminopyrrolidine-ME388816--17.005-
3-Pyrroline-ME388817--1.934-
4-guanidinobutanal4-GuanidinobutanalME388818--1.924-
4-Hydroxyprolylalanine-ME388819--2.458-
4-Hydroxyprolylleucine-ME388820--7.776-
4-Hydroxyprolylthreonine-ME388821--2.346-
4-Imidazolemethanol-ME388822--17.253-
4-Imidazolemethanol (2)-ME388823--16.598-
4-Morpholinylacetic acid-ME388824--2.03-
4-Morpholinylacetic acid (2)-ME388825--6.689-
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-m...-ME388717--2.371-
5-(4-Hydroxybutyl)-2,4-imidazolidinedione-ME388826--2.145-
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOI...-ME388827--2.196-
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOI...-ME388828--2.062-
5-Oxotetrahydrofuran-2-carboxylic acid-ME388829--2.015-
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleu...-ME388830--8.112-
6-OxolysineHomoglutamineME388831--2.099-
6-Oxo-pipecolinic acid-ME388832--1.889-
6-Oxo-pipecolinic acid (2)-ME388833--2.345-
(±)-Abscisic acid-ME388712--6.617-
Aceturic acidN-AcetylglycineME388834--2.787-
AdipamideAdipamideME388835--4.276-
Alanylclavam-ME388836--3.22-
ALA-PROAla-ProME388837--2.273-
ala-serAla-SerME388838--2.122-
aldehydo-D-glucosamine 6-phosphate-ME388839--2.141-
Aminolevulinic acid5-Amino-levulinic acidME388840--2.091-
APM-ME388841--2.301-
arg-alaArg-AlaME388842--2.037-
BenserazideBenserazideME388843--2.06-
BetaineBetaineME388844--2.1-
Bicine-ME388845--2.165-
Bis(methylbenzylidene)sorbitol-ME388846--16.458-
Butoctamide semisuccinate-ME388847--9.226-
Butoctamide semisuccinate (2)-ME388848--8.658-
CadaverineCadaverineME388849--1.733-
CaprolactamEpsilon-caprolactamME388850--2.612-
capuride-ME388851--8.61-
carisoprodolCarisoprodolME388852--14.622-
CholineCholineME388853--2.055-
CyclohexylamineCyclohexylamineME388854--8.986-
DeanolDimethylethanolamineME388857--2.111-
DehydroglycineDehydroglycineME388858--1.929-
D-GlucosamineGlucosamineME388859--1.888-
D-(+)-GlucoseGlucoseME388856--1.992-
D-(-)-GlutamineD-GlutamineME388855--1.978-
Diethylene glycolDiethylene glycolME388860--3.618-
DihydrothymineDihydrothymineME388861--2.15-
Dimethyl octanediimidate-ME388862--8.894-
DL-AlanineAlanineME388863--1.942-
DL-ArginineArginineME388864--1.926-
DL-Citrulline-ME388865--2.052-
EJ4025000-ME388866--6.547-
EJ4025000 (2)-ME388867--8.892-
ethyl argininate-ME388868--2.451-
Furfural2-FurancarboxaldehydeME388869--1.739-
g-Guanidinobutyrate-ME388870--3.332-
glu-proGlu-ProME388871--4.641-
glutaralGlutaralME388872--2.172-
Gly-l-pro-ME388873--2.501-
Gly-LysGly-LysME388874--6.453-
GuvacineGuvacineME388875--4.189-
HexitolSorbitolME388876--1.983-
HIDA-ME388877--2.206-
HistamineHistamineME388878--1.792-
HomocitrullineHomocitrullineME388879--3.132-
Imidazolelactic acidImidazolelactic acidME388880--2.324-
ISOXYL-ME388881--2.626-
Kanosamine-ME388882--1.865-
Kanosamine (2)-ME388883--2.031-
L-(+)-AlanineAlanineME388885--2.175-
L-Alanyl-L-prolineAla-ProME388887--2.578-
L-(+)-Aspartic acidAspartic acidME388886--1.918-
L-Aspartic acidAspartic acidME388888--2.465-
lawsone-ME388889--1.756-
Leu-LeuLeu-LeuME388890--7.616-
Leu-ValLeu-ValME388891--7.771-
L-Glutamic acidGlutamic acidME388892--2.005-
l-Histidinal-ME388893--17.102-
L-HistidineHistidineME388894--1.887-
L-ProlineProlineME388895--1.929-
L-Pyroglutamic acidPyroglutamic acidME388896--3.636-
L-Pyroglutamic acid (2)Pyroglutamic acidME388897--1.969-
L-(-)-SerineSerineME388884--1.904-
L-TheanineN(5)-Ethyl-glutamineME388898--2.154-
LU3453000-ME388899--1.982-
lys-leuLys-LeuME388900--3.07-
LysylvalineLys-ValME388901--2.192-
MA4000000-ME388902--1.768-
Maleamic acidMaleamateME388903--1.908-
mebutamate-ME388904--12.272-
melamineMelamineME388905--2.46-
Methionine sulfoxideMethionine sulfoxideME388906--2.052-
Methylimidazoleacetic acidMethylimidazoleacetic acidME388907--1.959-
Methylol Dimethylhydantoin-ME388908--1.956-
MFCD00037215-ME388909--2.575-
MFCD01664827-ME388910--2.471-
MiglitolMiglitolME388911--2.061-
Muramic acidMuramic acidME388912--2.015-
Muscimol-ME388913--17.447-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME388915--2.38-
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMID...-ME388914--3.241-
N6-METHYLLYSINEN(6)-MethyllysineME388920--1.885-
N~6~,N~6~-Dimethyllysine-ME388919--1.917-
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME388921--9.685-
N-Acetylneuraminic acidN-Acetylneuraminic acidME388922--2.09-
N-AcetylputrescineN-AcetylputrescineME388923--2.62-
NI3400000-ME388924--1.96-
NicotinamideNiacinamideME388925--2.521-
NJ5000000-ME388926--1.829-
N-methylethanolamine phosphateN-Methylethanolamine phosphateME388927--2.08-
N-methylethanolamine phosphate (2)N-Methylethanolamine phosphateME388928--1.814-
N,N-diacetyllegionaminic acid-ME388916--3.063-
N,N-diacetyllegionaminic acid (2)-ME388917--2.103-
N,N-Diethylethanolamine-ME388918--2.695-
NPYR-ME388929--1.976-
nylon cyclic dimer-ME388930--9.213-
nylon cyclic dimer (2)-ME388931--8.984-
Ofloxacin ethyl ester-ME388932--2.06-
Oxaceprol-ME388933--2.032-
pentobarbitalPentobarbitalME388934--6.446-
pentobarbital (2)PentobarbitalME388935--5.662-
pentobarbital (3)PentobarbitalME388936--4.285-
PioglitazonePioglitazoneME388937--3.048-
PiracetamPiracetamME388938--2.675-
Piracetam (2)-ME388939--2.287-
PPG n10-ME388940--16.65-
PPG n10 (2)-ME388941--16.567-
PPG n8-ME388942--15.202-
