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Analysis: HILIC 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
1,2-Didocosahexaenoyl-sn-glycero-3-phosphocholinePC 22:6/22:6ME944755----
1,2-Dilinoleoyl-sn-glycero-3-phosphocholinePC 18:2(9Z,12Z)/18:2(9Z,12Z)ME944542----
1-Acetyl-4-piperidinamine-ME944769----
1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphoc...-ME944768----
1-Methyladenosine1-MethyladenosineME944618-C02494--
1-Methylhistidine1-MethylhistidineME944637-C01152--
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME944600----
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME944601----
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME944609----
2-(1',2',3',4'-Tetrahydroxybutyl)quinoxaline-ME944714----
2-(1-ETHOXYETHYL)OXY-2-PHENYLETHANAL-ME944644----
2-(5-Oxovaleryl)phosphatidylcholine-ME944598----
2-Amino-2-deoxy-D-mannose2-Amino-2-deoxy-D-mannoseME944765----
2-amino-3-methanesulfinylpropanoic acid2-amino-3-methanesulfinylpropanoic acidME944641----
2-Hydroxypyridine2-HydroxypyridineME944554----
2-Methyl-6-phenyl-4H-pyran-4-one_1-ME944649----
2-Methyl-6-phenyl-4H-pyran-4-one_2-ME944657----
2-Oxindole-3-acetate2-Oxindole-3-acetateME944614----
3-(1-Pyrazolyl)-alanine3-(1-Pyrazolyl)-alanineME944718----
3,3',4',5-tetrahydroxy-7-methoxyflavone-ME944681----
3(4'-Chlorophenyl)-4,6-dimethylcoumarin-ME944654----
3-Aminobenzamide3-AminobenzamideME944622----
3-Cysteinylacetaminophen-ME944636----
3-Deazaadenosine_1-ME944689----
3-Deazaadenosine_2-ME944773----
3-Deazaadenosine_3-ME944782----
3-Deazaneplanocin A-ME944775----
3-Hydroxybiphenyl-ME944525----
3-Indolepropionic acid3-Indolepropionic acidME944650----
3-Methylhistidine3-MethylhistidineME944683-C01152--
4-BENZOYLBUTYRIC ACID-ME944519----
4-Fluoraniline-ME944496-C11014--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME944518-C00633--
4-Hydroxybenzotriazole-ME944564----
4-Hydroxy-L-isoleucine_1-ME944616----
4-Hydroxy-L-isoleucine_2-ME944638-C10144|C10144--
4-Hydroxy-L-isoleucine_3-ME944699-C10144|C10144--
4-Hydroxy-L-isoleucine_4-ME944706-C10144|C10144--
4-Hydroxy-L-isoleucine_5-ME944720----
4-Hydroxyquinoline4-HydroxyquinolineME944557----
4-Nitroquinoline N-oxide4-Nitroquinoline N-oxideME944642----
4-Pyridoxic acid4-Pyridoxic acidME944778----
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME944777-C16366--
5-Amino-1-pentanol-ME944679----
5-Hydroxytryptophol5-HydroxytryptopholME944726----
5-Oxo-D-proline5-Oxo-D-prolineME944687-C02237--
7-Hydroxymitragynine7-HydroxymitragynineME944493----
7-Methylguanine7-MethylguanineME944543-C02242--
AcetaminophenAcetaminophenME944713----
Acetylcarnosine-ME944703----
AcetylcholineAcetylcholineME944676-C05543--
Ala-Leu or Leu-Ala-ME944693----
alpha-Hydroxytriazolamalpha-HydroxytriazolamME944660----
(-)-.alpha.-Kainic acid-ME944599----
AminophenazoneAminophenazoneME944671-C07539--
AnilineAnilineME944732----
ArginineArginineME944548-C00062--
Asp-ArgAsp-ArgME944663----
Aspartic acidAspartic acidME944652-C00049--
Azoxystrobin (free acid)-ME944659----
BaclofenBaclofenME944685-D00241--
Benzoic acidBenzoic acidME944516-C00082--
beta-Alaninebeta-AlanineME944694-C00041--
BetaineBetaineME944481----
BetonicineBetonicineME944715-C08269--
Buphedrone_1-ME944487----
Buphedrone_2-ME944733----
C14:0 AC-ME944605----
C16:0 AC-ME944603-C02990--
C16:0 AC(1) (L-Palmitoylcarnitine)-ME944747-C02990--
C18:0,OH AC-ME944611----
C18:3 FA-ME944479-C06426--
C3:0 AC (Propionylcarnitine)-ME944624-C03017--
C4:0,OH AC (Hydroxybutyrylcarnitine)-ME944697----
C5:1 AC (Tiglylcarnitine)-ME944729----
C6:0,DC AC (O-Adipoylcarnitine)-ME944677----
C8:0,OH AC (Hydroxyoctanoyl carnitine)-ME944730----
C8:4 AC (Phenylacetylcarnitine)-ME944615----
C9H15NO3-ME944711----
C9H17NO3-ME944702----
CAR 18:1_1CAR 18:1ME944590----
CAR 18:1_2CAR 18:1ME944742----
CAR 18:2CAR 18:2ME944602----
CAR 2:0CAR 2:0ME944635-C02571--
CAR 3:0;2MeCAR 3:0;2MeME944723-C02862--
CAR 4:0;OH,MeCAR 4:0;OH,MeME944708----
CAR 6:0CAR 6:0ME944607----
CAR 8:0CAR 8:0ME944529-C02838--
Carbadox-ME944630----
CarnitineCarnitineME944645-C00318--
Cer 18:1;O2/2:0Cer 18:1;O2/2:0ME944705-C06124--
Choline_1CholineME944725-C00114--
Choline_2CholineME944727-C00114--
Choline phosphate_1Choline phosphateME944547----
Choline phosphate_2Choline phosphateME944594----
Choline phosphate_3Choline phosphateME944739----
Choline phosphate_4Choline phosphateME944759----
cis-4-Hydroxyprolinecis-4-HydroxyprolineME944491-C01157--
CitrininCitrininME944656-C16765--
Clenbuterol-ME944515----
Creatine_1CreatineME944690-C00300--
Creatine_2CreatineME944691-C00300--
Creatinine_1CreatinineME944560-C00791--
Creatinine_2CreatinineME944561-C00791--
Creatinine_3CreatinineME944563-C00791--
Cys-Gly or Gly-Cys_1-ME944620-C01419--
Cys-Gly or Gly-Cys_2-ME944722-C01419--
CystathionineCystathionineME944662-C00542--
Cytidine; CE10; UHDGCWIWMRVCDJ-XVFCMESISA-N-ME944571----
D-erythro-N-stearoylsphingosine-ME944562-C00319--
Desmethylolanzapine-ME944770----
DL-2-Fluorophenylglycine-ME944511----
D-TryptophanD-TryptophanME944476-C00078--
Edetic acid_1Edetic acidME944477-C00284--
Edetic acid_2Edetic acidME944488-C00284--
EphedrineEphedrineME944744-C01575--
Epsilon-(gamma-Glutamyl)-lysine_1Epsilon-(gamma-Glutamyl)-lysineME944664----
Epsilon-(gamma-Glutamyl)-lysine_2Epsilon-(gamma-Glutamyl)-lysineME944673----
ErgothioneineErgothioneineME944520-C05570--
