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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
Poppy acidPoppy acidME947417--0.645-
SpermidineSpermidineME947328--0.652-
2-Acetylthiazole2-AcetylthiazoleME947298--0.669-
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME947325--0.67-
4-Oxo-1-(3-pyridyl)-1-butanone-ME947357--0.67-
Captopril-cysteine disulfide-ME947588--0.67-
5-Hydroxy-2-furoic acid5-Hydroxy-2-furoic acidME947300--0.671-
1-Methylpyrrolinium1-MethylpyrroliniumME947266--0.674-
N8-AcetylspermidineN8-AcetylspermidineME947402--0.705-
Homo-L-arginineHomoarginineME947403--0.71-
Pipecolic acidPipecolic acidME947302--0.718-
N1-AcetylspermineN1-AcetylspermineME947479--0.723-
L-LysineLysineME947332--0.725-
OrnithineOrnithineME947311--0.725-
SpermineSpermineME947428--0.736-
L-HistidineHistidineME947347--0.741-
PyridoxaminePyridoxamineME947366--0.745-
Ethyl 4-(acetylthio)butyrate-ME947407--0.746-
MethoxsalenMethoxsalenME947443--0.755-
Polyvidone-ME947385--0.756-
Allantoic acidAllantoic acidME947384--0.757-
Geranyl acetoacetateGeranyl acetoacetateME947469--0.757-
Propyl 1-(propylsulfinyl)propyl disulfide-ME947472--0.757-
L-ArginineArginineME947381--0.759-
Eremopetasidione-ME947465--0.761-
2.5-Dichloro-4-oxohex-2-enedioate-ME947454--0.77-
Cyclobrassinone-ME947463--0.776-
Succinylacetoacetate-ME947422--0.817-
2.4-Dihydroxy-nitrophenol-ME947346--0.827-
Ureidopropionic acidUreidopropionic acidME947310--0.831-
TriethanolamineTriethanolamineME947341--0.832-
beta-Alaninebeta-AlanineME947268--0.837-
"Hydrochlorothiazide"HydrochlorothiazideME947544--0.837-
L-SerineSerineME947274--0.843-
5-Aminolevulinic acid5-Amino-levulinic acidME947306--0.847-
L-ThreonineThreonineME947290--0.847-
Gerberinol-ME947603--0.848-
TaurineTaurineME947297--0.849-
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME947327--0.851-
N-MethylnicotinamideN-MethylnicotinamideME947319--0.851-
L-Glutamic acidGlutamic acidME947333--0.853-
2.2.2-Trichloroethanol-ME947334--0.855-
L-Aspartic acidAspartic acidME947313--0.856-
Symmetric dimethylarginineSymmetric dimethylarginineME947425--0.856-
L-CarnitineCarnitineME947353--0.858-
PyridinePyridineME947265--0.863-
N-Acetylneuraminic acidN-Acetylneuraminic acidME947563--0.864-
PhosphatePhosphoric acidME947270--0.866-
Pyroglutamic acidPyroglutamic acidME947301--0.866-
L-ProlineProlineME947284--0.875-
N1.N8-Diacetylspermidine-ME947459--0.878-
CreatinineCreatinineME947280--0.881-
DiacetylDiacetylME947267--0.881-
CytosineCytosineME947277--0.882-
Cyclic GMP3',5' cyclic GMPME947593--0.883-
CytidineCytidineME947475--0.883-
Uridine 5'-monophosphateUMPME947577--0.883-
BetaineBetaineME947286--0.884-
L-AcetylcarnitineCAR 2:0ME947431--0.885-
N-AcetylputrescineN-AcetylputrescineME947305--0.885-
Proline betaineProline betaineME947324--0.885-
Adenosine monophosphateAMPME947594--0.887-
CreatineCreatineME947307--0.889-
GlycodiazineGlycodiazineME947562--0.889-
cis-p-Coumaric acidcis-p-Coumaric acidME947358--0.89-
1-(2.3-Dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one-ME947352--0.891-
2-Acetyl-4-methylpyridine-ME947317--0.892-
(-)-EpigallocatechinEpigallocatechinME947556--0.892-
Inosinic acidIMPME947595--0.892-
GlutathioneGlutathioneME947558--0.894-
Guanosine monophosphateGMPME947602--0.894-
PirbuterolPirbuterolME947473--0.894-
ThioprolineThioprolineME947312--0.895-
Beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME947573--0.897-
Trimetaphosphoric acid-ME947471--0.897-
UracilUracilME947278--0.897-
GuanineGuanineME947343--0.898-
PyridoxalPyridoxalME947364--0.902-
Glycerophosphocholinesn-Glycero-3-phosphocholineME947500--0.906-
Methylimidazoleacetic acidMethylimidazoleacetic acidME947322--0.913-
AdenineAdenineME947316--0.917-
N-methyl-L-glutamic AcidN-Methyl-glutamic acidME947351--0.918-
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME947326--0.919-
Muramic acidMuramic acidME947495--0.919-
(S)-2-Propylpiperidine-ME947299--0.927-
Tetraethylene glycolTetraethylene glycolME947413--0.929-
1-O-Galloylglycerol-ME947477--0.945-
NiacinamideNiacinamideME947294--0.949-
2-hydroxy-3-(sulfooxy)butanedioic acid-ME947460--0.976-
Edetic AcidEDTAME947536--0.983-
Benzoic acid sulfate-ME947421--0.985-