PPG n9-ME388943--16.034-
pro-glnPro-GlnME388944--2.405-
pro-gln (2)Pro-GlnME388945--2.724-
Pro-GluPro-GluME388946--2.423-
Pro-Glu (2)Pro-GluME388947--2.555-
ProlineProlineME388948--2.174-
PyridoxaminePyridoxamineME388949--2.119-
PyrimidinePyrimidineME388950--17.269-
Pyrimidine (2)PyrimidineME388951--17.234-
Reduced GlutathioneGlutathioneME388952--3.243-
RV0540000-ME388953--2.173-
[Similar to: 15-epi Cloprostenol; ΔMass: 182.0395...-ME388726--2.7-
[Similar to: 1-Methylhistidine; ΔMass: 46.0058 Da...-ME388727--17.112-
[Similar to: 2-[(5-Bromo-4-chloro-1H-indol-3-yl)ox...-ME388728--1.68-
[Similar to: 2-[(5-Bromo-4-chloro-1H-indol-3-yl)ox...-ME388729--1.706-
[Similar to: (2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-A...-ME388720--13.571-
[Similar to: (2E,8S,10R)-10,11-Dihydroxy-6-(methox...-ME388721--14.713-
[Similar to: (2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1...-ME388722--1.97-
[Similar to: 3-(1,3-Benzodioxol-5-yl)-2-cyanoacryl...-ME388730--1.744-
[Similar to: (3β,5ξ,9ξ,16α,18ξ)-16-Hydroxy-13...-ME388723--2.066-
[Similar to: (3β,5ξ,9ξ,16α,18ξ)-16-Hydroxy-13...-ME388724--1.942-
[Similar to: (3β,5ξ,9ξ,16α,18ξ)-16-Hydroxy-13...-ME388725--2.026-
[Similar to: 4-Methylumbelliferyl acetate; ΔMass:...-ME388731--16.456-
[Similar to: 5-Acetoxy-3-(hydroxymethyl)-6-isoprop...-ME388732--2.134-
[Similar to: 5-Acetoxy-3-(hydroxymethyl)-6-isoprop...-ME388733--2.111-
[Similar to: 6-Methyl-4-(2-thienylmethyl)-2,3-dihy...-ME388734--2.439-
[Similar to: A-796260; ΔMass: 241.2744 Da]-ME388735--1.742-
[Similar to: Amphomycin; ΔMass: 1135.5768 Da]-ME388736--2.085-
[Similar to: Artemisinin; ΔMass: -20.9947 Da]-ME388737--2.753-
[Similar to: Azithromycin; ΔMass: 589.5471 Da]-ME388738--3.053-
[Similar to: Benproperine; ΔMass: 3.0527 Da]-ME388739--11.319-
[Similar to: Benproperine; ΔMass: 3.0527 Da] (2)-ME388740--11.106-
[Similar to: Benproperine; ΔMass: 66.0156 Da]-ME388741--6.959-
[Similar to: Benproperine; ΔMass: 95.0419 Da]-ME388742--11.333-
[Similar to: Betaine; ΔMass: 0.1409 Da]-ME388743--1.753-
[Similar to: Betaine; ΔMass: -0.8559 Da]-ME388744--1.748-
[Similar to: Betaine; ΔMass: -0.9326 Da]-ME388745--1.753-
[Similar to: Bialaphos; ΔMass: -18.0059 Da]-ME388746--1.974-
[Similar to: Bialaphos; ΔMass: -19.0364 Da]-ME388747--1.921-
[Similar to: Carazolol; ΔMass: 179.0737 Da]-ME388748--1.976-
[Similar to: Colistin; ΔMass: 883.5251 Da]-ME388749--8.983-
[Similar to: Cyclo(glycyl-N5-acetyl-N5-hydroxyorni...-ME388750--2.328-
[Similar to: D-Glucosamine; ΔMass: -17.0134 Da]-ME388752--1.898-
[Similar to: D-(+)-Glucose; ΔMass: -15.9610 Da]-ME388751--1.936-
[Similar to: Dithiopyr; ΔMass: 232.0199 Da]-ME388753--2.035-
[Similar to: Dithiopyr; ΔMass: 233.0039 Da]-ME388754--1.96-
[Similar to: DL-Arginine; ΔMass: 0.0829 Da]-ME388755--2.185-
[Similar to: DL-Arginine; ΔMass: -0.8888 Da]-ME388756--2.167-
[Similar to: DL-Arginine; ΔMass: -174.0398 Da]-ME388757--1.997-
[Similar to: Folinic acid; ΔMass: 147.0580 Da]-ME388758--3.213-
[Similar to: Folinic acid; ΔMass: -157.0677 Da]-ME388759--3.145-
[Similar to: Folinic acid; ΔMass: 79.0713 Da]-ME388760--3.147-
[Similar to: GW 610; ΔMass: 0.9863 Da]-ME388761--1.988-
[Similar to: Kanosamine; ΔMass: 19.0662 Da]-ME388762--2.016-
[Similar to: Kanosamine; ΔMass: -20.9972 Da]-ME388763--1.823-
[Similar to: L-Glutamine; ΔMass: -0.9963 Da]-ME388764--1.97-
[Similar to: L-Glutamine; ΔMass: 17.0678 Da]-ME388765--1.935-
[Similar to: L-Glutamine; ΔMass: 32.9741 Da]-ME388766--1.929-
[Similar to: L-Histidine; ΔMass: 0.0507 Da]-ME388767--1.881-
[Similar to: L-Histidine; ΔMass: 1.0346 Da]-ME388768--1.882-
[Similar to: L-Kynurenine; ΔMass: 0.0033 Da]-ME388769--2.273-
[Similar to: Muramic acid; ΔMass: 18.1546 Da]-ME388770--1.934-
[Similar to: N1-[3-(1H-Imidazol-1-yl)propyl]-2,6-d...-ME388776--4.654-
[Similar to: N-(2,4-Difluorophenyl)-4-(dimethylami...-ME388771--2.727-
[Similar to: N-{[(2R,3S,4S,5S)-5-(2-{[2-(Dimethyla...-ME388775--1.751-
[Similar to: N-[4-(2-Aminopyrimidin-4-yl)phenyl]-N...-ME388774--1.889-
[Similar to: N,N-Diisopropylethylamine (DIPEA); Δ...-ME388772--1.751-
[Similar to: N,N-Diisopropylethylamine (DIPEA); Δ...-ME388773--16.757-
[Similar to: Nobiletin; ΔMass: 10.9493 Da]-ME388777--14.419-
[Similar to: n-Pentyl isopentyl phthalate ; ΔMass...-ME388778--16.949-
[Similar to: Oleoyl ethylamide; ΔMass: 112.2551 D...-ME388779--1.751-
[Similar to: Oleoyl ethylamide; ΔMass: 193.3247 D...-ME388780--1.752-
[Similar to: Oleoyl ethylamide; ΔMass: 211.3349 D...-ME388781--1.739-
[Similar to: Proline; ΔMass: -0.0111 Da]-ME388782--2.43-
[Similar to: Proline; ΔMass: 1.0342 Da]-ME388783--2.101-
[Similar to: Proline; ΔMass: -113.9757 Da]-ME388784--2.09-
[Similar to: Proline; ΔMass: -114.9722 Da]-ME388785--2.09-
[Similar to: Secodihydro-hydramicromelin B; ΔMass...-ME388786--16.458-
[Similar to: Secodihydro-hydramicromelin B; ΔMass...-ME388787--16.458-
[Similar to: Sulfamethazine; ΔMass: 155.0043 Da]-ME388788--17.285-
[Similar to: Sulfamethazine; ΔMass: 155.0044 Da]-ME388789--17.239-
[Similar to: Tangeritin; ΔMass: -15.9568 Da]-ME388790--3.143-
[Similar to: Unguisin E; ΔMass: 616.3379 Da]-ME388791--2.878-
[Similar to: Ursolic acid; ΔMass: 228.1410 Da]-ME388792--16.135-
spinacine-ME388954--1.855-
StreptamineStreptamineME388955--1.771-
Succinyl prolineSuccinylprolineME388956--2.013-