Ethopabate-ME944639----
Fenchone_1FenchoneME944596----
Fenchone_2FenchoneME944743----
Fenoxanil-ME944544----
Flecainide-ME944546-C07001--
FlumequineFlumequineME944527----
Flunitrazepam-ME944682----
FructosyllysineFructosyllysineME944666-C16488--
GabapentinGabapentinME944684----
GalactosamineGalactosamineME944512-C00329--
gamma-Glutamylglutaminegamma-GlutamylglutamineME944545-C05283--
gamma-glutamyl-L-isoleucine |gamma-glutamyl-L-leuc...-ME944695----
.gamma.-Glutamyl-(S)-allyl-L-cysteine-ME944494----
gamma-Glutamylthreoninegamma-GlutamylthreonineME944647----
Glu-AspGlu-AspME944717----
Glutamic acidGlutamic acidME944489-C00025--
Histidine_1HistidineME944653-C00135--
Histidine_2HistidineME944674-C00135--
Histidine_3HistidineME944675-C00135--
Histidine_4HistidineME944686-C00135--
HomoarginineHomoarginineME944665-C01924--
H-Pro-Hyp-OH-ME944651----
Hydroxyhippurate(2)-ME944621----
HypoxanthineHypoxanthineME944566-C00262--
Indoleacetic acidIndoleacetic acidME944731----
IsobutyrylglycineIsobutyrylglycineME944628----
IsocarbamidIsocarbamidME944631----
IsoleucineIsoleucineME944508-C00407|C00123--
IsopropylbenzeneIsopropylbenzeneME944643----
Kynurenic acidKynurenic acidME944570-C01717--
KynurenineKynurenineME944613-C00328--
L-a-glutamyl-L-Lysine-ME944661-C04700--
LenticinLenticinME944535-C09213--
LPC 16:0/0:0_1LPC 16:0/0:0ME944475-C04230--
LPC 16:0/0:0_2LPC 16:0/0:0ME944617-C04230--
LPC 17:0/0:0LPC 17:0/0:0ME944736-C04230--
LPC 18:0/0:0_1LPC 18:0/0:0ME944528-C04230--
LPC 18:0/0:0_2LPC 18:0/0:0ME944531-C04230--
LPC 18:0/0:0_3LPC 18:0/0:0ME944737-C04230--
LPC O-18:0LPC O-18:0ME944735----
LPC P-18:0 or LPC O-18:1LPC P-18:0 or LPC O-18:1ME944610-C04230--
L-threo-SphingosineL-threo-SphingosineME944559----
LysineLysineME944550-C00047--
m-chlorophenylpiperazine (m-CPP)-ME944521-C11738--
Medazepam-ME944658-D01292--
MethionineMethionineME944526-C00073--
Methionine sulfoxideMethionine sulfoxideME944688----
MethylguanidineMethylguanidineME944612-C02294--
Methylimidazoleacetic acidMethylimidazoleacetic acidME944700-C05828--
MMV019838-ME944716----
MMV028694-ME944498----
MMV676881-ME944646----
MMV687248-ME944497----
MyclobutanilMyclobutanilME944619----
N-(1-Deoxy-1-fructosyl)leucine|N-(1-Deoxy-1-fructo...-ME944627----
N-(1-Deoxy-1-fructosyl)leucine|N-(1-Deoxy-1-fructo...-ME944707----
N-(1-Deoxy-1-fructosyl)leucine|N-(1-Deoxy-1-fructo...-ME944719----
N-(1-Deoxy-1-fructosyl)valine_1N-(1-Deoxy-1-fructosyl)valineME944634----
N-(1-Deoxy-1-fructosyl)valine_2N-(1-Deoxy-1-fructosyl)valineME944704----
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME944766----
N-6-TrimethyllysineN-6-TrimethyllysineME944668-C03793--
N-AcetylhistidineN-AcetylhistidineME944632-C02997--
N-AcetylimidazoleN-AcetylimidazoleME944781-C05130--
N-AcetylornithineN-AcetylornithineME944640----
Ne-Methyl-Lysine-ME944667-C02728--
N-epsilon-acetyl-L-lysineN6-AcetyllysineME944698-C02727--
Nicotinamide N-oxideNicotinamide N-oxideME944772----
Nitenpyram_1NitenpyramME944553----
Nitenpyram_2NitenpyramME944655----
N-Methyl-DL-alanine_1-ME944633-C02261|C05145|C01026--
N-Methyl-DL-alanine_2-ME944701-C02261|C05145|C01026--
N-Methyl-L-threonine_1-ME944567----
N-Methyl-L-threonine_2-ME944692----
N-Methyl-L-threonine_3-ME944696----
N-Methyl-prolineN-Methyl-prolineME944509----
Nordeprenyl-ME944629----
Norfenfluramine-ME944783----
Norphenylephrine-ME944524----
Octadecadienoic acidOctadecadienoic acidME944478-C01595--
O-PhosphotyrosineO-PhosphotyrosineME944670----
Ornithine; CE10; AHLPHDHHMVZTML-BYPYZUCNSA-N-ME944551-C00077--
O-t-Butyl-L-serine, methyl ester-ME944709----
PC 14:0/16:0_1PC 14:0/16:0ME944565----
PC 14:0/16:0_2PC 14:0/16:0ME944583----
PC 14:0/16:0_3PC 14:0/16:0ME944762----
PC 16:0/16:0_1PC 16:0/16:0ME944503-C00157--
PC 16:0/16:0_2PC 16:0/16:0ME944539-C00157--
PC 16:0/16:0_3PC 16:0/16:0ME944569-C00157--
PC 16:0/16:0_4PC 16:0/16:0ME944592-C00157--
PC 16:0/16:0_5PC 16:0/16:0ME944745-C00157--
PC 16:0/16:0_6PC 16:0/16:0ME944746-C00157--
PC 16:0/18:2_1PC 16:0/18:2ME944536----
PC 16:0/18:2_2PC 16:0/18:2ME944764----
PC 32:1_1PC 32:1ME944587----
PC 32:1_2PC 32:1ME944749----
PC 33:1_1PC 33:1ME944502----
PC 33:1_2PC 33:1ME944586----
PC 33:4PC 33:4ME944757----
PC 34:2_1PC 34:2ME944501----
PC 34:2_2PC 34:2ME944534----
PC 34:2_3PC 34:2ME944581----
PC 34:2_4PC 34:2ME944748----
PC 34:2_5PC 34:2ME944750----
PC 35:2_1PC 35:2ME944585----
PC 35:2_2PC 35:2ME944591----
PC 35:2_3PC 35:2ME944593----
PC 36:2_1PC 36:2ME944506----
PC 36:2_2PC 36:2ME944574----
PC 36:2_3PC 36:2ME944577----
PC 36:2_4PC 36:2ME944589----
PC 36:4_1PC 36:4ME944485----
PC 36:4_2PC 36:4ME944588----
PC 37:6PC 37:6ME944756----
PC 38:4_1PC 38:4ME944480----
PC 38:4_2PC 38:4ME944532----
PC 38:4_3PC 38:4ME944533----
PC 38:4_4PC 38:4ME944568----
PC 38:4_5PC 38:4ME944751----
PC 38:4_6PC 38:4ME944754----
PC 38:6_1PC 38:6ME944486----
PC 38:6_2PC 38:6ME944500----
PC 40:6_1PC 40:6ME944505----
PC 40:6_2PC 40:6ME944573----
PC P-18:0/18:1(9Z)_1PC P-18:0/18:1(9Z)ME944537----
PC P-18:0/18:1(9Z)_2PC P-18:0/18:1(9Z)ME944767----
PC P-34:2PC P-34:2ME944584----
PC P-36:5PC P-36:5ME944761----
PC P-42:5PC P-42:5ME944575----
PE 16:0/18:2_1PE 16:0/18:2ME944555----
PE 16:0/18:2_2PE 16:0/18:2ME944578----
PE 16:0/18:2_3PE 16:0/18:2ME944771----
PE 36:2_1PE 36:2ME944538----
PE 36:2_2PE 36:2ME944582----
PE 38:6PE 38:6ME944758----
PE O-18:2/20:4PE O-18:2/20:4ME944499----
PE P-36:2PE P-36:2ME944763----