2-Bromophenol2-BromophenolME947376--1.004-
MG(0:0/14:1(9Z)/0:0)MG 0:0/14:1(9Z)/0:0ME947552--10.081-
?Protocatechuic acid 3-O-sulfateProtocatechuic acid 3-sulfateME947464--1.009-
GalactosylsphingosinePsychosineME947643--10.1-
11-nitro-1-undecene-ME947416--10.104-
Palmitic amidePalmitamideME947499--10.115-
3-Methylcyclopentadecanone-ME947470--10.127-
Piperochromanoic acid-ME947599--10.22-
trans-Dec-2-enoic acid2-Decenoic acidME947372--10.349-
OleamideOleamideME947528--10.357-
(R)-2-Hydroxysterculic acid-ME947565--10.376-
Diisobutyl adipateDiisobutyl adipateME947502--10.519-
Dibutyl decanedioateDibutyl decanedioateME947567--10.524-
CapsiamideCapsiamideME947512--10.528-
1beta-Hydroxycholic acid-ME947627--10.53-
N2-Succinyl-L-glutamic acid 5-semialdehyde-ME947461--10.609-
Palmitoyl Serinol-ME947584--10.69-
AlverineAlverineME947527--10.698-
Hexylbenzene-ME947356--10.741-
Galactosylceramide (d18:1/16:0)-ME947679--10.856-
alpha-Ionenealpha-IoneneME947382--10.876-
Methyl dihydrojasmonateMethyl dihydrojasmonateME947455--10.899-
2-Propenyl cyclohexanebutanoate-ME947436--10.91-
ArachidonoylcholineArachidonoylcholineME947614--10.911-
2.3-Diisopropyl-5-methylphenol-ME947412--10.919-
beta-Citraurol-ME947633--10.927-
1-Isothiocyanato-7-(methylthio)heptane1-Isothiocyanato-7-(methylthio)heptaneME947430--10.971-
Glycyrrhetinic acidGlycyrrhetinic acidME947647--10.98-
17alpha.21-Dihydroxypregnenolone-ME947596--11-
OctadecanamideStearamideME947530--11.24-
Zederone-ME947485--11.275-
1.2.4-Nonadecanetriol-ME947569--11.384-
TetracosanoylglycineNA-Gly 24:0ME947629--11.422-
N-HexadecanoylpyrrolidineEthyl 2-pyrrolecarboxylateME947564--11.428-
12-Oxo-2.3-dinor-10.15-phytodienoic acid-ME947506--11.512-
Cinnamyl alcoholCinnamyl alcoholME947315--11.526-
PC(14:1(9Z)/14:1(9Z))PC 14:1(9Z)/14:1(9Z)ME947678--11.582-
(S)-3-Butyl-1(3H)-isobenzofuranone-ME947408--11.589-
3-Chlorotyrosine3-ChlorotyrosineME947440--11.602-
2.2-dichloro-1.1-ethanediol-ME947303--1.205-
MG(18:1(9Z)/0:0/0:0)MG 18:1(9Z)/0:0/0:0ME947600--12.203-
Aspidospermatine-ME947591--12.412-
Pipercitine-ME947597--12.443-
TridemorphTridemorphME947549--12.525-
Terephthalic acidTerephthalic acidME947361--12.596-
Nutriacholic acid7-Ketolithocholic acidME947613--12.598-
1-Octene1-OcteneME947279--12.602-
2-Ketobutyric acid3-Methyl pyruvic acidME947273--1.264-
BenzaldehydeBenzaldehydeME947275--1.265-
GlutaralGlutaralME947271--12.725-
Adipic acidAdipic acidME947331--12.733-
7-Ketocholesterol7-Oxo-cholesterolME947619--12.869-
N-hexacosanoylglycineNA-Gly 26:0ME947641--12.958-
CoumarinCoumarinME947330--1.3-
Pyridine N-oxide glucuronide-ME947516--1.303-
Phenol sulphatePhenyl hydrogen sulfateME947379--1.304-
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME947665--13.042-
L-MethionineMethionineME947340--1.309-
3-Methyl sulfolene-ME947309--1.31-
gamma-Glutamylcysteinegamma-GlutamylcysteineME947493--1.311-
Benzoic acidBenzoic acidME947293--1.312-
HypoxanthineHypoxanthineME947318--1.312-
XanthineXanthineME947344--1.313-
L-TyrosineTyrosineME947394--1.314-
2.4.6-Octatriyn-1-ol-ME947289--1.315-
Methylmalonic acidMethylmalonic acidME947288--1.316-
Cysteic acidCysteic acidME947369--1.32-
Pentylbenzene-ME947338--13.45-
alpha-Curcumene-ME947427--13.451-
L-LeucineLeucineME947308--1.474-
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME947529--1.49-
InosineInosineME947510--1.493-
AdenosineAdenosineME947508--1.494-
Lithocholic acid glycine conjugateGlycolithocholic acidME947632--14.942-
LacCer(d18:1/16:0)LacCer 18:1;O2/16:0ME947680--15.39-
DG(14:0/18:3(6Z.9Z.12Z)/0:0)DG 14:0/18:3(6Z9Z12Z)/0:0*ME947670--15.434-
Heptanoic acidHeptylic acidME947304--15.444-
Nicotine-1'-N-oxide-ME947387--15.534-
Glycerol tripropanoate-ME947503--15.535-
N-Nitroso-pyrrolidineN-Nitroso-pyrrolidineME947272--15.537-
2-Diethylaminoethanol2-DiethylaminoethanolME947287--15.538-
NicotineNicotineME947354--15.538-
DithianonDithianonME947542--15.547-
2-Octenedioic acid2-Octenedioic acidME947377--15.553-
D-Phenyllactic acidL-3-Phenyllactic acidME947362--15.557-
CarmustineCarmustineME947438--15.573-
Polystyrene sulfonate-ME947396--15.575-
Phosphohydroxypyruvic acidPhosphohydroxypyruvic acidME947395--15.583-
IndolepyruvateIndolepyruvic acidME947429--15.593-