Sulfuric acidTrichilin AME388957--1.738-
TetraacetylethylenediamineTetraacetylethylenediamineME388958--2.148-
ThreonineThreonineME388959--1.973-
tiaprideTiaprideME388960--1.904-
Tiformin-ME388961--2.598-
Timonacic-ME388962--2.238-
TriethanolamineTriethanolamineME388963--2.002-
Triethylamine-ME388964--3.838-
Triisopropanolamine-ME388965--3.257-
trimethadioneTrimethadioneME388966--2.78-
UB6600000-ME388967--3.535-
UB6600000 (2)-ME388968--2.542-
val-argVal-ArgME388969--2.607-
val-asnVal-AsnME388970--2.251-
Veronal5,5-Diethylbarbituric acidME388971--3.639-
Veronal (2)5,5-Diethylbarbituric acidME388972--4.537-
Veronal (3)5,5-Diethylbarbituric acidME388973--4.172-
Viloxazine-ME388974--2.098-
(Z)-dehydrobutyrine-ME388718--1.994-
(Z)-dehydrobutyrine (2)-ME388719--2.167-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME388975--2.083-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-[5-(2,3,4-Trihydroxybutyl)-2-pyrazinyl]-1,2,3,4-...-ME389034--3.09-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389033--3.086-
(1R,2R,3S,5R,7R)-2-Acetamido-7-(1,2-dihydroxyethyl...-ME388977--3.506-
(1R,2R,3S,5R,7R)-2-Acetamido-7-(1,2-dihydroxyethyl...-ME388978--2.613-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME389035--1.916-
(2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxyme...-ME388979--1.954-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME388980--1.996-
3-(3,4-dihydroxyphenyl)lactamide-ME389036--8.838-
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)dihydro-2(...-ME389037--1.948-
4-Hydroxyprolylthreonine-ME389038--2.292-
4-Oxoproline4-Oxo-prolineME389039--3.595-
6-deoxyinosine 5'-phosphate-ME389040--1.963-
AC-benzyl-ME389041--2.045-
Bisphenol S4,4'-SulfonyldiphenolME389042--12.231-
Bluensidine-ME389043--1.858-
D-Glucono-delta-lactone-ME389047--1.919-
D-(+)-GlucoseGlucoseME389046--1.913-
D-(-)-GlutamineD-GlutamineME389044--1.878-
D-(-)-Glutamine (2)D-GlutamineME389045--2.08-
Dinoterb-ME389048--2.515-
DL-ArginineArginineME389049--1.857-
DL-Arginine (2)ArginineME389050--1.859-
DL-GlutamineGlutamineME389051--1.876-
Ethylene glycol tetraacetic acid-ME389052--2.998-
Fenson-ME389053--15.934-
GalactosamineGalactosamineME389054--1.815-
Gluconic acidGluconic acidME389055--1.951-
Gluconic acid (2)Gluconic acidME389056--1.941-
(±)-Ibotenic acid-ME388976--1.976-
L-Aspartic acidAspartic acidME389058--1.87-
L-Aspartic acid (2)Aspartic acidME389059--1.873-
L-Glutamic acidGlutamic acidME389060--1.932-
L-HistidineHistidineME389061--1.83-
L-(-)-Malic acidMalic acidME389057--2.412-
MFCD00037215-ME389062--2.515-
MidodrineMidodrineME389063--8.065-
N-(3-Carboxy-3-hydroxypropyl)-4-[(carboxymethyl)am...-ME389064--1.947-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME389065--2.326-
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME389066--4.216-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389067--2.027-
neuraminic acidNeuraminic acidME389068--2.114-
N-hexadecanoylsphinganineCer 18:0;O2/16:0ME389069--1.826-
N-Methyl-<scp>D</scp>-aspartic acid-ME389070--1.936-
OrotidineOrotidineME389071--2.073-
shinorine-ME389072--6.556-
[Similar to: (2-{[(1S,11aS)-7-(1,3-Benzodioxol-5-y...-ME388981--1.923-
[Similar to: (2-{[(1S,11aS)-7-(1,3-Benzodioxol-5-y...-ME388982--1.954-
[Similar to: (2-{[7-(2-Fluorophenyl)-5,11-dioxo-2,...-ME388983--1.945-
[Similar to: (2-{[7-(2-Fluorophenyl)-5,11-dioxo-2,...-ME388984--1.929-
[Similar to: 2-Methoxy-N-{2-[1-(2-naphthyl)-1H-1,2...-ME388988--1.938-
[Similar to: 2-Methoxy-N-{2-[1-(2-naphthyl)-1H-1,2...-ME388989--1.817-
[Similar to: 2-Methoxy-N-{2-[1-(2-naphthyl)-1H-1,2...-ME388990--1.944-
[Similar to: (3R,4R,6R)-6-{[4-(1-Hydroxycyclopenty...-ME388985--2.211-
[Similar to: 4-Guanidinobutyric acid; ΔMass: 43.0...-ME388991--1.936-
[Similar to: 4-Oxoproline; ΔMass: -0.9228 Da]-ME388992--2.072-
[Similar to: 4-Oxoproline; ΔMass: -0.9825 Da]-ME388993--1.934-
[Similar to: 4-Oxoproline; ΔMass: -67.9864 Da]-ME388994--3.595-
[Similar to: (4S,6S)-N-(Cyclopropylmethyl)-6-isobu...-ME388986--2.425-
[Similar to: (4S,6S)-N-(Cyclopropylmethyl)-6-isobu...-ME388987--2.111-
[Similar to: Argininosuccinic acid; ΔMass: 158.03...-ME388995--1.859-
[Similar to: Argininosuccinic acid; ΔMass: 158.15...-ME388996--1.816-
[Similar to: Argininosuccinic acid; ΔMass: 159.12...-ME388997--1.928-
[Similar to: D-(-)-Glutamine; ΔMass: -71.9041 Da]-ME388998--2.41-
[Similar to: DL-Arginine; ΔMass: 0.1561 Da]-ME388999--1.865-
[Similar to: DL-Arginine; ΔMass: 1.0828 Da]-ME389000--1.812-
[Similar to: DL-Homoserine ; ΔMass: -161.0380 Da]-ME389001--2.016-
[Similar to: DL-Malic acid; ΔMass: 0.9854 Da]-ME389002--2.417-
[Similar to: Guanidinosuccinic acid; ΔMass: 43.00...-ME389003--1.841-
[Similar to: L-Glutamic acid; ΔMass: 0.0481 Da]-ME389005--1.924-
[Similar to: L-Glutamic acid; ΔMass: -147.0028 Da...-ME389006--1.942-
[Similar to: L-Glutamic acid; ΔMass: -161.0684 Da...-ME389007--1.994-
[Similar to: L-Glutamic acid; ΔMass: -168.0507 Da...-ME389008--1.904-
[Similar to: L-Glutamic acid; ΔMass: -168.6796 Da...-ME389009--1.836-
[Similar to: L-Glutamic acid; ΔMass: -169.0348 Da...-ME389010--1.954-
[Similar to: L-Glutamic acid; ΔMass: -184.6535 Da...-ME389011--1.84-
[Similar to: L-Glutamic acid; ΔMass: -250.1156 Da...-ME389012--1.908-
[Similar to: L-Glutamic acid; ΔMass: -251.0997 Da...-ME389013--1.955-
