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Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
[FA amino(8:0)] 3-amino-octanoic acid3-Aminooctanoic acidME293014----
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME292954----
3'-O-Methyladenosine3'-O-MethyladenosineME292961----
4-Hydroxybutyric acid4-Hydroxybutyric acidME293113-C00989--
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrat...5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocinME292951----
5-Aminopentanoic acid5-Aminopentanoic acidME292945-C00431--
5'-Dehydroadenosine5'-DehydroadenosineME292952-C11500--
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME292947-C01236--
7-methylthioheptanaldoxime7-MethylthioheptanaldoximeME293056-C17249--
Acetic acidAcetic acidME292939-C00033--
AdenosineAdenosineME292953-C00212--
FA amino(7:0) aminoheptanoic acidAminoheptanoic acidME292992----
3-Amino-1,2,4-triazoleAmitroleME292988-C11261--
ArginineArginineME293053-C00062--
Bruceoside ABruceoside AME293027-C08753--
L-AcetylcarnitineCAR 2:0ME293121-C02571--
PropionylcarnitineCAR 3:0ME293155-C03017--
carboxynorspermidineCarboxynorspermidineME293057----
L-CarnitineCarnitineME293017-C15025--
CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))CDP-DG (16:0/20:4(5Z,8Z,11Z,14Z))*ME293125----
Cer(d18:0/20:0)Cer 18:0;O2/20:0ME293019----
Cer(d18:1/24:1(15Z))Cer 18:1;O2/24:1(15Z)ME293022-C00195--
CreatineCreatineME292976-C00300--
CreatinineCreatinineME292932-C00791--
DeoxycytidineDeoxycytidineME292933-C00881--
DG(43:5)DG 43:5ME293036----
Didodecyl thiobispropanoateDidodecyl thiobispropanoateME293011----
DimethylarginineDimethylarginineME293120----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME292965-C00281--
Deoxyuridine triphosphatedUTPME292999-C00460--
Erucicoyl-EAErucicoyl-EAME292985----
Galactaric acidGalactaric acidME293133-C00879--
N-(2-hydroxy-tetracosanoyl)-1-beta-glucosyl-4E,6E-...GlcCer 16:2;O2(4E,6E)/24:0;OME293081----
SedoheptuloseGlucoheptuloseME293134-C02076--
GlucoseGlucoseME293079----
GlutamineGlutamineME292993-C00064--
Glyceric acidGlyceric acidME293116-C00258--
GnidicinGnidicinME293020-C09095--
Trihexosylceramide (d18:1/24:0)Hex3Cer 18:1;O2/24:0ME293142-C04737--
L-HistidineHistidineME293007-C00135--
Imidazoleacetic acid ribosideImidazoleacetic acid ribosideME292948-C05131--
Isocitric acidIsocitric acidME293109-C00311--
Lactic acidLactic acidME293008-C00186--
LenticinLenticinME292943-C09213--
Leucyl-ProlineLeu-ProME292934----
LysoPC(16:0)LPC 16:0ME293006-C04230--
LysoPC(18:2(9Z,12Z))LPC 18:2(9Z,12Z)ME293012-C04230--
LysoPC(20:4(8Z,11Z,14Z,17Z))LPC 20:4(8Z,11Z,14Z,17Z)ME293016-C04230--
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))LPC 20:5(5z,8z,11z,14z,17z)ME293015-C04230--
LysoPE(18:0/0:0)LPE 18:0/0:0ME293002----
LysoPE(20:0/0:0)LPE 20:0/0:0ME293010----
PS(21:0/0:0)LPS 21:0/0:0ME293018----
Lysyl-TryptophanLys-TrpME292977----
1,6-Naphthalenedisulfonic acidNaphthalene-1,6-disulfonic acidME292963-C16193--
Oxolucidine BOxolucidine BME293003-C09891--
PC(14:1(9Z)/20:2(11Z,14Z))PC 14:1(9Z)/20:2(11Z,14Z)ME293054-C00157--