PE P-36:4PE P-36:4ME944580----
PE P-38:4PE P-38:4ME944579----
PE P-38:5PE P-38:5ME944760----
PE P-38:6PE P-38:6ME944572----
PE P-40:6PE P-40:6ME944576----
PhenylacetaldehydePhenylacetaldehydeME944483-C00601--
PhenylalaninePhenylalanineME944482-C00079--
Phe-PhePhe-PheME944558----
PhytosphingosinePhytosphingosineME944541-C12144--
Pipecolic acid_1Pipecolic acidME944514-C00408--
Pipecolic acid_2Pipecolic acidME944549----
Piperazine, 1-[(4-bromo-2,5-dimethoxyphenyl)methyl...-ME944648----
PiperidinePiperidineME944728-C01746--
Plerixafor-ME944556----
PRI_303.1340_15.8-ME944608----
Pro-Cys or Cys-Pro-ME944753----
ProlineProlineME944710-C00148--
Proline betaineProline betaineME944724-C10172--
Proline; CE10; ONIBWKKTOPOVIA-BYPYZUCNSA-N-ME944517-C00148--
Pro-PhePro-PheME944510----
PterostilbenePterostilbeneME944774-C15497--
PutrescinePutrescineME944669----
PyridoxinePyridoxineME944495----
(S)-Homostachydrine(S)-HomostachydrineME944734-C08283--
SM 18:1;O2/12:0_1SM 18:1;O2/12:0ME944604-C00550--
SM 18:1;O2/12:0_2SM 18:1;O2/12:0ME944606-C00550--
SM 18:1;O2/16:0_1SM 18:1;O2/16:0ME944484-C00550--
SM 18:1;O2/16:0_2SM 18:1;O2/16:0ME944507-C00550--
SM 18:1;O2/16:0_3SM 18:1;O2/16:0ME944595----
SM 18:1;O2/16:0_4SM 18:1;O2/16:0ME944741-C00550--
SM 18:1;O2/16:0_5SM 18:1;O2/16:0ME944752----
SM 18:1;O2/22:1_1SM 18:1;O2/22:1ME944738-C00550--
SM 18:1;O2/22:1_2SM 18:1;O2/22:1ME944740-C00550--
SM 18:1;O2/24:1_1SM 18:1;O2/24:1ME944530-C00550--
SM 18:1;O2/24:1_2SM 18:1;O2/24:1ME944597-C00550--
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME944678-C00670--
SphinganineSphinganineME944540-C00836--
Symmetric dimethylarginineSymmetric dimethylarginineME944672-C03626--
Taurine_1TaurineME944492-C00245--
Taurine_2TaurineME944522-C00245--
Thiocarlide-ME944780----
ThreonineThreonineME944490-C00188--
TriamtereneTriamtereneME944779-D00386--
Trigonelline_1TrigonellineME944504-C01004--
Trigonelline_2TrigonellineME944513-C01004--
Tyrosine_1TyrosineME944523-C00082--
Tyrosine_2TyrosineME944712-C00082--
Urocanic acidUrocanic acidME944625-C00785--
ValdecoxibValdecoxibME944552-C00284--
Valine_1ValineME944626-C00183--
Valine_2ValineME944721-C00183--
Val-SerVal-SerME944680----
Varenicline-ME944776----
VasicinoneVasicinoneME944623----


Analysis: HILIC 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
1,2,4-Trihydroxybenzene1,2,4-TrihydroxybenzeneME944939----
12-Ketolithocholic acid12-Ketolithocholic acidME944791----
1,3-Dimethyluric acid1,3-Dimethyluric acidME944957----
15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid-ME944785-C02165|C05356|C04685|C00959|C05965|C05966|C14808|C14810|C14812|C14813|C14820|C14823|C14781|C04853|C05356 |C04686--
16,16-Dimethylprostaglandin A1-ME944817----
16-Phenoxytetranorprostaglandin E2-ME944790----
1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-p...-ME944948-C04230--
1-Methylhistidine1-MethylhistidineME944880-C01152--
1-Methyluric acid1-Methyluric acidME944945-C16359--
1-Oleoyl-L-.alpha.-lysophosphatidic acid-ME944944----
2,4-Dichloro-5-ethyl-3-methylphenol-ME944983----
2-amino-3-methanesulfinylpropanoic acid2-amino-3-methanesulfinylpropanoic acidME944927----
2-Aminobutyric acid2-Aminobutyric acidME944934-C02261--
2-Aminophenyl sulfate2-Aminophenyl sulfateME944821----
2-Furoic acid2-Furoic acidME944919-C01546--
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME944832----
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME944949-C05123--
2-Naphthalenesulfonic acid-ME944820----
2-Oxoadipic acid2-Oxoadipic acidME944924-C00322--
2-Thiopheneacrylic acid-ME944869----
3-(2,5-Dimethoxyphenyl)propanoic acid3-(2,5-Dimethoxyphenyl)propanoic acidME944989----
3,4'-Isopropylidenediphenol-ME944871----
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME944793----
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...-ME944975----
3-Dehydrocholic acid3-Dehydrocholic acidME944824----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME944834-C00632--
3-Hydroxybiphenyl-ME944895----
3'-Hydroxyflavone-ME944897----
3-Hydroxyhexadecanoic acid3-Hydroxyhexadecanoic acidME944992----
3-Indolepropionic acid_13-Indolepropionic acidME944973----
3-Indolepropionic acid_23-Indolepropionic acidME944982----
3-Methyl-4-pentenoic acid-ME944967----
3-Methylhistidine3-MethylhistidineME944896-C01152--
3R-Hydroxybutyric acid3R-Hydroxybutyric acidME944851-C01089--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME944792-C00633--
4-Hydroxybenzenesulfonic acid4-Hydroxybenzenesulfonic acidME944993-C12849--
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME944818-C16366--
5.alpha.-Androstan-17.beta.-ol-3-one sulfate-ME944985----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME944830----
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_1-ME944819----
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_2-ME944974----
Acetylcarnosine-ME944876----
AllantoinAllantoinME944857-C01551--
Allocholic acidAllocholic acidME944964----
alpha-Cyano-4-hydroxycinnamic acid-ME944831----
Amobarbital-ME944864-C07536--
Arabitol | XylitolXylitolME944951-C01904--
Arg-Gly-AspArg-Gly-AspME944850----
ArginineArginineME944906-C00062--
Aspartic acid_1Aspartic acidME944902-C00049--
Aspartic acid_2Aspartic acidME944909-C00049--
Aspartic acid_3Aspartic acidME944914-C00049--
Beta-Citryl-glutamic acidBeta-Citryl-glutamic acidME944806----
BetaineBetaineME944941-C00183--