[Similar to: L-Histidine; ΔMass: -0.8350 Da]-ME389014--2.019-
[Similar to: L-(-)-Malic acid; ΔMass: -156.0032 D...-ME389004--2.414-
[Similar to: Microcystin LF; ΔMass: 855.5507 Da]-ME389015--1.824-
[Similar to: N-1-({2-[4-(Dimethylamino)benzoyl]hyd...-ME389017--2.417-
[Similar to: N'1-(2-Chlorobenzylidene)-4-hydroxy-3...-ME389018--1.845-
[Similar to: N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-...-ME389016--2.525-
[Similar to: N4-Acetylcytidine; ΔMass: 127.0282 D...-ME389019--1.871-
[Similar to: N4-Acetylcytidine; ΔMass: 128.0123 D...-ME389020--1.856-
[Similar to: Pyridoxamine; ΔMass: -18.0095 Da]-ME389021--2.213-
[Similar to: S-Lactoylglutathione; ΔMass: 51.9888...-ME389022--1.925-
[Similar to: S-Lactoylglutathione; ΔMass: 52.9728...-ME389023--1.885-
[Similar to: S-Lactoylglutathione; ΔMass: 53.9569...-ME389024--1.844-
[Similar to: SSR504734; ΔMass: 124.0210 Da]-ME389025--6.542-
[Similar to: Threonine; ΔMass: -162.8571 Da]-ME389026--1.81-
[Similar to: Threonine; ΔMass: -179.0789 Da]-ME389027--1.854-
[Similar to: Threonine; ΔMass: -180.0629 Da]-ME389028--1.889-
[Similar to: Threonine; ΔMass: -180.8291 Da]-ME389029--1.818-
[Similar to: Threonine; ΔMass: -181.0458 Da]-ME389030--1.845-
[Similar to: Threonine; ΔMass: -72.0200 Da]-ME389031--1.998-
[Similar to: Uracil; ΔMass: -176.0656 Da]-ME389032--1.983-
Trabodenoson-ME389073--2.159-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME389074--1.931-


Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
11-Aminoundecanoic acid11-Aminoundecanoic acidME389163--3.072-
[(1,2-Dioxo-1,2-ethanediyl)bis(oxy)]diammonium-ME389085--6.776-
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)t...-ME389162--5.243-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389160--3.121-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME389161--3.612-
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)-ME389166--3.017-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME389169--4.507-
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hy...-ME389170--6.063-
2,4,6-triaminotoluene2,4,6-TriaminotolueneME389167--3.269-
2,4-Dimethyloxazole-ME389168--5.304-
2-Acetamido-2-deoxyglucose-ME389171--5.055-
2-Acetamido-2-deoxyglucose (2)-ME389172--3.646-
2-Amino-1H-benzimidazole-ME389173--2.93-
2-Amino-2-deoxy-4-O-beta-D-galactopyranosyl-D-gluc...-ME389174--6.07-
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol-ME389175--3.3-
2'-deamino-2'-hydroxy-6'-dehydroparomamine-ME389176--4.325-
2'-DeoxyadenosineDeoxyadenosineME389177--6.224-
2'-deoxymugineic acid-ME389178--4.483-
2'-deoxymugineic acid (2)-ME389179--4.615-
2-(Diethylamino)ethanol-ME389164--3.053-
2-(Diethylamino)ethanol (2)-ME389165--2.953-
2-Hydroxyfelbamate2-HydroxyfelbamateME389180--3.575-
2-Oxo-4-pentenoic acid-ME389181--4.157-
(2S)-2-Piperazinecarboxamide-ME389077--5.846-
(2S)-2-Piperazinecarboxamide (2)-ME389078--3.19-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389079--5.423-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389080--5.643-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389081--6.014-
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME389082--3.613-
(2Z)-2-Aminobut-2-enoate-ME389083--5.767-
3,4-Diaminopyridine-ME389182--5.915-
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-o...-ME389183--3.523-
4-(2-Carboxy-1-azetidinyl)-N-(3-carboxy-3-hydroxyp...-ME389184--4.857-
4,6-Dimethyl-2(1H)-pyrimidinone-ME389185--3.51-
4,6-Dimethyl-2(1H)-pyrimidinone (2)-ME389186--3.601-
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME389187--3.644-
4-Aminopyridine4-AminopyridineME389188--3.25-
4-Aminopyridine (2)4-AminopyridineME389189--5.034-
4-Imidazolemethanol-ME389190--3.515-
4-methylthio-2-oxobutanoic acid2-Oxo-4-methylthiobutanoic acidME389191--5.402-
4-Morpholinylacetic acid-ME389192--3.467-
4-Nitroaniline4-NitroanilineME389193--3.725-
4-Nitroaniline (2)4-NitroanilineME389194--3.534-
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-m...-ME389084--3.447-
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME389195--5.958-
6-OxolysineHomoglutamineME389196--6.086-
6-Oxolysine (2)HomoglutamineME389197--4.381-
6-Oxo-pipecolinic acid-ME389198--6.037-
(±)-Abscisic acid-ME389076--3.806-
ACPC-ME389199--5.299-
ACPC (2)-ME389200--5.415-
agmatineAgmatineME389201--4.851-
agmatine (2)AgmatineME389202--4.054-
ala-serAla-SerME389203--4.411-
Aminolevulinic acid5-Amino-levulinic acidME389204--6.133-
Aminolevulinic acid (2)5-Amino-levulinic acidME389205--6.338-
Aminolevulinic acid (3)5-Amino-levulinic acidME389206--3.486-
Aminolevulinic acid (4)5-Amino-levulinic acidME389207--6.012-
Aminolevulinic acid (5)5-Amino-levulinic acidME389208--6.467-
Aminolevulinic acid (6)5-Amino-levulinic acidME389209--6.257-
APM-ME389210--4.952-
arg-alaArg-AlaME389211--4.43-
Arg-proArg-ProME389212--6.068-
Arg-pro (2)Arg-ProME389213--4.157-
BetaineBetaineME389214--4.417-
Betaine (2)BetaineME389215--4.832-
Boc-Asn-Oh-ME389216--3.671-
ButabarbitalButabarbitalME389217--3.446-
butalbitalButalbitalME389218--3.104-
Butoctamide semisuccinate-ME389219--2.764-
CaprolactamEpsilon-caprolactamME389220--3.494-
Caprolactam (2)Epsilon-caprolactamME389221--3.294-
Caprolactam (3)Epsilon-caprolactamME389222--3.137-
Carbofuran-ME389223--4.335-
CholineCholineME389224--3.468-