PC(14:1(9Z)/22:2(13Z,16Z))PC 14:1(9Z)/22:2(13Z,16Z)ME293072-C00157--
PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))PC 14:1(9Z)/22:4(7Z,10Z,13Z,16Z)ME293070-C00157--
PC(16:0/16:0)PC 16:0/16:0ME293046-C00157--
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME293073-C00157--
PC(18:1(9Z)/20:1(11Z))PC 18:1(9Z)/20:1(11Z)ME293089-C00157--
PC(18:2(9Z,12Z)/18:2(9Z,12Z))PC 18:2(9Z,12Z)/18:2(9Z,12Z)ME293071-C00157--
PC(18:2(9Z,12Z)/20:2(11Z,14Z))PC 18:2(9Z,12Z)/20:2(11Z,14Z)ME293087-C00157--
PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))PC 18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)ME293085-C00157--
PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))PC 18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)ME293083-C00157--
PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))PC 20:3(8Z,11Z,14Z)/18:2(9Z,12Z)ME293086-C00157--
PC(20:3(8Z,11Z,14Z)/20:1(11Z))PC 20:3(8Z,11Z,14Z)/20:1(11Z)ME293100----
PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))PC 20:3(8Z,11Z,14Z)/20:2(11Z,14Z)ME293099-C00157--
PC(22:2(13Z,16Z)/16:1(9Z))PC 22:2(13Z,16Z)/16:1(9Z)ME293088-C00157--
Glycerophosphocholine (38:6)PC 38:6ME293093----
Glycerophosphocholine (40:6)PC 40:6ME293097----
Glycerophosphocholine (52:4)PC 52:4ME293127----
PC(O-16:0/18:2(9Z,12Z))PC O-16:0/18:2(9Z,12Z)ME293050----
PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME293075----
PC(o-16:1(9Z)/18:2(9Z,12Z))PC o-16:1(9Z)/18:2(9Z,12Z)*ME293048----
PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z))PC o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z)*ME293063----
PC(o-18:0/20:4(8Z,11Z,14Z,17Z))PC o-18:0/20:4(8Z,11Z,14Z,17Z)*ME293078----
PC(o-18:1(11Z)/18:2(9Z,12Z))PC o-18:1(11Z)/18:2(9Z,12Z)*ME293066----
PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))PC o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)*ME293077----
PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))PC o-18:2(9Z,12Z)/18:2(9Z,12Z)*ME293064----
PC(P-18:0/15:0)PC P-18:0/15:0ME293044----
PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))PC P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)ME293091----
PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PC P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)ME293090----
PE(15:0/22:0)PE 15:0/22:0ME293059-C00350--
PE(18:3(6Z,9Z,12Z)/20:0)PE 18:3(6Z,9Z,12Z)/20:0ME293065-C00350--
PE(18:3(6Z,9Z,12Z)/22:0)PE 18:3(6Z,9Z,12Z)/22:0ME293080-C00350--
PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))PE 18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)ME293042-C00350--
PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))PE 18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)ME293061-C00350--
PE(20:2(11Z,14Z)/15:0)PE 20:2(11Z,14Z)/15:0ME293041-C00350--
PE(22:1(13Z)/15:0)PE 22:1(13Z)/15:0ME293058-C00350--
PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)PE 22:5(7Z,10Z,13Z,16Z,19Z)/16:0ME293062-C00350--
PE(24:1(15Z)/15:0)PE 24:1(15Z)/15:0ME293074-C00350--
PE-NMe(16:0/16:0)PE-NMe 16:0/16:0ME293033----
PE-NMe(16:0/18:1(9Z))PE-NMe 16:0/18:1(9Z)ME293043----