Bis(p-nitrophenyl)phosphate-ME944953-C03779--
Butein-ME944788----
Chenodeoxycholic acid 24-acyl-.beta.-D-glucuronide-ME944868-C03033--
Cholic acid_1Cholic acidME944829----
Cholic acid_2Cholic acidME944980----
cis-4-Hydroxyprolinecis-4-HydroxyprolineME944947-C01157--
cis-Pinonic acid-ME944789----
Citramalic acid_1Citramalic acidME944884----
Citramalic acid_2Citramalic acidME944925----
CitrullineCitrullineME944890-C00327--
Creatinine_1CreatinineME944833-C00791--
Creatinine_2CreatinineME944883-C00791--
Cys-Gly or Gly-Cys-ME944943-C01419--
Cys-Pro or Pro-Cys-ME944842----
CysteineCysteineME944867-C00097--
Dehydroascorbic acid_1Dehydroascorbic acidME944807-C00417--
Dehydroascorbic acid_2Dehydroascorbic acidME944901-C00158--
DiethylphosphateDiethylphosphateME944852-C06608--
DimethylglycineDimethylglycineME944942-C01026--
D-Malic acidD-Malic acidME944910-C00497--
Dodecanedioic acidDodecanedioic acidME944962-C02678--
Dopamine 3-O-sulfateDopamine 3-O-sulfateME944863-C13690--
D-TryptophanD-TryptophanME944816-C00078--
Ethyl dodecanoateEthyl dodecanoateME944827----
Ethyl sulfate-ME944825-C05123--
Fructose_1FructoseME944854-C02336--
Fructose_2FructoseME944858-C02336--
Fumaric acidFumaric acidME944826-C01384--
gamma-Glutamylglutaminegamma-GlutamylglutamineME944899-C05283--
gamma-glutamyl-L-isoleucine |gamma-glutamyl-L-leuc...-ME944881----
gamma-Glutamylthreonine_1gamma-GlutamylthreonineME944894----
gamma-Glutamylthreonine_2gamma-GlutamylthreonineME944913----
Glu-AsnGlu-AsnME944970----
Glu-AspGlu-AspME944898----
Glucaric acidGlucaric acidME944912-C00818--
Gluconic acidGluconic acidME944889-C00257--
Glucosamine 6-sulfateGlucosamine 6-sulfateME944815-C04132--
GlucoseGlucoseME944784-C00221--
Glucuronic acidGlucuronic acidME944886-C00191--
Glutamic acidGlutamic acidME944802-C00025--
Glutaric acidGlutaric acidME944874-C00489--
GlutathioneGlutathioneME944892----
Glyceric acidGlyceric acidME944933-C00258--
Glycine_1GlycineME944922-C00037--
Glycine_2GlycineME944928-C00037--
Glycochenodeoxycholic acid 3-glucuronideGlycochenodeoxycholic acid 3-glucuronideME944796-C03033--
Glycochenodeoxycholic acid 3-sulfateGlycochenodeoxycholic acid 3-sulfateME944860----
Glycolic acid_1Glycolic acidME944940----
Glycolic acid_2Glycolic acidME944963-C00160--
Glyoxylic acidGlyoxylic acidME944877-C00048--
Hexadecanedioic acid, 3,3,14,14-tetramethyl--ME944987----
HomoarginineHomoarginineME944908-C01924--
Homocysteinesulfinic acidHomocysteinesulfinic acidME944847----
Hydroxybutyric acidHydroxybutyric acidME944844-C01088--
Hydroxyphenyllactic acidHydroxyphenyllactic acidME944853-C03672--
HypoxanthineHypoxanthineME944835-C00262--
Indoleacrylic acidIndoleacrylic acidME944795----
Indoxyl sulfateIndoxyl sulfateME944971----
InosineInosineME944954-C00294--
Isoguvacine-ME944846-C00450--
IsoleucineIsoleucineME944862-C00407|C00123--
Ketoisovaleric acidKetoisovaleric acidME944979-C00141--
KynurenineKynurenineME944861-C00328--
L-alpha-Phosphatidylethanolamine (Soy)-ME944986----
LPE 18:1/0:0LPE 18:1/0:0ME944849----
LPE 20:2LPE 20:2ME944856----
LysineLysineME944903-C00047--
Malic acidMalic acidME944916-C00149--
Malonic acid_1Malonic acidME944798-C00383--
Malonic acid_2Malonic acidME944923----
MannitolMannitolME944866-C00794|C00392--
Mesaconic acidMesaconic acidME944808-C01732--
Methionine sulfoneMethionine sulfoneME944931----
Monastrol_1-ME944787-C00284--
Monastrol_2-ME944804-C00284--
Myo-inositolMyo-inositolME944810----
N(2)-AcetyllysineN(2)-AcetyllysineME944888----
N-3,4-Tridhydroxybenzamide-ME944936----
N(6)-MethyllysineN(6)-MethyllysineME944915----
N-AcetylcysteineN-AcetylcysteineME944969-C06809--
N-AcetylgalactosaminitolN-AcetylgalactosaminitolME944950----
N-AcetylhistidineN-AcetylhistidineME944875-C02997--
NaproxenNaproxenME944990-C01517--
Ne-Methyl-Lysine-ME944904-C02728--
N-epsilon-acetyl-L-lysineN6-AcetyllysineME944879-C02727--
Nitrilotriacetic acidNitrilotriacetic acidME944803----
N-Methyl-L-threonine-ME944885----
Octadecadienoic acidOctadecadienoic acidME944823-C01595--
O-Desmethylmycophenolic acid-ME944893----
Oleic acidOleic acidME944984-C00712--
Ornithine_1OrnithineME944905-C00077--
Ornithine_2OrnithineME944907-C00077--
Ornithine_3OrnithineME944920----
OrotidineOrotidineME944937-C01103--
o-Succinylhomoserineo-SuccinylhomoserineME944882----
OxypurinolOxypurinolME944966-C07599--
Pantothenic acid_1Pantothenic acidME944855-C00864--
Pantothenic acid_2Pantothenic acidME944946-C00864--
Parabanic acidParabanic acidME944836----
Paracetamol sulfateParacetamol sulfateME944976----
PC P-40:7_1PC P-40:7ME944839----
PC P-40:7_2PC P-40:7ME944845----
PE 36:2_1PE 36:2ME944838----
PE 36:2_2PE 36:2ME944840----
PE 36:2_3PE 36:2ME944843----
PE 38:6PE 38:6ME944841----
PE P-36:2PE P-36:2ME944956----
PE P-36:4PE P-36:4ME944958----
PE P-38:4PE P-38:4ME944959----
PE P-38:5PE P-38:5ME944960----
PE P-40:6PE P-40:6ME944961----
PhenylalaninePhenylalanineME944859-C00079--
Phenyl glucuronidePhenyl glucuronideME944917----
Phenyllactic acidPhenyllactic acidME944977----
PhthalimidePhthalimideME944955----
Phytosphingosine 1-phosphatePhytosphingosine 1-phosphateME944873-C06124--
PI 34:2PI 34:2ME944848----
PinosylvinPinosylvinME944891----
Pro-GlyPro-GlyME944814----
ProlineProlineME944878-C00148--
PseudouridinePseudouridineME944952-C02067--
Pyrogallol sulfate_1Pyrogallol sulfateME944981----
Pyrogallol sulfate_2Pyrogallol sulfateME944988----