Choline Alfoscerate-ME389225--5.292-
CoprineCoprineME389226--3.656-
CyclohexylamineCyclohexylamineME389227--2.984-
Cyprodenate-ME389228--2.79-
Cyprodenate (2)-ME389229--19.085-
DaminozideDaminozideME389231--5.951-
Desoxymycin-ME389232--2.743-
D-GlucosamineGlucosamineME389233--4.32-
D-Glucosamine (2)GlucosamineME389234--6.06-
D-Glucosamine (3)GlucosamineME389235--6.297-
D-(-)-GlutamineD-GlutamineME389230--5.53-
Dibutyl phthalateDibutyl phthalateME389236--19.046-
DL-ArginineArginineME389237--5.762-
DL-Arginine (2)ArginineME389238--5.428-
DL-Arginine (3)ArginineME389239--4.745-
DL-CarnitineCarnitineME389240--3.172-
DL-GlutamineGlutamineME389241--4.083-
DL-HistidineHistidineME389242--5.903-
DL-Histidine (2)HistidineME389243--5.218-
D-SerineD-SerineME389244--6.126-
Dulcin-ME389245--3.165-
Ethephon-ME389246--2.746-
(+)-Eudesmin-ME389075--2.751-
Fucosamine-ME389247--3.648-
GabapentinGabapentinME389248--3.015-
gaboxadol-ME389249--3.309-
GalactosamineGalactosamineME389250--4.139-
gamma-Aminobutyric acidgamma-Aminobutyric acidME389251--3.519-
g-Butyrobetaine-ME389252--3.344-
g-Guanidinobutyrate-ME389253--3.193-
glu-proGlu-ProME389254--3.594-
glu-thrGlu-ThrME389255--4.321-
glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME389256--8.367-
GlycineGlycineME389257--5.453-
Glycyl-4-hydroxyproline-ME389258--3.923-
Gly-l-pro-ME389259--3.634-
Gly-LysGly-LysME389260--3.255-
GuvacineGuvacineME389261--4.831-
HEPES-ME389262--4.956-
Hexaconazole-ME389263--5.796-
Hexaconazole (2)-ME389264--5.832-
HistamineHistamineME389265--5.034-
Homoanserine-ME389266--5.035-
HomocitrullineHomocitrullineME389267--3.677-
Homo-L-arginineHomoarginineME389268--5.076-
Homo-L-arginine (2)HomoarginineME389269--4.415-
Imidazolepropionic acidImidazolepropionic acidME389270--3.673-
Kanosamine-ME389271--4.14-
Kanosamine (2)-ME389272--4.524-
Kanosamine (3)-ME389273--6.06-
L-(+)-AlanineAlanineME389276--5.008-
L-Alanyl-L-prolineAla-ProME389278--3.52-
L-Alanyl-L-proline (2)Ala-ProME389279--3.613-
L-Alanyl-L-proline (3)Ala-ProME389280--3.841-
L-(-)-AsparagineAsparagineME389274--6.009-
L-(+)-Aspartic acidAspartic acidME389277--5.428-
L-Aspartic acidAspartic acidME389281--7.884-
Lauramide-ME389282--19.049-
lentiginosineLentiginosineME389283--3.381-
L-Glutamic acidGlutamic acidME389284--5.958-
L-Glutamic acid (2)Glutamic acidME389285--5.814-
L-Glutamic acid (3)Glutamic acidME389286--5.836-
L-Glutamic acid (4)Glutamic acidME389287--6.153-
L-Glutamic acid (5)Glutamic acidME389288--6.205-
LinamarinLinamarinME389289--5.299-
L-ProlineProlineME389290--5.862-
L-Pyroglutamic acidPyroglutamic acidME389291--5.57-
L-Pyroglutamic acid (2)Pyroglutamic acidME389292--5.975-
L-Pyroglutamic acid (3)Pyroglutamic acidME389293--5.753-
L-Pyroglutamic acid (4)Pyroglutamic acidME389294--5.418-
L-(-)-SerineSerineME389275--5.773-
L-TheanineN(5)-Ethyl-glutamineME389295--4.054-
LU3453000-ME389296--6.01-
LU3453000 (2)-ME389297--4.189-
LysylvalineLys-ValME389298--4.683-
MA4000000-ME389299--3.491-
MA4000000 (2)-ME389300--4.183-
metharbitalMetharbitalME389301--3.511-
MFCD00037215-ME389302--5.184-
MFCD00041932-ME389303--3.205-
MFCD00055782-ME389304--6.076-
MFCD01664827-ME389305--5.452-
MidodrineMidodrineME389306--3.394-
MiglitolMiglitolME389307--3.646-
Muramic acidMuramic acidME389308--4.526-
muramic acid (2)Muramic acidME389309--4.289-
muramic acid (3)Muramic acidME389310--4.179-
Muramic acid (4)Muramic acidME389311--6.03-
Muramic acid (5)Muramic acidME389312--5.864-
N~1~-Isopropyl-2-methylpropan-1,2-diamin-ME389319--6.051-
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMID...-ME389313--3.258-
N6-METHYLLYSINEN(6)-MethyllysineME389321--5.108-
N6-METHYLLYSINE (2)N(6)-MethyllysineME389322--4.462-
N~6~,N~6~-Dimethyllysine-ME389320--4.305-
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME389323--6.374-
N-acetyl-LL-2,6-diaminopimelic acid-ME389324--6.015-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389325--7.042-
N-AcetylputrescineN-AcetylputrescineME389326--3.473-
NI3400000-ME389327--3.464-
nicotianamine(R,S,S)-NicotianamineME389328--4.211-
NJ5000000-ME389329--4.173-
NJ5000000 (2)-ME389330--5.074-
N-methylethanolamine phosphateN-Methylethanolamine phosphateME389331--4.821-
N-MethylglutamateN-Methyl-glutamic acidME389332--3.265-
N,N-diacetyllegionaminic acid-ME389314--4.195-
N,N-diacetyllegionaminic acid (2)-ME389315--4.402-
N,N-diacetyllegionaminic acid (3)-ME389316--4.583-
N,N-dimethylarginineDimethylarginineME389317--4.103-
N,N-DimethylglycineDimethylglycineME389318--4.765-
N-Nitrosoguvacoline-ME389333--5.563-
NPYR-ME389334--19.661-
NPYR (2)-ME389335--19.479-
N-succinyl-LL-2,6-diaminopimelic acid-ME389336--6.042-
N-tetracosanoylsphinganine-1-phosphocholineSM 18:0;O2/24:0ME389337--5.866-
N-UndecanoylglycineN-UndecanoylglycineME389338--2.817-
nylon cyclic dimer-ME389339--3.189-
Oryzalin metabolite-ME389340--3.368-
ParacetamolAcetaminophenME389341--3.867-
PEG-4-ME389342--3.263-
pentetrazol-ME389343--5.086-
pentobarbitalPentobarbitalME389344--3.252-
PhenylhydrazinePhenylhydrazineME389345--3.525-
Phenylisocyanate-ME389346--8.355-
PicolinamidePicolinamideME389347--3.669-
Proacacipetalin-ME389348--5.232-
pro-glnPro-GlnME389349--3.599-
ProlineProlineME389350--4.779-
Proline (2)ProlineME389351--5.167-
Pulcherriminic acidPulcherriminic acidME389352--3.348-