PE-NMe(18:1(9Z)/18:1(9Z))PE-NMe 18:1(9Z)/18:1(9Z)ME293055----
PE-NMe2(18:1(9Z)/18:1(9Z))PE-NMe2 18:1(9Z)/18:1(9Z)ME293068----
PE(P-18:1(9Z)/14:0)PE P-18:1(9Z)/14:0ME293025----
PE(P-18:1(9Z)/14:1(9Z))PE P-18:1(9Z)/14:1(9Z)ME293024----
PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))PE P-18:1(9Z)/18:3(6Z,9Z,12Z)ME293039----
PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))PE P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)ME293052----
PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))PE P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)ME293051----
PG(16:0/16:0)PG 16:0/16:0ME293038----
PG(42:6)PG 42:6ME293102----
Prostaglandin F1aPGF1alphaME292979-C06475--
PG(O-36:1)PG O-36:1ME293060----
PhosphocreatinePhosphocreatineME293139-C02305--
PI(16:1(9Z)/18:1(11Z))PI 16:1(9Z)/18:1(11Z)ME293098-C00626--
PI(18:2(9Z,12Z)/20:1(11Z))PI 18:2(9Z,12Z)/20:1(11Z)ME293108-C00626--
PI (36:0)PI 36:0ME293107----
Glycerophosphoinositol (41:6)PI 41:6ME293115----
PI(O-20:0/14:1(9Z))PI O-20:0/14:1(9Z)ME293094----
PI(O-36:2)PI O-36:2ME293101----
Pipecolic acidPipecolic acidME292971-C00408--
PiperidinePiperidineME292990-C01746--
ProbenecidProbenecidME292962-C07372--
Proline betaineProline betaineME292989-C10172--
PropanoylagmatinePropanoylagmatineME293104-C02581--
PS(35:0)PS 35:0ME293069----
PS(37:2)PS 37:2ME293084----
PS(39:4)PS 39:4ME293095----
PS(41:2)PS 41:2ME293105----
PS(41:4)PS 41:4ME293103----
Glycerophosphoserine (55:0)PS 55:0ME293137----
PS(P-39:0)PS P-39:0ME293092----
PyrrolidinePyrrolidineME292964----
Pyruvic acidPyruvic acidME292998-C00022--
ChinomethionatQuinomethionateME292937-C14514--
RanunculinRanunculinME292959-C08512--
SM(d18:0/16:0)SM 18:0;O2/16:0ME293034-C00550--
SM(d18:0/16:1(9Z))SM 18:0;O2/16:1(9Z)*ME293031-C00550--
SM(d18:1/18:1(11Z))SM 18:1;O2/18:1(11Z)*ME293040-C00550--
SM(d33:1)SM 33:1;O2ME293028----
SM(d34:2)SM 34:2;O2ME293030----
Glycerophosphocholinesn-Glycero-3-phosphocholineME292946-C00670--
Succinic acid semialdehydeSuccinic acid semialdehydeME293096-C00232--
Tartronate semialdehydeTartronate semialdehydeME293111-C01146--
TG(15:0/20:0/20:0)TG 15:0/20:0/20:0ME293112----
TG(41:0)TG 41:0ME293035----
Triradylglycero (60:5)TG 60:5ME293123----
Triradylglycerol (61:8)TG 61:8ME293124----
Triradylglycerol (65:6)TG 65:6ME293132----
UreaUreaME292940-C00086--
Uric acidUric acidME293021-C00366--
1-18:2-2-18:3-monogalactosyldiacylglycerol-ME293076----
1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)...-ME293009----
1-Octen-3-yl glucoside-ME292966----
1-Pyrrolinium-ME292960----
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...-ME292975-C15056--
2,3-Butanediol glucoside-ME292944----
2,3-Dimethylbenzofuran-ME292994----
(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydr...-ME293001----
2-Hydroxyundecanoate-ME293117----
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6...-ME292938----
3-O-Caffeoyl-4-O-methylquinic acid-ME292982----
3S-hydroxyhexacosanoyl-CoA-ME293145----
4'-Methoxy-2',3,7-trihydroxyisoflavanone-ME292968----
5-(3-Buten-1-ynyl)-2,2'-bithienyl-ME293152-C08397--