Amidosulfonic acid-ME947269--15.61-
Penmacric acid-ME947423--15.61-
Phosphoglycolic acidPhosphoglycolic acidME947348--15.612-
Parabanic AcidParabanic acidME947281--15.626-
Oxoglutaric acid2-Oxoglutaric acidME947329--15.636-
Pyrazin-2-carboxylic acid-ME947296--15.638-
"Trifluoromethyl-bismethyl ketone"-ME947321--15.638-
1-Methoxy-1H-indole-3-acetonitrile-ME947398--15.639-
Tyrosol 4-sulfateCoenzyme Q9ME947446--15.701-
Nitroprusside-ME947442--15.735-
1-Methylnaphthalene-ME947323--15.752-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME947449--1.597-
ChlorzoxazoneChlorzoxazoneME947368--15.996-
7-Aminomethyl-7-carbaguanine7-Aminomethyl-7-carbaguanineME947390--1.677-
S-Acetyldihydrolipoamide-E-ME947489--1.735-
Cinnamic acidtrans-Cinnamic acidME947337--1.752-
L-PhenylalaninePhenylalanineME947360--1.753-
N-Acetyl-L-methionineN-AcetylmethionineME947409--1.765-
(3-Nitroamino)alanine-ME947339--1.827-
Pantothenic acidPantothenic acidME947448--1.827-
ButyrylcarnitineCAR 4:0ME947462--1.885-
5'-Methylthioadenosine5'-MethylthioadenosineME947545--1.986-
Indoleacrylic acidIndoleacrylic acidME947399--1.995-
IndoleIndoleME947285--2.01-
CyromazineCyromazineME947363--2.077-
2-MethylbutyroylcarnitineCAR 4:0;2MeME947482--2.187-
N.N-Dimethylaniline-ME947292--2.257-
PropionylcarnitineCAR 3:0ME947444--2.279-
RasagilineRasagilineME947373--2.355-
PrimidonePrimidoneME947447--2.366-
Hippuric acidHippuric acidME947389--2.406-
Mintsulfide-ME947466--2.486-
HomoarecolineHomoarecolineME947371--2.527-
p-Xylenep-XyleneME947276--2.529-
3-Allyl-1-cyclohexene-ME947295--2.55-
Etonogestrel-ME947578--2.624-
Ethyl glucuronideEthyl glucuronideME947452--2.66-
TetrahydrobiopterinSapropterinME947474--2.684-
Jasmonic acidJasmonic acidME947435--2.703-
ScopoletinScopoletinME947410--2.738-
GabapentinGabapentinME947374--2.763-
2-O-p-Coumaroyltartronic acid-ME947507--2.835-
1-(4-Methoxyphenyl)-2-propanone1-(4-Methoxyphenyl)-2-propanoneME947359--2.836-
Penicilloic acid-ME947598--2.861-
Shikimic acidShikimic acidME947380--2.87-
15-Acetyl-4-deoxynivalenol-ME947590--2.88-
ProlintaneProlintaneME947445--3.054-
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME947388--3.135-
Quinic acidQuinic acidME947411--3.142-
Pyridoxine 5'-phosphatePyridoxine 5'-phosphateME947488--3.148-
GemfibrozilGemfibrozilME947494--3.162-
Hexyl 2-furoateHexyl 2-furoateME947414--3.183-
1.3.7-Octanetriol1,3,7-OctanetriolME947355--3.219-
CapryloylglycineNA-Gly 8:0ME947420--3.365-
1.2.3-Tris(1-ethoxyethoxy)propane-ME947561--3.376-
SelenomethionineSelenomethionineME947415--3.517-
PropylparabenPropylparabenME947392--3.572-
N-DecanoylglycineNA-Gly 10:0ME947458--3.824-
(±)-Camphoric acidCamphoric acidME947418--3.993-
(S)-3-Octanol glucoside-ME947537--4.038-
N-AcetylmuramateN-Acetylmuramic acidME947540--4.088-
CrotamitonCrotamitonME947432--4.114-
"N-Undecanoylglycine"NA-Gly 11:0ME947476--4.364-
(S)-Annocherine A-ME947546--4.37-
2.3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine-ME947400--4.375-
Lambertine-ME947589--4.382-
3.5.5-Trimethyl-3-cyclohexen-1-one-ME947320--4.386-
N-NonanoylglycineNA-Gly 9:0ME947441--4.475-
Sebacic acidSebacic acidME947424--4.493-
TraumatinTraumatinME947437--4.515-
Geranic acidGeranic acidME947367--4.587-
Triethyl citrateTriethyl citrateME947519--4.603-
S-3-oxodecanoyl cysteamine-ME947481--4.639-
3.4-Dihydroxybenzeneacetic acid-ME947365--4.646-
N-Acetyldehydroanonaine-ME947555--4.67-
MetoprololMetoprololME947509--4.83-
PhytosphingosinePhytosphingosineME947570--4.86-
6-Hydroxypentadecanedioic acid-ME947533--4.963-
(E)-4.8-Dimethyl-1.3.7-nonatriene-ME947342--5.112-
1.2.3.4.Tetrahydro-1.5.7-trimethylnapthalene-ME947383--5.121-
2-benzylheptan-1-ol-ME947434--5.165-
N-DesmethyltramadolN-DesmethyltramadolME947491--5.19-
Menthol-glucoronide-ME947568--5.299-
"3-tert-Butyl-4-hydroxyanisole"-ME947393--5.34-
LysoPE(15:0/0:0)LPE 15:0/0:0ME947636--5.457-
AsparaginylasparagineAsn-AsnME947484--5.47-
TridecanoylglycineNA-Gly 13:0ME947515--5.522-
N.2.3-Trimethyl-2-(1-methylethyl)butanamide-ME947375--5.607-
Capric acidCapric acidME947378--5.658-
HeptanalEnanthaldehydeME947282--5.66-
Palmitoleic acidPalmitoleic acidME947498--5.665-
SphinganineSphinganineME947553--5.705-
NobiletinNobiletinME947620--5.728-