Pyruvic acidPyruvic acidME944872----
Quinic acid_1Quinic acidME944799-C06746--
Quinic acid_2Quinic acidME944926-C06746--
Quinic acid_3Quinic acidME944938-C06746--
RhamnoseRhamnoseME944794----
RiboseRiboseME944812-C00259--
Sebacic acidSebacic acidME944968-C08277--
Ser-AspSer-AspME944900----
SerineSerineME944887-C00065--
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME944805-C00093--
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME944921-C00670--
sn-Glycero-3-phosphoethanolaminesn-Glycero-3-phosphoethanolamineME944865-C01233--
SorboseSorboseME944809----
SucroseSucroseME944800-C00089--
Taurine_1TaurineME944811-C00245--
Taurine_2TaurineME944930-C00245--
Testosterone sulfateTestosterone sulfateME944822-C04555--
Tetradecanedioic acidTetradecanedioic acidME944972-C11002--
Thiosulfic acid-ME944911----
Threonic acid_1Threonic acidME944801-C01620--
Threonic acid_2Threonic acidME944918-C01620--
Threonic acid_3Threonic acidME944929----
Tyrosine_1TyrosineME944870-C00082--
Tyrosine_2TyrosineME944932-C00082--
Undecylic acidUndecylic acidME944828-C17715--
UracilUracilME944965-C00106--
Uric acid_1Uric acidME944797-C00366--
Uric acid_2Uric acidME944813-C00366--
Uric acid_3Uric acidME944935-C00366--
UridineUridineME944786-C00299--
Ursodeoxycholic acidUrsodeoxycholic acidME944991-C17660|C17646|C02528|C04483|C17662|C15515|C07880|C17661|C04483--
XanthineXanthineME944837-C00385--
Xanthurenic acidXanthurenic acidME944978-C02470--


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
13,14-Dihydro-15-keto-PGA2_113,14-Dihydro-15-keto-PGA2ME945167----
13,14-Dihydro-15-keto-PGA2_213,14-Dihydro-15-keto-PGA2ME945202----
15-oxoEDE15-oxoEDEME945174----
1-Azaniumylcyclohexane-1-carboxylate1-Azaniumylcyclohexane-1-carboxylateME945269----
1H-Indole-3-carboxaldehyde_11H-Indole-3-carboxaldehydeME945123----
1H-Indole-3-carboxaldehyde_21H-Indole-3-carboxaldehydeME945165-C08493--
1H-Indole-3-carboxamide, 1-(5-chloropentyl)-N-1-na...-ME945156----
1H-Pyrazole-3-carboxamide, 5-(4-chloro-3-methylphe...-ME945149----
1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine-ME945159----
1-Octanone, 1-(4-Fluorophenyl)-2-(1-pyrrolidinyl)--ME945104----
1-Palmitoyl-2-lauroyl-sn-glycero-3-phosphorylcholi...-ME945196----
(1R)-Chrysanthemolactone-ME945106----
1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholin...-ME944996----
21-Hydroxy-5beta-pregnane-3,11,20-trione_121-Hydroxy-5beta-pregnane-3,11,20-trioneME945150-C05477--
21-Hydroxy-5beta-pregnane-3,11,20-trione_221-Hydroxy-5beta-pregnane-3,11,20-trioneME945233-C05477--
2-{2-benzimidazol-2-yl-1-[(4-methylphenyl)methyl]e...-ME945176----
2E,4E-Dodecadienoic acid2E,4E-Dodecadienoic acidME945097----
2-Methyl-6(S)-(3-pyridyl)tetrahydro-1,2-oxazine-ME945115----
2-Methylindoline2-MethylindolineME945235----
2-Methyl-N-(4-Methylphenyl)alanine-ME945095----
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-d...-ME945105----
2-Piperidinone2-PiperidinoneME945130----
3-(3,4,5-Trimethoxyphenyl)propanoic acid-ME945231----
3-(3-Hydroxyphenyl)propanoic acid3-(3-Hydroxyphenyl)propanoic acidME945258-C11457--
3,4',5-Trismethoxybenzophenone-ME945224----
3-Acetyl-11-keto-.beta.-boswellic acid_1-ME945068----
3-Acetyl-11-keto-.beta.-boswellic acid_2-ME945177----
3-Hydroxybiphenyl-ME945238----
3-Hydroxyxanthone-ME945024----
3-Indolepropionic acid3-Indolepropionic acidME945008----
4-BENZOYLBUTYRIC ACID_1-ME945075----
4-BENZOYLBUTYRIC ACID_2-ME945261----
4-BENZOYLBUTYRIC ACID_3-ME945273----
(4-Chlorophenyl)biguanide-ME945240----
4-formyl Indole(1)-ME945135-C08493--
4-Methylcyclohexylamine-ME945032----
4-Methylumbelliferyl heptanoate-ME945225----
5-[1-(Phenylmethyl)-1H-indazol-3-yl]-2-furanmethan...-ME945138----
5(6)-Epoxy-8Z,11Z,14Z,17Z-eicosatetraenoic acid, m...-ME945199----
5.alpha.-Pregnane-3.beta.,17-diol-20-one-ME945197----
5-Amino-1-pentanol_1-ME945030----
5-Amino-1-pentanol_2-ME945181----
5-Chloro-2-methyl-4-isothiazolin-3-one (CMI)-ME945183----
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL_1-ME945012-C17649--
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL_2-ME945213-C17649--
5'-Fluoro-2'-hydroxy-4-methylchalcone-ME945243----
5'-Methylthioadenosine5'-MethylthioadenosineME945236-C00170--
6-Dehydrotestosterone glucuronide-ME945211-C03033--
7alpha-Hydroxy-3-oxo-4-cholestenoic acid7alpha-Hydroxy-3-oxo-4-cholestenoic acidME945084-C17337--
7-Amino-4-methylquinolin-2-ol-ME945026-C01017|C00643|C00643--
7-Hydroxymitragynine7-HydroxymitragynineME945245----
8Z,14Z-Eicosadienoic acid-ME945062----
9-Oxo-10(E),12(E)-octadecadienoic acid-ME945052----
9-Oxo-11-(3-pentyl-2-oxiranyl)-10E-undecenoic acid-ME945163----
9-oxo-OTrE_19-oxo-OTrEME945013----
9-oxo-OTrE_29-oxo-OTrEME945058----
Abscisic acidAbscisic acidME945023-C06082--
AcetaminophenAcetaminophenME945250----
Acrylfentanyl-ME945042----
Adapalene-ME945136----
Ala-ArgAla-ArgME945011----
.alpha.-Asarone-ME945220-C17846--
alpha-Hydroxytriazolamalpha-HydroxytriazolamME945267----
alpha-Ionone_1alpha-IononeME945019----
alpha-Ionone_2alpha-IononeME945022----
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME945005-C04148--
Asn-GluAsn-GluME945040----
Aspartic acidAspartic acidME945127-C00049--
Benthiavalicarb-isopropyl-ME945239----
Benzene, 1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methy...-ME945210-C00280--
BenzophenoneBenzophenoneME945148-C06354--