PYRIDOXAMINEPyridoxamineME389353--3.491-
Pyrogallol1,2,3-TrihydroxybenzeneME389354--4.17-
Reduced GlutathioneGlutathioneME389355--6.203-
RG8841500-ME389356--6.046-
S-Allyl propanethioate-ME389357--5.453-
[Similar to: 10-Deacetylbaccatin III; ΔMass: 181....-ME389091--6.065-
[Similar to: 1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-...-ME389090--3.068-
[Similar to: 15-epi Cloprostenol; ΔMass: 182.2474...-ME389092--3.779-
[Similar to: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N'-(2...-ME389093--5.449-
[Similar to: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N'-(2...-ME389094--5.418-
[Similar to: (2S,3R,4R,5S,6E,14S)-4-Acetoxy-2-ammo...-ME389086--8.362-
[Similar to: 3-(4-Phenylpiperazino)-2-(2-pyridylsu...-ME389095--3.52-
[Similar to: 3-Chloro-N-{methyl(oxo)[5-(trifluorom...-ME389096--5.736-
[Similar to: 3-Hydroxy-1-[3-(trifluoromethyl)pheny...-ME389097--6.03-
[Similar to: 3-Hydroxy-1-[3-(trifluoromethyl)pheny...-ME389098--6.05-
[Similar to: 3-Hydroxy-1-[3-(trifluoromethyl)pheny...-ME389099--6.107-
[Similar to: 3-Hydroxy-1-[3-(trifluoromethyl)pheny...-ME389100--5.97-
[Similar to: (3R,4S)-3-Ethyl-4-{2-[(1-naphthylmeth...-ME389087--3.593-
[Similar to: 4-(1-Methyl-4-nitro-1H-imidazol-5-yl)...-ME389101--3.741-
[Similar to: 4-Allyl-5-[1-(4-chlorophenoxy)ethyl]-...-ME389102--3.264-
[Similar to: (4R,9β,23E)-2-(β-D-Glucopyranosylox...-ME389088--4.713-
[Similar to: (4R,9β,23E)-2-(β-D-Glucopyranosylox...-ME389089--3.432-
[Similar to: 6-Aminocaproic acid; ΔMass: 19.0306 ...-ME389103--3.479-
[Similar to: 6-Methyl-4-(2-thienylmethyl)-2,3-dihy...-ME389104--4.818-
[Similar to: 9-Nitrooleate; ΔMass: 152.1203 Da]-ME389105--3.406-
[Similar to: 9-Nitrooleate; ΔMass: 171.1512 Da]-ME389106--3.281-
[Similar to: Amobarbital; ΔMass: 0.1878 Da]-ME389107--3.849-
[Similar to: Amphomycin; ΔMass: 1069.5860 Da]-ME389108--8.323-
[Similar to: Artemisinin; ΔMass: -21.8314 Da]-ME389109--4.717-
[Similar to: Azoxystrobin; ΔMass: 206.0273 Da]-ME389110--4.615-
[Similar to: Butylisopropylamine; ΔMass: 0.0613 D...-ME389111--3.333-
[Similar to: Celiprolol; ΔMass: 259.1854 Da]-ME389112--5.413-
[Similar to: Colistin; ΔMass: 996.7933 Da]-ME389113--3.854-
[Similar to: Colistin; ΔMass: 997.7171 Da]-ME389114--4.411-
[Similar to: DL-Arginine; ΔMass: -0.9967 Da]-ME389115--5.84-
[Similar to: Germanasim E; ΔMass: 300.4860 Da]-ME389116--5.838-
[Similar to: Germanasim E; ΔMass: 315.9890 Da]-ME389117--5.621-
[Similar to: Imidazolelactic acid; ΔMass: 0.0770 ...-ME389118--8.351-
[Similar to: Imidazolelactic acid; ΔMass: -1.0315...-ME389119--5.893-
[Similar to: L-Aspartic acid; ΔMass: -40.9496 Da]-ME389120--8.354-
[Similar to: Linezolid; ΔMass: 235.0924 Da]-ME389121--5.905-
[Similar to: Linezolid; ΔMass: 236.0956 Da]-ME389122--5.972-
[Similar to: Linezolid; ΔMass: 236.0956 Da] (2)-ME389123--5.9-
[Similar to: Linezolid; ΔMass: 236.0956 Da] (3)-ME389124--5.837-
[Similar to: Muramic acid; ΔMass: -0.8542 Da]-ME389125--5.394-
[Similar to: Muramic acid; ΔMass: 0.9482 Da]-ME389126--5.946-
[Similar to: Muramic acid; ΔMass: 0.9846 Da]-ME389127--6.008-
[Similar to: Muramic acid; ΔMass: -1.0029 Da]-ME389128--4.498-
[Similar to: N3-(4-Methylbenzyl)pyridin-3-amine; ...-ME389130--3.09-
[Similar to: N3-(4-Methylbenzyl)pyridin-3-amine; ...-ME389131--3.234-
[Similar to: N4-Acetylsulfamethoxazole; ΔMass: -0...-ME389132--5.654-
[Similar to: N-Acetylneuraminic acid; ΔMass: -1.0...-ME389133--6.901-
[Similar to: N-Acetylneuraminic acid; ΔMass: 35.9...-ME389134--5.948-
[Similar to: N-Acetylneuraminic acid; ΔMass: 37.0...-ME389135--6.024-
[Similar to: N-Acetylneuraminic acid; ΔMass: 37.0...-ME389136--6-
[Similar to: N,N-Diisopropylethylamine (DIPEA); Δ...-ME389129--2.934-
[Similar to: PEG n6; ΔMass: -16.9798 Da]-ME389137--3.594-
[Similar to: PEG n6; ΔMass: -17.9637 Da]-ME389138--3.604-
[Similar to: PEG n7; ΔMass: -17.9636 Da]-ME389139--3.445-
[Similar to: Phalloidin; ΔMass: 420.0745 Da]-ME389140--3.618-
[Similar to: Proline; ΔMass: -39.0107 Da]-ME389141--5.018-
[Similar to: Propranolol; ΔMass: 155.1218 Da]-ME389142--5.615-
[Similar to: Protirelin; ΔMass: 0.2516 Da]-ME389143--5.633-
[Similar to: Sildenafil methylsulfonyl; ΔMass: 13...-ME389144--8.376-
[Similar to: Tetraglyme; ΔMass: -15.9944 Da]-ME389145--3.232-
[Similar to: Triamcinolone acetonide; ΔMass: 210....-ME389146--3.684-
[Similar to: Triamcinolone acetonide; ΔMass: 211....-ME389147--4.002-
[Similar to: Triamcinolone acetonide; ΔMass: 211....-ME389148--3.959-
[Similar to: Tributylamine; ΔMass: 73.1504 Da]-ME389149--3.281-
[Similar to: Triethanolamine; ΔMass: 1.0892 Da]-ME389150--19.043-
[Similar to: α-Methyl-DL-histidine; ΔMass: 4.125...-ME389151--3.926-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389152--3.763-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389153--3.485-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389154--8.355-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389155--8.325-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389156--5.984-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389157--6.005-
[Similar to: γ-Aminopropyltriethoxysilane; ΔMass...-ME389158--6.234-
[Similar to: Υ-Aminobutyric acid (GABA); ΔMass: ...-ME389159--3.853-
spinacine-ME389358--5.975-
StreptamineStreptamineME389359--6.136-
Streptamine (2)StreptamineME389360--6.316-