Aminoparathion-ME947504--5.732-
N-Despyridinyl rosiglitazone-ME947526--5.851-
Cinnamyl cinnamate-ME947505--5.853-
N-LauroylglycineNA-Gly 12:0ME947501--5.905-
Ibopamine-ME947560--5.925-
PalmitoylethanolamidePalmitoyl-EAME947551--6.021-
Nicotinuric acidNicotinuric acidME947391--6.069-
Kynurenic acidKynurenic acidME947405--6.081-
ChloramphenicolChloramphenicolME947575--6.084-
Propyl propane thiosulfonate-ME947457--6.087-
MG(0:0/10:0/0:0)MG 0:0/10:0/0:0*ME947486--6.119-
TetradecanoylcarnitineCAR 14:0ME947609--6.202-
Tangeritin-ME947610--6.262-
[3-(4-methoxyphenyl)propoxy]sulfonic acid-ME947483--6.265-
1-Hydroxypyrene glucuronide-ME947615--6.286-
N-Oleoyl tyrosineNA-Tyr 18:1(9Z)ME947637--6.32-
Protoporphyrin IXProtoporphyrinME947669--6.374-
9-HexadecenoylcarnitineCAR 16:1ME947617--6.483-
LysoPE(20:5(5Z.8Z.11Z.14Z.17Z)/0:0)LPE 20:5(5Z8Z11Z14Z17Z)/0:0*ME947655--6.604-
LysoPC(14:0/0:0)LPC 14:0/0:0ME947646--6.607-
PentadecanoylcarnitineCAR 15:0ME947612--6.636-
EplerenoneEplerenoneME947624--6.643-
NeopterinNeopterinME947497--6.648-
OxaprozinOxaprozinME947539--6.651-
3-Hydroxy-carbofuran3-HydroxycarbofuranME947467--6.652-
LysoPC(20:5(5Z.8Z.11Z.14Z.17Z)/0:0)LPC 20:5(5Z8Z11Z14Z17Z)/0:0*ME947666--6.652-
Tetraphyllin B sulfateTetraphyllin B sulfateME947604--6.653-
6-O-Oleuropeoylsucrose-ME947658--6.656-
7-Hydroxy-2-methylisoflavone-ME947496--6.657-
PantetheinePantetheineME947521--6.657-
Hesperetin 7-sulfateHesperetin 7-sulfateME947611--6.662-
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME947639--6.741-
ArachidonoylcarnitineCAR 20:4ME947638--6.754-
Linoleyl carnitineCAR 18:2ME947626--6.76-
CilostazolCilostazolME947605--6.805-
StearoylethanolamideStearoyl-EAME947582--6.816-
Myristoleic acidMyristoleic acidME947456--7.005-
LysoPC(16:1(9Z)/0:0)LPC 16:1(9Z)/0:0ME947653--7.034-
L-PalmitoylcarnitineCAR 16:0ME947618--7.066-
DiphenylamineDiphenylamineME947370--7.131-
LysoPE(22:6(4Z.7Z.10Z.13Z.16Z.19Z)/0:0)LPE 22:6(4Z7Z10Z13Z16Z19Z)/0:0*ME947663--7.205-
LysoPE(18:2(9Z.12Z)/0:0)LPE 18:2(9Z12Z)/0:0*ME947648--7.208-
"LysoPC(22:6(4Z.7Z.10Z.13Z.16Z.19Z)/0:0)"LPC 22:6(4Z7Z10Z13Z16Z19Z)/0:0*ME947671--7.241-
StreptomycinStreptomycinME947674--7.264-
LysoPC(20:4(5Z.8Z.11Z.14Z)/0:0)LPC 20:4(5Z8Z11Z14Z)/0:0*ME947667--7.272-
OleoylcarnitineCAR 18:1(9Z)ME947628--7.278-
OctadecylamineOctadecylamineME947513--7.29-
(9S.10E.12S.13S)-9.12.13-Trihydroxy-10-octadecenoi...-ME947585--7.321-
1-(1-Methylethenyl)-4-(1-methylethyl)benzene-ME947350--7.328-
Thromboxane B2TXB2ME947608--7.332-
3.4-Dihydrocadalene-ME947419--7.351-
LysoPC(0:0/18:2(9Z.12Z))LPC 0:0/18:2(9Z12Z)*ME947660--7.37-
LysoPE(20:1(11Z)/0:0)LPE 20:1(11Z)/0:0*ME947656--7.375-
Melatonin radicalMelatoninME947490--7.409-
RutacridoneRutacridoneME947559--7.418-
(E)-1-Propenyl 1-(propylthio)propyl disulfide-ME947451--7.434-
Heptadecanoyl carnitineCAR 17:0ME947623--7.495-
"LysoPC(22:5(7Z.10Z.13Z.16Z.19Z)/0:0)"LPC 22:5(7Z10Z13Z16Z19Z)/0:0*ME947672--7.535-
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one-ME947579--7.621-
LysoPE(16:0/0:0)LPE 16:0/0:0ME947640--7.782-
4-Hydroxynonenal4-HydroxynonenalME947349--7.783-
2-Phenylaminoadenosine2-PhenylaminoadenosineME947601--7.864-
LysoPC(16:0/0:0)LPC 16:0/0:0ME947654--7.866-
EtodolacEtodolacME947532--7.867-
xi-5-Hydroxydecanoic acid-ME947404--7.867-
StearoylcarnitineCAR 18:0ME947630--7.889-
Drotaverine-ME947616--7.97-
2.6-Di-tert-butyl-4-methylphenol-ME947450--7.991-
LinolenateOctadecatrienoic acidME947523--8.003-
Docosapentaenoic acidDocosapentaenoic acidME947586--8.069-
3-Hydroxynonyl acetate-ME947426--8.085-
LysoPE(22:4(7Z.10Z.13Z.16Z)/0:0)LPE 22:4(7Z10Z13Z16Z)/0:0*ME947664--8.109-
LysoPE(18:1(9Z)/0:0)LPE 18:1(9Z)/0:0ME947649--8.137-
Undecylenic acid10-Hendecenoic acidME947397--8.14-
3-Oxohexadecanoic acid3-Ketopalmitic acidME947514--8.142-
LysoPE(P-16:0/0:0)LPE P-16:0ME947634--8.165-
"LysoPC(22:4(7Z.10Z.13Z.16Z)/0:0)"LPC 22:4(7Z10Z13Z16Z)/0:0*ME947673--8.167-
LysoPC(18:1(11Z)/0:0)LPC 18:1(11Z)/0:0*ME947661--8.217-
3-Oxododecanoic acid3-Oxododecanoic acidME947439--8.254-
1.11-Undecanedicarboxylic acid-ME947478--8.269-
Eicosapentaenoic acidEicosapentaenoic acidME947554--8.275-
8.8-Diethoxy-2.6-dimethyl-2-octanol-ME947487--8.279-
NonivamideNonivamideME947541--8.287-