BiliverdinBiliverdinME945212-C00500--
Bufalin-ME945080-C08150--
Buphedrone-ME945131----
C10:0 AC-ME945099----
C10:0,OH AC (Hydroxydecanoyl carnitine)-ME945142----
C10:3 AC(1)-ME945140----
C11:0 AC-ME945230----
C12:1 AC-ME945228----
C12:1 FA(1)-ME945204----
C14:1 AC-ME945158----
C14:2 AC-ME945226----
C16:0 AC (L-Palmitoylcarnitine)_1-ME945205-C02990--
C16:0 AC (L-Palmitoylcarnitine)_2-ME945216----
C18:1 AC-ME945168----
C18:2 AC-ME945208----
C18 Sphingosine 1-phosphate_1-ME945053-C06124--
C18 Sphingosine 1-phosphate_2-ME945170-C06124--
C20:4,OH FA(1)-ME944998----
C4:0 AC-ME945121-C02862--
C5:0 AC-ME945259----
C6:0 AC-ME945251----
C8:1 AC-ME945246----
CaffeineCaffeineME945134-C07481--
CAR 2:0CAR 2:0ME945124----
CarnitineCarnitineME945125-C00318--
CerP 18:1;O2/8:0CerP 18:1;O2/8:0ME945187----
Choline phosphate_1Choline phosphateME945164----
Choline phosphate_2Choline phosphateME945198----
CinchonineCinchonineME945255----
cis-13-Eicosenoic acid-ME945180----
cis-4-Hydroxyprolinecis-4-HydroxyprolineME945266-C01157--
CitrininCitrininME945034-C16765--
CorticosteroneCorticosteroneME945200-C02140--
CortisolCortisolME945043-C00735--
CreatinineCreatinineME945272-C00791--
Cyclo(Leu-Pro)Cyclo(Leu-Pro)ME945137----
Daidzein-8-C-glucoside-ME945007----
DehydroepiandrosteroneDehydroepiandrosteroneME945092-C01227--
Diethyl ethylphosphonate-ME945229----
Diethyl phthalateDiethyl phthalateME945209----
DigitoxigeninDigitoxigeninME945160----
Dinor-12-oxophytodienoic acid_1-ME945050----
Dinor-12-oxophytodienoic acid_2-ME945157----
Dinor-12-oxophytodienoic acid_3-ME945215----
Diphenylsulfoxide-ME945271----
DL-o-Tyrosineo-TyrosineME945025----
Drostanolone-ME945162-C14605--
D-TryptophanD-TryptophanME944995-C00078--
Dyphylline_1DyphyllineME945100-C07819--
Dyphylline_2DyphyllineME945107-C07819--
Ectoine; CE10; WQXNXVUDBPYKBA-YFKPBYRVSA-N-ME945227----
Edaravone-ME945028-C13008--
Edetic acidEdetic acidME945002----
EnoxacinEnoxacinME945241-C06979--
EphedrineEphedrineME945257-C01575--
EpiandrosteroneEpiandrosteroneME945169-C07635--
Eprosartan_1EprosartanME945046-C07467--
Eprosartan_2EprosartanME945219-C07467--
Epsilon-caprolactamEpsilon-caprolactamME945033----
Estra-1,3,5(10),7-tetraene-3,17.beta.-diol-ME945091----
EtodolacEtodolacME945146-C06991--
Eurycomalactone-ME945133----
ExemestaneExemestaneME945254-C08162--
FenchoneFenchoneME945114----
FentanylFentanylME945103----
FexofenadineFexofenadineME945151-C06999--
FluconazoleFluconazoleME945145----
FurmecycloxFurmecycloxME945009----
gamma-Dodecalactonegamma-DodecalactoneME945044----
gamma-Glutamylleucinegamma-GlutamylleucineME945260----
.gamma.-Glutamyl-(S)-allyl-L-cysteine-ME945037----
Ginkgolide AGinkgolide AME945035-C07601--
GlucosamineGlucosamineME945111-C00329--
Glu-LeuGlu-LeuME945093----
Glu-PheGlu-PheME945256----
Glutamic acidGlutamic acidME945003----
Glycochenodeoxycholic acid_1Glycochenodeoxycholic acidME944994-C05466--
Glycochenodeoxycholic acid_2Glycochenodeoxycholic acidME945094-C05466--
Glycochenodeoxycholic acid_3Glycochenodeoxycholic acidME945207-C05466--
Glycochenodeoxycholic acid_4Glycochenodeoxycholic acidME945214-C05466--
Glycyrrhetinic acid _1Glycyrrhetinic acidME945074-C02283--
Glycyrrhetinic acid _2Glycyrrhetinic acidME945194-C02283--
Haloxyfop-ME945144----
Hexaethylene glycolHexaethylene glycolME945248----
Himbacine-ME945171----
His-HisHis-HisME945147----
Histamine-trifluoromethyltoluide-ME945206----
Histidine_1HistidineME945244-C00135--
Histidine_2HistidineME945264-C00135--
Hydroxycholenoic acidHydroxycholenoic acidME945055----
Hydroxy octadecatrienoic acid-ME945015-C16300--
HypoxanthineHypoxanthineME945262-C00262--
IpconazoleIpconazoleME945188----
Isatin-ME945237----
Isocaproic acidIsocaproic acidME945182----
Isopropyl 4-hydroxybenzoate-ME945232----
KynurenineKynurenineME945117----
Linoleic acid_1Linoleic acidME945059-C01595--
Linoleic acid_2Linoleic acidME945090-C01595--
Linoleic acid methyl ester-ME945061----
LPC 14:0LPC 14:0ME945089-C04230--
LPC 15:0_1LPC 15:0ME945060-C04230--
LPC 15:0_2LPC 15:0ME945086-C04230--
LPC 16:0_1LPC 16:0ME944997-C04230--
LPC 16:0_2LPC 16:0ME945054-C04230--
LPC 16:1LPC 16:1ME945056-C04230--
LPC 18:0_1LPC 18:0ME945018-C04230--
LPC 18:0_2LPC 18:0ME945193-C04230--
LPC 18:1LPC 18:1ME945020-C04230--
LPC 18:2LPC 18:2ME945016-C04230--
LPC 20:1LPC 20:1ME945064-C04230--
LPC 20:2_1LPC 20:2ME945063-C04230--
LPC 20:2_2LPC 20:2ME945077-C04230--
LPC 20:3LPC 20:3ME945195-C04230--
LPC 20:4LPC 20:4ME945021-C04230--
LPC 20:4/0:0LPC 20:4/0:0ME945185-C04230--
LPC 20:5LPC 20:5ME945088-C04230--
LPC 22:5LPC 22:5ME945081-C04230--
LPC 22:6LPC 22:6ME945083-C04230--
LPC 24:0LPC 24:0ME945190----
LPC O-18:0LPC O-18:0ME945186-C04317--
LPC P-16:0LPC P-16:0ME945065-C04230--
LPC P-18:0LPC P-18:0ME945189-C04230--
LPE 18:0LPE 18:0ME945069----
LPE 18:2LPE 18:2ME945085----
LPE 20:0LPE 20:0ME945066-C04230--
LPE 20:1_1LPE 20:1ME945079----
LPE 20:1_2LPE 20:1ME945175----
LPE 20:5_1LPE 20:5ME945087----
LPE 20:5_2LPE 20:5ME945203----
MaclurinMaclurinME945096-C09951--
Methylprednisolone-ME945010----
Met(O)-Pro-ME945109----
MetoprololMetoprololME945153-C07202--
Metribuzin-diketo-ME945143----
MG 0:0/20:4(5Z,8Z,11Z,14Z)/0:0MG 0:0/20:4(5Z,8Z,11Z,14Z)/0:0ME945072----
MG 18:3MG 18:3ME945017----
MG 20:4_1MG 20:4ME945071----
MG 20:4_2MG 20:4ME945173-C13856--
MMV019790-ME945048----
MMV020120-ME945067----
MMV676588-ME945152----
MMV687248-ME945253----