tert-Butyl 3-amino-1-methyl-2,3-dioxopropylcarbama...-ME389361--3.557-
TetraacetylethylenediamineTetraacetylethylenediamineME389362--3.52-
THP(A)-ME389363--3.734-
ThreonineThreonineME389364--5.323-
ThreonylserineThr-SerME389365--4.524-
Tiformin-ME389366--3.647-
tin(ii) hydride-ME389367--3.735-
TriethanolamineTriethanolamineME389368--3.501-
Triethylamine-ME389369--2.914-
Triethylamine (2)-ME389370--3.026-
trimethadioneTrimethadioneME389371--4.193-
trimethadione (2)-ME389372--4.059-
trimethadione (3)-ME389373--4.576-
trimethadione (4)-ME389374--3.501-
trimethylglycineBetaineME389375--3.352-
Tris(hydroxymethyl)aminomethane-ME389376--3.781-
UB6600000-ME389377--3.197-
val-argVal-ArgME389378--4.69-
Val-lysVal-LysME389379--4.072-
Veronal5,5-Diethylbarbituric acidME389380--3.165-
Veronal (2)5,5-Diethylbarbituric acidME389381--3.672-
YU0650000-ME389382--3.634-
ZV4-ME389383--3.204-
β-Alaninebeta-AlanineME389384--5.013-
β-Alanine (2)beta-AlanineME389385--4.875-
β-Alanine (3)beta-AlanineME389386--5.144-


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME389476--4.986-
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME389475--4.167-
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol-ME389477--5.383-
(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6...-ME389387--4.582-
2,3,4,5,6,7-Hexahydroxyheptanoic acid-ME389478--4.319-
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopy...-ME389479--3.861-
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid-ME389480--4.231-
2'-deamino-2'-hydroxy-6'-dehydroparomamine-ME389481--3.911-
2'-deamino-2'-hydroxy-6'-dehydroparomamine (2)-ME389482--6.267-
2'-deoxymugineic acid-ME389483--4.182-
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME389388--4.964-
3-(3,4-dihydroxyphenyl)lactamide-ME389484--2.784-
4,4'-Dihydroxydiphenylsulfone-ME389485--2.517-
4-Hydroxyprolylalanine-ME389486--3.371-
4-O-Acetyl-N-acetylmannosamine-ME389487--4.221-
4-Oxoproline4-Oxo-prolineME389488--5.263-
6-(alpha-D-glucosaminyl)-1D-myo-inositol-ME389489--4.703-
7,8-dihydroneopterin 3'-phosphate-ME389490--4.354-
AdenosineAdenosineME389491--5.946-
ALA-GLUAla-GluME389492--4.884-
ALA-GLU (2)Ala-GluME389493--5.815-
Alanylclavam-ME389494--4.861-
AlanylthreonineAla-ThrME389495--3.822-
ALA-PROAla-ProME389496--3.274-
ALA-PRO (2)Ala-ProME389497--3.391-
.alpha.-Aminoadipic acid-ME389389--6.28-
AsparagineAsparagineME389498--5.723-
Azelaic acidAzelaic acidME389499--2.567-
beta-D-hamamelose-ME389500--4.354-
Citric acidCitric acidME389501--5.739-
D-Glucono-delta-lactone-ME389504--4.378-
D-(-)-GlutamineD-GlutamineME389502--5.266-
D-(-)-Glutamine (2)D-GlutamineME389503--5.271-
DL-ArginineArginineME389505--5.386-
DL-Arginine (2)ArginineME389506--5.159-
entecavir-ME389507--4.945-
Fenson-ME389508--2.447-
GalactosamineGalactosamineME389509--3.809-
GlucosamineGlucosamineME389510--6.272-
Glucosamine (2)GlucosamineME389511--6.445-
Glu-GlyGlu-GlyME389512--4.214-
glu-proGlu-ProME389513--3.354-
GlycylglutamineGly-GlnME389514--3.852-
Gly-l-pro-ME389515--3.35-
HEPES-ME389516--4.678-
HexitolSorbitolME389517--4.258-
L-Aspartic acidAspartic acidME389518--7.582-
L-Aspartic acid (2)Aspartic acidME389519--5.058-
L-Glutamic acidGlutamic acidME389520--5.608-
L-Glutamic acid (2)Glutamic acidME389521--6.347-
L-TheanineN(5)-Ethyl-glutamineME389522--3.778-
LysylvalineLys-ValME389523--3.823-
MFCD01664827-ME389524--5.567-
MFCD01664827 (2)-ME389525--5.06-
muramic acidMuramic acidME389526--4.239-
muramic acid (2)Muramic acidME389527--4.019-
muramic acid (3)Muramic acidME389528--6.264-
N(2)-succinyl-L-ornithineN2-SuccinylornithineME389529--3.368-
N-(4-Amino-1-carboxybutyl)glutamic acid-ME389530--3.711-
N(6)-MethyladenosineN6-MethyladenosineME389531--5.191-
N-acetyl-beta-D-glucosaminylamineN-Acetyl-beta-glucosaminylamineME389533--3.914-
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME389534--3.885-
N-Acetyl-L-serineN-AcetylserineME389535--5.612-
N-Acetylneuraminic acidN-Acetylneuraminic acidME389536--4.362-
N-Acetylneuraminic acid (2)N-Acetylneuraminic acidME389537--6.741-
N,N-diacetyllegionaminic acid-ME389532--3.744-
N-Nitrosoguvacoline-ME389538--3.12-
N-Phenylacetyl pyroglutamic acid-ME389539--5.05-
N-UndecanoylglycineN-UndecanoylglycineME389540--2.5-
OrnithineOrnithineME389541--5.386-
Orotidine (2)OrotidineME389542--10.097-
Orotidine (3)OrotidineME389543--7.578-
Orotidine (4)OrotidineME389544--8.935-
Oxaceprol-ME389545--4.237-
Phosphoaspartate-ME389546--4.358-
[Similar to: 1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-G...-ME389396--4.3-
[Similar to: 1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-G...-ME389397--4.405-
[Similar to: 1-O-[(2β,3β,5ξ,9ξ,18ξ)-3-(β-D-G...-ME389398--4.334-
[Similar to: (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-...-ME389390--3.021-
[Similar to: (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-...-ME389391--3.267-
[Similar to: (2-{[7-(2-Fluorophenyl)-5,11-dioxo-2,...-ME389392--4.542-
[Similar to: (2-{[7-(2-Fluorophenyl)-5,11-dioxo-2,...-ME389393--5.408-
[Similar to: 2-(Methylsulfonyl)-3-(pyrazin-2-ylami...-ME389399--2.849-
[Similar to: 2-(Methylsulfonyl)-3-(pyrazin-2-ylami...-ME389400--7.586-
[Similar to: 3-({[6-(Acetylamino)-3-pyridinyl]amin...-ME389401--5.375-
[Similar to: 3-O-β-D-Glucopyranosylandrographolid...-ME389402--4.23-