Eucalyptol1,8-CineolME947345--8.297-
Valproic acid glucuronideValproic acid glucuronideME947572--8.335-
LysoPC(P-16:0/0:0)LPC P-16:0ME947650--8.342-
CPA(18:2(9Z.12Z)/0:0)-ME947625--8.375-
LysoPI(18:0/0:0)LPI 18:0/0:0ME947675--8.468-
LysoPE(P-18:1(9Z)/0:0)-ME947644--8.47-
Docosahexaenoic acidDocosahexaenoic acidME947583--8.48-
CyclandelateCyclandelateME947520--8.489-
15.16-DiHODE15,16-DiHODEME947566--8.558-
3-Hydroxyflavone3-HydroxyflavoneME947468--8.618-
LysoPC(10:0/0:0)LPC 10:0/0:0ME947622--8.62-
Palmitoleoylethanolamde-ME947548--8.648-
Arachidyl carnitineCAR 20:0ME947642--8.678-
NorgestimateNorgestimateME947606--8.722-
Cyclohexaneundecanoic acidCyclohexaneundecanoic acidME947511--8.726-
2-Hydroxy-1.4-benzoxazin-3-one sulfate-ME947480--8.786-
5-Hydroxyindole5-HydroxyindoleME947314--8.793-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME947406--8.796-
Dibutyl phthalateDibutyl phthalateME947522--8.798-
EstramustineEstramustineME947635--8.799-
Phenethylamine glucuronide-ME947547--8.799-
2-Oxo-4-methylthiobutanoic acid2-Oxo-4-methylthiobutanoic acidME947335--8.803-
ErgonovineErgonovineME947580--8.807-
MonobutylphthalateMonobutylphthalateME947453--8.811-
Taraxacolide 1-O-b-D-glucopyranoside-ME947631--8.815-
ChloropyramineChloropyramineME947535--8.823-
Estradiolbeta-EstradiolME947518--8.856-
12.13-EpOME12(13)-EpOMEME947543--8.925-
OxandroloneOxandroloneME947557--8.988-
OxamniquineOxamniquineME947524--8.997-
PE(14:1(9Z)/14:0)PE 14:1(9Z)/14:0*ME947676--9.053-
LysoPE(18:0/0:0)LPE 18:0/0:0ME947651--9.093-
Linoleoyl ethanolamideLinoleoyl-EAME947576--9.144-
AcetophenoneAcetophenoneME947291--9.16-
4-Methoxycinnamic acid4-Methoxycinnamic acidME947386--9.19-
"cis-5-Tetradecenoylcarnitine"CAR 14:1ME947607--9.225-
N-HeptanoylglycineNA-Gly 7:0ME947401--9.233-
LysoPC(18:0/0:0)LPC 18:0/0:0ME947662--9.235-
8.9-DiHETrE8,9-DiHETrEME947592--9.257-
beta-Caryophyllenebeta-CaryophylleneME947433--9.261-
Ricinoleic acidRicinoleic acidME947550--9.278-
Alpha-Linolenoyl ethanolamidealpha-Linolenoyl-EAME947574--9.359-
RetinolRetinolME947531--9.369-
1-Isothiocyanatobutane-ME947283--9.461-
GlcCer(d18:1/12:0)GlcCer 18:1;O2/12:0ME947677--9.489-
LysoPC(20:1(11Z)/0:0)LPC 20:1(11Z)/0:0*ME947668--9.493-
LysoPE(P-18:0/0:0)LPE P-18:0ME947645--9.497-
ArbutinArbutinME947517--9.519-
AndrostanediolAndrostanediolME947538--9.557-
PipericineNA-PipericineME947587--9.579-
(S)-10.16-Dihydroxyhexadecanoic acid-ME947534--9.582-
LysoPG(16:0/0:0)LPG 16:0/0:0ME947652--9.583-
LinoleamideLinoleamideME947525--9.595-
TridihexethylTridihexethylME947571--9.686-
3-Oxocholic acid3-Dehydrocholic acidME947621--9.845-
DiflunisalDiflunisalME947492--9.854-
LysoPC(P-18:0/0:0)LPC P-18:0ME947657--9.854-
LysoPC(O-18:0/0:0)-ME947659--9.879-
L-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME947336--9.918-
OleoylethanolamideOleoyl-EAME947581--9.949-


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
Oxalic acidOxalic acidME947681--0.022-
L-LysineLysineME947728--0.706-
Trifluoroacetic acidTrifluoroacetic acidME947690--0.757-
L-ArginineArginineME947758--0.764-
HexoseHexoseME947764--0.797-
L-HistidineHistidineME947738--0.801-
Oxalosuccinic acidOxalosuccinic acidME947771--0.803-
L-CystathionineCystathionineME947805--0.809-
Cyclobrassinone-ME947821--0.813-
GalactitolGalactitolME947766--0.814-
Ureidopropionic acidUreidopropionic acidME947713--0.814-
MethoxsalenMethoxsalenME947795--0.816-
L-ThreonineThreonineME947697--0.817-
5-Aminolevulinic acid5-Amino-levulinic acidME947708--0.82-
Acetylhistidine-ME947778--0.821-
D-glycero-L-galacto-Octulose-ME947827--0.821-
Piperic acidPiperic acidME947798--0.821-
L-Aspartic acidAspartic acidME947716--0.823-
Piperidic acidgamma-Aminobutyric acidME947686--0.824-
Gluconic acidGluconic acidME947777--0.825-
L-Glutamic acidGlutamic acidME947730--0.825-
TaurineTaurineME947699--0.825-
Cadmium-ME947688--0.827-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME947752--0.828-
CreatineCreatineME947709--0.831-
Cytidine monophosphateCMPME947906--0.836-
D-Glucuronic acidGlucuronic acidME947776--0.836-
Trimetaphosphoric acid-ME947825--0.842-
OrotidineOrotidineME947876--0.845-
CidofovirCidofovirME947869--0.852-
D-RiboseRiboseME947734--0.853-