MoclobemideMoclobemideME945082----
Monoethyl phthalateMonoethyl phthalateME945223----
MonuronMonuronME945128----
MorphineMorphineME945155-D08233--
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME945120-C05842--
N-(2-Hydroxyethyl)-8(9)-epoxy-5Z,11Z,14Z-eicosatri...-ME945051----
N-(2-Hydroxyethyl)-8(9)-epoxy-5Z,11Z,14Z-eicosatri...-ME945161----
N-(4-Piperidinyl)acetamide-ME945242----
N6-Carbamoyl-L-threonyladenosineN6-Carbamoyl-L-threonyladenosineME945249----
N-AcetylarginineN-AcetylarginineME944999----
NaproxenNaproxenME945000-C01517--
N-butylbenzenesulphonamide-ME945101----
NiacinamideNiacinamideME945129-C00153--
Nicotinoylcholine-ME945045----
N-Methyl-alpha-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME945116----
N-MethylhistidineN-MethylhistidineME945268-C01152--
N-Methylpropionamide-ME945122----
Norfenfluramine-ME945110----
NorleucineNorleucineME945004-C01933--
O-(Desmorpholinopropyl)gefitinib-ME945038----
Oxprenolol-ME945178----
PalmitamidePalmitamideME945078----
Palmitelaidic acidPalmitelaidic acidME945014----
Palmitoyl-EAPalmitoyl-EAME945218-D08328--
PC 16:0/16:0PC 16:0/16:0ME945070-C00157--
PC P-18:0/18:1(9Z)PC P-18:0/18:1(9Z)ME945073----
PE O-18:2/20:4PE O-18:2/20:4ME945184----
PhenylalaninePhenylalanineME945118-C00079--
Phe-PhePhe-PheME945112----
Phe-TrpPhe-TrpME945247----
PHIP-ME945102----
PhytosphingosinePhytosphingosineME945049-C12144--
PiperinePiperineME945222-C03882--
Plerixafor-ME945191----
PrednisolonePrednisoloneME945201----
ProlineProlineME945119-C00148--
Proline; CE10; ONIBWKKTOPOVIA-BYPYZUCNSA-N-ME945270----
Propazine-ME945001-C14312--
Propionyl-carnitine; CE20; UFAHZIUFPNSHSL-MRVPVSSY...-ME945265-C03017--
PsoralidinPsoralidinME945047-C10523--
Pyroglutamic acid_1Pyroglutamic acidME945029----
Pyroglutamic acid_2Pyroglutamic acidME945126-C00064--
Pyroglutamic acid_3Pyroglutamic acidME945252----
Quinoline_1QuinolineME945006-C06413--
Quinoline_2QuinolineME945108-C06413--
SabineneSabineneME945221----
S-AdenosylmethionineS-AdenosylmethionineME945139-C00019--
Salicylic acid ethyl ester-ME945036----
S-AllylcysteineS-AllylcysteineME945027-C16759--
S-Hydroprene-ME945057----
SM 18:1;O2/16:0SM 18:1;O2/16:0ME945179----
Sorbic acid_1Sorbic acidME945031----
Sorbic acid_2Sorbic acidME945234----
SphinganineSphinganineME945217-C00836--
Sphinganine 1-phosphateSphinganine 1-phosphateME945172-C01120--
StearamideStearamideME945076-C13846--
Tetrodotoxin-ME945041----
TheobromineTheobromineME945132-C13747--
ThiabendazoleThiabendazoleME945113-C07131--
Thiocarlide-ME945141----
Thr-His-GluThr-His-GluME945098-C05471--
Tricyclo[3.3.1.1(3,7)]decane-1-carboxamide, N-[2-(...-ME945154----
Tyr-LeuTyr-LeuME945166----
Tyr-ThrTyr-ThrME945039----
Tyr-ValTyr-ValME945192----
Uric acid; CE10; LEHOTFFKMJEONL-UHFFFAOYSA-N-ME945263-C00366--


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
10-Gingerol-ME945362-C17496--
11beta-Hydroxyandrosterone-3-glucuronide11beta-Hydroxyandrosterone-3-glucuronideME945302----
13-Oxo-ODE13-Oxo-ODEME945358----
15S-Hydroperoxy-11Z,13E-eicosadienoic acid-ME945393----
1-Oleoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-gl...-ME945346----
2-Pyrrolidinone-5-carboxylic acid-ME945448----
3-[1-(3-Aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...-ME945288----
3-(2,5-Dimethoxyphenyl)propanoic acid3-(2,5-Dimethoxyphenyl)propanoic acidME945319----
3beta,16alpha-Dihydroxyandrostenone 3-sulfate_13beta,16alpha-Dihydroxyandrostenone 3-sulfateME945330----
3beta,16alpha-Dihydroxyandrostenone 3-sulfate_23beta,16alpha-Dihydroxyandrostenone 3-sulfateME945423----
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME945277----
3-Dehydrocholic acid3-Dehydrocholic acidME945412----
3-Furoic acid3-Furoic acidME945447----
3-Indolepropionic acid3-Indolepropionic acidME945299----
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME945313-C03465--
4-formyl Indole(1)-ME945433----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME945434-C00156--
4-Hydroxybutyric acid4-Hydroxybutyric acidME945308-C00989--
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME945442----
4-Methylphenylacetic acid-ME945322----
4-Nitrophenol4-NitrophenolME945435----
4-Pregnen-17.alpha., 20.beta.-diol-3-one-20-sulfat...-ME945338----
5alpha-Androstane-3alpha-ol-17-one sulfate_15alpha-Androstane-3alpha-ol-17-one sulfateME945352----
5alpha-Androstane-3alpha-ol-17-one sulfate_25alpha-Androstane-3alpha-ol-17-one sulfateME945413----
5.alpha.-Pregnan-3.alpha.,17-diol-20-one 3-sulfate-ME945414----
7-Methylthioheptyl glucosinolate-ME945432----
9,10-DiHOME9,10-DiHOMEME945379----
all-trans-4-Ketoretinoic acid-ME945407-C16678--
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME945284-C04148--
Arachidonic acidArachidonic acidME945375-C00219--
Azelaic acidAzelaic acidME945300-C08261--
C10:0,DC FA (Sebacic acid)(1)-ME945320-C08277--
C10:0,OH FA(2)-ME945415----
C10:1 FA(2)-ME945339----
C10:1,OH FA-ME945321----
C11:1 FA-ME945341-C13910--
C12:0 FA(1)-ME945404-C02679--
C12:0,OH FA(1)-ME945340----
C12:1,DC FA(1)-ME945424-C16308--
C12:1,DC FA(4)-ME945331-C16308--
C12:1 FA(1)-ME945406----
C12:1,OH FA-ME945329----
C12:2,OH FA-ME945347----
C13:0,DC FA(1)-ME945336----
C13:1,OH FA-ME945350----
C14:0,DC FA(2)-ME945343-C11002--
C14:1 FA(2)-ME945363-C08322--
C14:1,OH FA(1)-ME945287----
C14:2,2OH FA (Dihydro-tetradecadienoic acid)-ME945337----
C14:2 FA-ME945355----