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene-ME292957-C04485--
5-Ethoxy-4,5-dihydro-2(3H)furanone-ME292972----
5-Hexyltetrahydro-2-furanoctanoic acid-ME292967----
6-Deoxodolichosterone-ME292997----
[6]-Gingerdiol 3,5-diacetate-ME292984----
6-Hydroxyluteolin 6-xyloside-ME292996----
Artonin K-ME292986----
Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol-ME293138-C05860--
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...-ME293150-C04830--
Camelliagenin A-ME293000----
CDP-Glycerophospholipid (18:1(9Z)/18:2(9Z,12Z))-ME293126----
CDP-Glycerophospholipid (38:4)-ME293130----
CDP-Glycerophospholipid (38:5)-ME293129----
CDP-Glycerophospholipid (38:6)-ME293128----
CDP-Glycerophospholipid(40:6)-ME293136----
cis-(homo)2aconitate-ME293118----
Dehydrotomatine-ME293131----
Di-2-propenyl hexasulfide-ME292955----
Di-2-thienyl disulfide-ME292935----
Diisopropyl sulfide-ME292950----
Diphenylcarbazide-ME292941-C11232--
Epimedin K-ME293122----
Epoxymurin B-ME293013----
[FA hydroxy(4:0)] 1,9S,11R,15S-tetrahydroxy-13E-pr...-ME292978----
Ganglioside GM3 (d18:0/20:0)-ME293147----
Ganglioside GM3 (d18:1/24:1(15Z))-ME293149-C04730--
hexane-6-keto-1,3,4,6-tetracarboxylate-ME292958----
Hordatine B glucoside-ME293049----
hydroxymethyl-dCDP-ME292991----
Hymenocardine-ME293026-C10004--
Iodipamide-ME293143----
Iodixanol-ME293154----
Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'...-ME293135----
Kanzonol R-ME292983----
L-Cyclo(alanylglycyl)-ME292969----
Lumequoylacetone-ME293005----
Luteolin 7,4'-diglucuronide-3'-glucoside-ME293082----
Methyl 3-hydroxybutyrate-ME292949----
Moracin-ME292974----
N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-qu...-ME292981-C11562--
N-(2-formyl-3-chlorophenyl)anthranilic acid-ME292956----
N-(2-hydroxyhexacosanoyl)-4R-hydroxyeicosasphingan...-ME293144----
N-(2-hydroxyhexacosanoyl)-eicosasphinganine-1-O-[D...-ME293141----
N-(2-hydroxytetracosanoyl)-4,8-sphingadienine-ME293023----
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME293153----
N3-fumaramoyl-L-2,3-diaminopropanoate-ME293119----
N(6)-Trimethyl-L-lysine-ME293106----
N(alpha)-t-Butoxycarbonyl-L-leucine-ME292936-C04301--
Narciclasine-ME292970-C08533--
N-desmethylclarithromycin-ME293045----
Niclosamide-ME292973----
N-(tetracosanoyl)-sphinganine-1-O-[myo-inositol-1-...-ME293151----
Phosphatidyl glycerophosphate (O-42:2)-ME293067----
Phosphocreatinine-ME293110----
Prenol 30,32-dihydroxy-2b-methyl-bishomohopane-ME293004----
Prolyl-Gamma-glutamate-ME292942----
[PR trimethyl,methyl,methyl(5:0/15:0)] 2,6,14-trim...-ME292980----
Psidinin C-ME293146----
Sorbitan stearate-ME292995----
Spirolide B-ME293029----
[ST (20:4)] cholest-5-en-3beta-yl (15S-hydroperoxy...-ME293032----
Stenopalustroside A-ME293047----
Tetrahexosylceramide (d18:1/16:0)-ME293148-C03272--
Tin chloride (SnCl4)-ME293037----
Trihydroxy-3,6,7,4'-tetramethoxyflavone-ME292987----
UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L...-ME293140-C04804--
Xanthine-8-carboxylate-ME293114-C03314--


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