N-Acetylneuraminic acidN-Acetylneuraminic acidME947898--0.854-
Pyroglutamic acidPyroglutamic acidME947704--0.86-
L-ProlineProlineME947691--0.863-
GuanineGuanineME947735--0.865-
gamma-Glutamylcysteinegamma-GlutamylcysteineME947841--0.866-
UridineUridineME947834--0.869-
dCDPdCDPME947937--0.872-
D-Ribulose 5-phosphateRibulose 5-phosphateME947817--0.872-
GlutathioneGlutathioneME947896--0.872-
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME947892--0.873-
Adenosine monophosphateAMPME947920--0.874-
Malic acidMalic acidME947717--0.874-
Xanthylic acidXMPME947928--0.875-
Glycerol 3-phosphatesn-Glycero-3-phosphateME947755--0.877-
ThioprolineThioprolineME947715--0.877-
Oxoglutaric acid2-Oxoglutaric acidME947725--0.878-
Guanosine diphosphateGDPME947957--0.879-
Uridine 5'-monophosphateUMPME947907--0.879-
ADPADPME947953--0.88-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME947760--0.882-
CelecoxibCelecoxibME947936--0.883-
Beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME947904--0.884-
L-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME947731--0.885-
Guanosine monophosphateGMPME947927--0.887-
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME947770--0.888-
Itaconic acidItaconic acidME947706--0.892-
Citric acidCitric acidME947774--0.893-
1.1-Dibromo-2-propanone-ME947791--0.898-
Fucose 1-phosphateFucose 1-phosphateME947833--0.903-
1.1.1-Trichloroethane-ME947711--0.927-
EthylphosphateEthylphosphateME947701--0.929-
SulfateSulfateME947683--0.932-
PyrophosphatePyrophosphateME947761--0.935-
PhosphatePhosphoric acidME947684--0.936-
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME947754--0.945-
Uridine diphosphate glucoseUDP-glucoseME947975--0.964-
UDP-N-acetyl-alpha-D-galactosamineUDP-N-acetylgalactosamineME947976--0.967-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME947700--0.971-
2.4-Dibromophenol-ME947839--0.993-
Docosahexaenoic acidDocosahexaenoic acidME947909--10.113-
Ricinoleic acidRicinoleic acidME947886--10.205-
Palmitoleic acidPalmitoleic acidME947846--10.221-
Arachidonic acidArachidonic acidME947893--10.292-
MG(0:0/14:1(9Z)/0:0)MG 0:0/14:1(9Z)/0:0ME947889--10.382-
Docosapentaenoic acidDocosapentaenoic acidME947912--10.421-
Linoelaidic acidLinoelaidic acidME947870--10.451-
AndrostanediolAndrostanediolME947878--10.468-
Pentadecanoic acidPentadecylic acidME947830--10.506-
3-Hydroxy-10'-apo-b.y-carotenal-ME947941--10.621-
Pamoic acid-ME947932--10.862-
2.3.4.5.6.7-Hexahydroxyheptanoic acid-ME947809--1.09-
5.8.11-Eicosatrienoic acid-ME947895--10.911-
Adrenic acidAdrenic acidME947913--10.966-
Ethyl tetradecanoateEthyl tetradecanoateME947847--11.016-
Oleic acidOleic acidME947871--11.18-
CyclandelateCyclandelateME947863--11.376-
Avocadene 1-acetate-ME947910--11.383-
Eicosadienoic acidEicosadienoic acidME947897--11.41-
Heptadecanoic acidMargaric acidME947856--11.411-
Methylselenic acid-ME947703--11.618-
4-Chloro-5-sulfamoylanthranilic acid-ME947840--11.619-
Oxoadipic acid2-Oxoadipic acidME947741--11.63-
BovinocidinBovinocidinME947696--11.631-
Kojic acidKojic acidME947722--11.648-
IbervirinIbervirinME947729--11.652-
NeopterinNeopterinME947845--11.683-
DecitabineDecitabineME947811--11.69-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME947900--11.691-
LysoPC(10:0/0:0)LPC 10:0/0:0ME947946--11.742-
2.4-Dichlorophenoxyacetic acid-ME947803--11.756-
Nonadecenoic acidNonadecenoic acidME947883--11.777-
Docosatrienoic acidDocosatrienoic acidME947914--11.779-
2-Methylacetophenone2-MethylacetophenoneME947949--11.892-
Myrsinone-ME947879--11.943-
4-Dodecylbenzenesulfonic Acid4-Dodecylbenzenesulfonic acidME947908--11.981-
Behenic acidBehenic acidME947918--12.002-
Tetracosanoic acidLignoceric acidME947931--12.074-
Nervonic acidNervonic acidME947930--12.119-
Ximenic acidXimenic acidME947942--12.146-
CanrenoneCanrenoneME947917--12.284-
Stearic acidStearic acidME947874--12.358-
Bisnorcholic acid-ME947935--12.359-
Glycerol-2-linoleneate-ME947924--12.374-
Heptadecanoyl carnitineCAR 17:0ME947947--12.411-
Prostaglandin E2 ethanolamidePGE2 ethanolamideME947943--12.499-
11Z-Eicosenoic acidcis-Gondoic acidME947899--12.5-
ThiosulfateThiosulfuric acidME947689--12.745-
DocosadienoateDocosadienoic acidME947915--12.826-