[Similar to: (3β,5ξ,9ξ,18ξ)-22-Hydroxyolean-12...-ME389394--4.35-
[Similar to: (3β,5ξ,9ξ,18ξ)-22-Hydroxyolean-12...-ME389395--4.323-
[Similar to: 4-Benzyl-N-(3,5-dimethyl-4-isoxazolyl...-ME389403--3.441-
[Similar to: 4-Hydroxybenzoic acid; ΔMass: -0.010...-ME389404--3.235-
[Similar to: 4-Hydroxybenzoic acid; ΔMass: -0.046...-ME389405--3.181-
[Similar to: 5-Methyltetrahydrofolic acid; ΔMass:...-ME389406--4.772-
[Similar to: 9-Nitrooleate; ΔMass: 202.1946 Da]-ME389407--2.777-
[Similar to: Acetylarginine; ΔMass: -305.7956 Da]-ME389408--5.749-
[Similar to: Argininosuccinic acid; ΔMass: 157.08...-ME389409--5.549-
[Similar to: Argininosuccinic acid; ΔMass: 80.181...-ME389410--5.508-
[Similar to: Argininosuccinic acid; ΔMass: 80.270...-ME389411--5.377-
[Similar to: Colistin; ΔMass: 804.8467 Da]-ME389412--4.623-
[Similar to: D-(-)-Glutamine; ΔMass: -0.8868 Da]-ME389413--5.164-
[Similar to: D-(-)-Glutamine; ΔMass: -141.0403 Da...-ME389414--5.131-
[Similar to: D-(-)-Glutamine; ΔMass: -156.0422 Da...-ME389415--5.181-
[Similar to: D-(-)-Glutamine; ΔMass: -161.0149 Da...-ME389416--5.912-
[Similar to: D-(-)-Glutamine; ΔMass: -162.0530 Da...-ME389417--5.726-
[Similar to: D-(-)-Glutamine; ΔMass: -168.0513 Da...-ME389418--5.246-
[Similar to: D-(-)-Glutamine; ΔMass: -168.8110 Da...-ME389419--5.158-
[Similar to: D-(-)-Glutamine; ΔMass: -169.0353 Da...-ME389420--5.422-
[Similar to: DL-Arginine; ΔMass: -173.9140 Da]-ME389421--5.665-
[Similar to: DL-Dihydroorotic acid; ΔMass: 0.9487...-ME389422--5.397-
[Similar to: Ethyl 4-[2-(2,4-dinitrophenyl)hydrazo...-ME389423--2.657-
[Similar to: FMOC-L-α-alanine; ΔMass: -191.0859 ...-ME389424--4.14-
[Similar to: Guanidinosuccinic acid; ΔMass: -158....-ME389425--5.217-
[Similar to: L-Aspartic acid; ΔMass: 0.9489 Da]-ME389426--5.109-
[Similar to: L-Aspartic acid; ΔMass: -0.9828 Da]-ME389427--7.576-
[Similar to: L-Glutamic acid; ΔMass: -0.9190 Da]-ME389428--6.108-
[Similar to: L-Glutamic acid; ΔMass: -147.0533 Da...-ME389429--5.698-
[Similar to: L-Glutamic acid; ΔMass: -162.9859 Da...-ME389430--7.574-
[Similar to: L-Glutamic acid; ΔMass: -169.0354 Da...-ME389431--5.653-
[Similar to: L-Glutamic acid; ΔMass: -174.1117 Da...-ME389432--5.523-
[Similar to: L-Glutamic acid; ΔMass: -185.0090 Da...-ME389433--5.662-
[Similar to: L-Glutamic acid; ΔMass: -191.0172 Da...-ME389434--5.719-
[Similar to: L-Glutamic acid; ΔMass: -347.2398 Da...-ME389435--5.33-
[Similar to: L-Glutamic acid; ΔMass: -348.2240 Da...-ME389436--5.505-
[Similar to: L-Histidinol; ΔMass: 17.0278 Da]-ME389437--3.354-
[Similar to: Lincomycin; ΔMass: 286.1724 Da]-ME389438--4.319-
[Similar to: Microcystin RR; ΔMass: 907.5404 Da]-ME389439--5.618-
[Similar to: N-{2-[(4-Chlorobenzyl)thio]ethyl}-2-f...-ME389442--5.247-
[Similar to: N4-(2,1,3-Benzoxadiazol-5-yl)morpholi...-ME389443--3.727-
[Similar to: N4-(2,1,3-Benzoxadiazol-5-yl)morpholi...-ME389444--4.95-
[Similar to: N4-(2,1,3-Benzoxadiazol-5-yl)morpholi...-ME389445--4.776-
[Similar to: N-(4,6-Dimethyl-2-pyrimidinyl)-4-({[2...-ME389440--5.275-
[Similar to: N-(4,6-Dimethyl-2-pyrimidinyl)-4-({[2...-ME389441--3.454-
[Similar to: N4-Acetylcytidine; ΔMass: 127.0280 D...-ME389446--3.751-
[Similar to: N4-Acetylcytidine; ΔMass: 175.0494 D...-ME389447--3.442-
[Similar to: N-Acetyl-1-aspartylglutamic acid; ΔM...-ME389448--6.18-
[Similar to: N-Acetyl-1-aspartylglutamic acid; ΔM...-ME389449--6.405-
[Similar to: N-Acetyl-1-aspartylglutamic acid; ΔM...-ME389450--5.711-
[Similar to: N-Acetyl-L-alanyl-L-alanyl-L-alanine;...-ME389451--5.38-
[Similar to: NAT19-353652_NEG; ΔMass: 209.1544 Da...-ME389452--4.335-
[Similar to: NAT19-353652_NEG; ΔMass: 227.1646 Da...-ME389453--4.344-
[Similar to: Niflumic acid; ΔMass: -83.0869 Da]-ME389454--3.859-
[Similar to: Niflumic acid; ΔMass: -84.0833 Da]-ME389455--3.854-
[Similar to: N-Methyl-D-aspartic acid (NMDA); ΔMa...-ME389456--5.497-
[Similar to: N-Phenylacetylglutamine; ΔMass: -23....-ME389457--5.185-
[Similar to: N-Phenylacetylglutamine; ΔMass: 50.0...-ME389458--5.228-
[Similar to: N-Phenylacetylglutamine; ΔMass: 50.2...-ME389459--5.373-
[Similar to: S-Methyl-L-thiocitrulline; ΔMass: 47...-ME389460--5.715-
[Similar to: Testosterone sulfate; ΔMass: 130.049...-ME389461--5.012-
[Similar to: Threonine; ΔMass: -140.9466 Da]-ME389462--4.968-
[Similar to: Threonine; ΔMass: -141.0403 Da]-ME389463--4.98-
[Similar to: Threonine; ΔMass: -157.0143 Da]-ME389464--4.973-
[Similar to: Threonine; ΔMass: -162.8575 Da]-ME389465--5.054-
[Similar to: Threonine; ΔMass: -162.9285 Da]-ME389466--5.063-
[Similar to: Threonine; ΔMass: -308.6362 Da]-ME389467--5.199-
[Similar to: Threonine; ΔMass: -314.8063 Da]-ME389468--5.067-
[Similar to: Threonine; ΔMass: -320.1220 Da]-ME389469--4.869-
[Similar to: Threonine; ΔMass: -334.8719 Da]-ME389470--4.829-
[Similar to: Threonine; ΔMass: -67.9866 Da]-ME389471--4.955-
[Similar to: Threonine; ΔMass: -84.8407 Da]-ME389472--5.189-
[Similar to: Trigoneoside Xb; ΔMass: 758.4463 Da]-ME389473--4.322-
[Similar to: Tyrosylalanine; ΔMass: -56.0112 Da]-ME389474--5.463-
ThreonineThreonineME389547--5.032-
ThreonylserineThr-SerME389548--4.249-
val-argVal-ArgME389549--3.802-
β-Alaninebeta-AlanineME389550--7.585-
Υ-Aminobutyric acid (GABA)gamma-Aminobutyric acidME389551--5.605-


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