C14:2,OH FA-ME945410----
C15:1 FA-ME945364----
C16:0,OH FA(1)_1-ME945289----
C16:0,OH FA(1)_2-ME945388----
C16:0,OH FA(1)_3-ME945392----
C16:1,OH FA(1)_1-ME945398----
C16:1,OH FA(1)_2-ME945400----
C16 Sphingosine 1-phosphateC16 Sphingosine 1-phosphateME945408----
C17:1 FA-ME945383-C16536--
C18:0,DC FA(1)-ME945361----
C18:0,OH FA(2)-ME945394-C03045--
C18:1,DC FA-ME945403----
C18:1,OH FA(1)-ME945365----
C18:2,DC FA-ME945351----
C18:2,OH FA-ME945356-C14826--
C18:4 FA-ME945366-C16300--
C18 Sphingosine 1-phosphate-ME945402-C06124--
C20:4,DC FA-ME945421----
C20:5 FA-ME945291-C06428--
C22:5 FA-ME945377-C16513--
C25:0,OH FA-ME945387----
C8:1,OH FA (Hydroxy-octenoic acid)_1-ME945426----
C8:1,OH FA (Hydroxy-octenoic acid)_2-ME945430----
Caspase 8 Substrate 1, chromogenic-ME945420----
Catechol sulfateCatechol sulfateME945310----
Chenodeoxycholic acid_1Chenodeoxycholic acidME945296----
Chenodeoxycholic acid_2Chenodeoxycholic acidME945359----
Chlorophene-ME945301-D03564--
Chlorothalonil-4-hydroxy-ME945334----
Cholic acidCholic acidME945274----
CinnamoylglycineCinnamoylglycineME945285----
cis-Pinonic acid-ME945298----
Citric acidCitric acidME945281-C00158--
Dehydroascorbic acidDehydroascorbic acidME945446----
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME945411-C04555--
Deoxycholic acid 3-glucuronide_1Deoxycholic acid 3-glucuronideME945353-C03033--
Deoxycholic acid 3-glucuronide_2Deoxycholic acid 3-glucuronideME945409-C03033--
Dihydroxyvitamin D3Dihydroxyvitamin D3ME945304----
DL-Lactic acidLactic acidME945280----
Docosahexaenoic acidDocosahexaenoic acidME945386-C06429--
Docosatetraenoic acidDocosatetraenoic acidME945380-C16527--
Dodecanedioic acidDodecanedioic acidME945419-C02678--
D-TryptophanD-TryptophanME945275-C00078--
Fenofibric acid-ME945286----
Flurtamone-ME945427----
gamma-Glutamylhistidinegamma-GlutamylhistidineME945354----
gamma-Glutamylleucinegamma-GlutamylleucineME945441----
Glu-AsnGlu-AsnME945317----
GlutamineGlutamineME945283----
Glycochenodeoxycholic acid_1Glycochenodeoxycholic acidME945295-C05466--
Glycochenodeoxycholic acid_2Glycochenodeoxycholic acidME945342-C05466--
Glycocholic acid_1Glycocholic acidME945332-C01921--
Glycocholic acid_2Glycocholic acidME945345-C01921--
Glycocholic acid_3Glycocholic acidME945416-C01921--
Heneicosylic acidHeneicosylic acidME945371----
Hexadecadienoic acidHexadecadienoic acidME945367----
Hexadecatrienoic acidHexadecatrienoic acidME945360----
Hippuric acidHippuric acidME945276-C01586--
Hydrocinnamic acidHydrocinnamic acidME945318-C05629--
HydroxyprogesteroneHydroxyprogesteroneME945326-C05498--
Indoleacrylic acidIndoleacrylic acidME945282----
Indoxyl sulfate_1Indoxyl sulfateME945439----
Indoxyl sulfate_2Indoxyl sulfateME945440----
Ketodeoxycholic acidKetodeoxycholic acidME945349----
L-a-Hydroxyisovaleric acid-ME945443----
LeucineLeucineME945306-C00123--
Lithocholic acid 3-sulfateLithocholic acid 3-sulfateME945384----
LPE 16:0LPE 16:0ME945368----
LPE 18:0_1LPE 18:0ME945293----
LPE 18:0_2LPE 18:0ME945374----
LPE 18:0_3LPE 18:0ME945385----
LPE 18:1LPE 18:1ME945369----
LPE 18:2LPE 18:2ME945397----
LPE 20:0LPE 20:0ME945376----
LPE 20:1LPE 20:1ME945292----
LPE 20:2LPE 20:2ME945294----
LPE 20:3LPE 20:3ME945391----
LPE 20:5LPE 20:5ME945357----
LPE 22:5LPE 22:5ME945401----
LPE 22:6LPE 22:6ME945395----
LPE P-16:0LPE P-16:0ME945372----
LPI 20:4LPI 20:4ME945382----
Margaric acidMargaric acidME945378----
Mesaconic acidMesaconic acidME945279-C01732--
Methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME945429----
Methyl acetateMethyl acetateME945311----
MG 15:0MG 15:0ME945348----
MonuronMonuronME945444----
m-Toluic acidm-Toluic acidME945425-C07086--
Myristic acidMyristic acidME945390-C06424--
N-Acetyl-D-Valine-ME945312----
Octadecatrienoic acidOctadecatrienoic acidME945389-C06427--
Palmitic acidPalmitic acidME945305-C00249--
Palmitoleic acidPalmitoleic acidME945373-C08362--
P-Cresol glucuronideP-Cresol glucuronideME945437----
Pentadecatrienoic acidPentadecatrienoic acidME945290----
Perlargonic acid-ME945335-C01601--
PhenolPhenolME945315----
PhenylalaninePhenylalanineME945445-C00079--
Phenylbutyric acidPhenylbutyric acidME945333----
Phlorobenzophenone-ME945422----
PregabalinPregabalinME945314----
Pregnanolone sulfate-ME945405----
PseudobaptigeninPseudobaptigeninME945324-C10522--
PuerarinPuerarinME945428----
Salicylic acidSalicylic acidME945436-C00805--
Scaposin-ME945323----
Sphinganine 1-phosphateSphinganine 1-phosphateME945399-C01120--
Suberic acidSuberic acidME945316----
Sumaresinolic acid-ME945381----
Taurocholic acidTaurocholic acidME945344-C05122--
Tauroursodeoxycholic acidTauroursodeoxycholic acidME945370-C05463--
Tetradecanedioic acidTetradecanedioic acidME945417-C02678--
Tetrahydroaldosterone-3-glucuronide_1Tetrahydroaldosterone-3-glucuronideME945297----
Tetrahydroaldosterone-3-glucuronide_2Tetrahydroaldosterone-3-glucuronideME945418----
Tetrahydrocortisol glucuronide(2)_1-ME945325----
Tetrahydrocortisol glucuronide(2)_2-ME945327----
TheophyllineTheophyllineME945438-C07130--
ThyroxineThyroxineME945328-C01829--
Tridecylic acidTridecylic acidME945396-C17076--
TyrosineTyrosineME945307-C00082--
Undecanedioic acidUndecanedioic acidME945303----
Uric acidUric acidME945278-C00366--
XanthineXanthineME945309-C00385--
Zolpidem phenyl-4-carboxylic acid-ME945431----


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