HypoxanthineHypoxanthineME947718--1.287-
UracilUracilME947687--1.287-
XanthineXanthineME947736--1.288-
?Protocatechuic acid 3-O-sulfateProtocatechuic acid 3-sulfateME947823--1.289-
Uric AcidUric acidME947751--1.289-
Inosinic acidIMPME947921--1.29-
Oxidized glutathioneOxidized glutathioneME947977--1.291-
L-MethionineMethionineME947732--1.293-
N-StearoyltaurineNA-Taurine 18:0ME947940--12.957-
CPA(18:2(9Z.12Z)/0:0)-ME947948--12.971-
L-ThyronineThyronineME947860--1.3-
L-TyrosineTyrosineME947765--1.3-
Methyl stearateMethyl stearateME947887--13.292-
3-Hydroxy-1-phenyl-1-eicosanone-ME947939--13.492-
L-Lactic acidLactic acidME947682--1.35-
Glycerolipid-ME947922--13.582-
Fumaric acidFumaric acidME947692--1.366-
Acetyldihydrolipoamide-ME947838--13.841-
Arachidic acidArachidic acidME947901--14.469-
Uracil mustard-ME947843--1.457-
L-LeucineLeucineME947710--1.459-
Erucic acidcis-Erucic acidME947916--14.591-
DOPA sulfate-ME947865--1.46-
Phosphoribosyl formamidocarboxamideFAICARME947929--1.466-
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME947872--1.47-
InosineInosineME947854--1.47-
dUDPdUDPME947938--1.472-
Methylmalonic acidMethylmalonic acidME947694--1.473-
Cholesterol sulfateCholesterol sulfateME947964--15.096-
3-Hydroxy-2-methylglutaric acid-ME947744--1.543-
ThymineThymineME947702--1.546-
Ribose-1-arsenate-ME947862--15.507-
2.2-dichloro-1.1-ethanediol-ME947705--15.539-
1-Methylnicotinamide1-Methyl nicotinamideME947719--15.547-
Hexachlorophene-ME947945--15.552-
2.6-Di-tert-butyl-4-methylphenol-ME947804--15.558-
Capric acidCapric acidME947756--15.561-
2-Ethylhexanoic acidalpha-Ethylcaproic acidME947723--15.565-
3-Iodopropanoic acid-ME947779--15.567-
2-Chloromaleylacetate2-ChloromaleylacetateME947773--15.682-
XanthosineXanthosineME947873--1.569-
Lead-ME947787--15.69-
2-hydroxy-3-(sulfooxy)butanedioic acid-ME947816--15.697-
4-Nitrophenyl phosphate4-Nitrophenyl phosphateME947801--15.717-
ThymidineThymidineME947829--1.691-
Glutaric acidGlutaric acidME947712--1.73-
Casimiroin-ME947822--1.734-
L-PhenylalaninePhenylalanineME947746--1.734-
Pantothenic acidPantothenic acidME947802--1.811-
Flavin adenine dinucleotideFADME947978--1.956-
5'-Methylthioadenosine5'-MethylthioadenosineME947884--1.971-
L-TryptophanTryptophanME947784--1.977-
IndoleIndoleME947693--1.995-
4-Oxo-1-(3-pyridyl)-1-butanone-ME947745--1.998-
Adipic acidAdipic acidME947726--2.026-
Valeric acidValeric acidME947685--2.031-
PantetheinePantetheineME947866--2.145-
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME947695--2.152-
N-Acetyl-L-methionineN-AcetylmethionineME947772--2.193-
EpicatechinEpicatechinME947877--2.337-
Pimelic acidPimelic acidME947742--2.353-
Terephthalic acidTerephthalic acidME947747--2.388-
Salicylic acidSalicylic acidME947720--2.403-
Hippuric acidHippuric acidME947762--2.41-
Benzoic acidBenzoic acidME947698--2.413-
KetoleucineKetoleucineME947707--2.458-
FenitrothionFenitrothionME947864--2.526-
N-HeptanoylglycineNA-Gly 7:0ME947768--2.527-
Histidylproline diketopiperazine-ME947837--2.549-
3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic ...-ME947788--2.604-
PhenylacetylglycinePhenylacetylglycineME947775--2.641-
6-Hydroxyhexanoic acid6-Hydroxycaproic acidME947714--2.683-
L-AcetylcarnitineCAR 2:0ME947783--2.706-
Suberic acidSuberic acidME947757--2.711-
Caffeic acid3,4-Dihydroxy-trans-cinnamic acidME947763--2.759-
3-Hydroxysebacic acid3-Hydroxysebacic acidME947800--2.77-
Phaseolic acidPhaseolic acidME947852--2.865-
D-Phenyllactic acidL-3-Phenyllactic acidME947749--2.907-
Indolelactic acidIndolelactic acidME947785--2.99-
ArecolineArecolineME947739--3.126-
Azelaic acidAzelaic acidME947769--3.159-
Fukiic acidFukiic acidME947858--3.16-
N-NonanoylglycineNA-Gly 9:0ME947794--3.336-
Propyl propane thiosulfonate-ME947812--3.381-
3-hydroxyheptanoic acid-ME947727--3.401-
ButyrylcarnitineCAR 4:0ME947820--3.706-
Hydroxyoctanoic acidHydroxyoctanoic acidME947743--3.718-
4-Nitrophenol4-NitrophenolME947721--3.75-
HomoarecolineHomoarecolineME947753--3.762-
HeptanoylcarnitineCAR 7:0ME947861--3.841-
N-DecanoylglycineNA-Gly 10:0ME947815--3.848-
Glycerol tripropanoate-ME947851--3.89-
3-(3.4.5-Trimethoxyphenyl)propanoic acid-ME947828--3.904-
3-Hydroxy-carbofuran3-HydroxycarbofuranME947824--3.971-
DodecanedioylcarnitineCAR DC12:0ME947933--4.25-
Undecanedioic acidUndecanedioic acidME947796--4.26-
"N-Undecanoylglycine"NA-Gly 11:0ME947832--4.386-
(9S.10E.12S.13S)-9.12.13-Trihydroxy-10-octadecenoi...-ME947911--4.509-
MesalazineMesalazineME947737--4.582-
S-3-oxodecanoyl cysteamine-ME947836--4.653-
Prostaglandin E2PGE2ME947923--4.7-
Prostaglandin E1PGE1ME947925--4.777-
Dodecanedioic acidDodecanedioic acidME947818--4.848-
N-LauroylglycineNA-Gly 12:0ME947848--4.942-
3-Hydroxynonanoic acid-ME947759--4.97-
MonobutylphthalateMonobutylphthalateME947806--5.091-
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME947797--5.092-
2-Ethyl-1-hexanol sulfate2-Ethyl-1-hexanol sulfateME947789--5.093-
Traumatic acidTraumatic acidME947813--5.162-
ArtemetherArtemetherME947885--5.175-
PyridoxalPyridoxalME947750--5.334-
TretinoinRetinoic acidME947888--5.348-
1.11-Undecanedicarboxylic acid-ME947835--5.435-
LysoPE(14:0/0:0)LPE 14:0/0:0ME947951--5.454-
Succinylaminoimidazole carboxamide riboside-ME947934--5.481-
(+)-Chebulic acid-ME947926--5.501-
Dehydrochorismic acid-ME947808--5.502-
Propyl 1-(propylsulfinyl)propyl disulfide-ME947826--5.502-
TridecanoylglycineNA-Gly 13:0ME947857--5.511-
3-hydroxytridecanoic acid3-Hydroxytridecanoic acidME947819--5.715-
(S)-9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME947780--6.022-
Hexadecanedioic acid mono-L-carnitine esterCAR 16:2ME947955--6.026-
Tetradecanedioic acidTetradecanedioic acidME947849--6.031-
TraumatinTraumatinME947790--6.478-
3-Hydroxynonyl acetate-ME947782--6.483-
LysoPE(20:5(5Z.8Z.11Z.14Z.17Z)/0:0)LPE 20:5(5Z8Z11Z14Z17Z)/0:0*ME947971--6.59-
Arnamiol-ME947958--6.611-
FenoldopamFenoldopamME947894--6.62-
Pelargonic acidPelargonic acidME947740--6.62-
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME947959--6.685-
3-Oxododecanoic acid3-Oxododecanoic acidME947792--6.754-
GemfibrozilGemfibrozilME947842--6.77-
CytidineCytidineME947831--6.775-
PrimidonePrimidoneME947799--6.968-
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME947724--6.99-
L-PalmitoylcarnitineCAR 16:0ME947944--6.991-
LysoPE(22:6(4Z.7Z.10Z.13Z.16Z.19Z)/0:0)LPE 22:6(4Z7Z10Z13Z16Z19Z)/0:0*ME947973--7.187-
Ananasic acid-ME947970--7.197-
OleoylcarnitineCAR 18:1(9Z)ME947952--7.2-
LysoPE(18:2(9Z.12Z)/0:0)LPE 18:2(9Z12Z)/0:0*ME947966--7.321-
(9S.10S)-9.10-dihydroxyoctadecanoate-ME947902--7.355-
LysoPC(14:1(9Z)/0:0)LPC 14:1(9Z)/0:0*ME947962--7.487-
Dibutyl phthalateDibutyl phthalateME947867--7.627-
13-HOTE13-HOTEME947880--7.72-
LysoPE(16:0/0:0)LPE 16:0/0:0ME947960--7.754-
StearoylcarnitineCAR 18:0ME947954--7.801-
LysoPE(18:0/0:0)LPE 18:0/0:0ME947969--7.835-
LysoPE(18:1(9Z)/0:0)LPE 18:1(9Z)/0:0ME947967--7.887-
LysoPC(P-16:0/0:0)LPC P-16:0ME947968--8.033-
2.6-Di-tert-butyl-1.4-benzenediol-ME947807--8.081-
3-Oxohexadecanoic acid3-Ketopalmitic acidME947855--8.097-
Undecanoic acidUndecylic acidME947767--8.099-
LysoPE(22:4(7Z.10Z.13Z.16Z)/0:0)LPE 22:4(7Z10Z13Z16Z)/0:0*ME947974--8.113-
LysoPE(P-16:0/0:0)LPE P-16:0ME947956--8.136-
LysoPE(20:1(11Z)/0:0)LPE 20:1(11Z)/0:0*ME947972--8.182-
15-HETE15-HETEME947903--8.235-
LysoPC(14:0/0:0)LPC 14:0/0:0ME947965--8.401-
LysoPE(P-18:1(9Z)/0:0)-ME947961--8.446-
Ginkgoic acidGinkgoic acidME947919--8.453-
MyristoylglycineNA-Gly 14:0ME947875--8.488-
15(S)-Hydroxyeicosatrienoic acid-ME947905--8.511-
3-Methylxanthine3-MethylxanthineME947748--8.769-
Tartaric acidTartaric acidME947733--8.77-
Dodecanoic acidLauric acidME947781--8.771-
2-benzylheptan-1-ol-ME947786--8.785-
12.13-EpOME12(13)-EpOMEME947882--8.917-
2-Hydroxystearic acid2-Hydroxystearic acidME947890--8.952-
12-Oxo-2.3-dinor-10.15-phytodienoic acid-ME947853--9.089-
Myristoleic acidMyristoleic acidME947810--9.166-
Methyl dodecanoateMethyl dodecanoateME947793--9.225-
3-hydroxypentadecanoic acid-ME947850--9.322-
LysoPE(P-18:0/0:0)LPE P-18:0ME947963--9.499-
Eicosapentaenoic acidEicosapentaenoic acidME947891--9.719-
1beta-Hydroxycholic acid-ME947950--9.772-
7Z.10Z-Hexadecadienoic acid-ME947844--9.814-
LinolenateOctadecatrienoic acidME947868--9.883-
6-Hydroxyhexadecanoic acid-ME947859--9.951-
Myristic acidMyristic acidME947814--9.98-
Tanacetol B-ME947881--9.98-


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