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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
11-Cis-Retinol11-cis-RetinolME442829----
1,2-dioctanoyl PC-ME442912----
1,2-dodecanoyl PC-ME442916----
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide-ME442775----
15(S)-HETE15S-HETEME442921----
1-Aminopropan-2-ol-ME442888----
1-methylhistamine1-MethylhistamineME442922----
1-Methylhistidine1-MethylhistidineME442777----
2-(3,4-dimethoxyphenyl)ethanamine-ME442864----
2,4-DihydroxypteridineLumazineME442897----
2-Aminoadipic Acidalpha-Aminoadipic acidME442832----
2'-Deoxycytidine 5'-DiphosphatedCDPME442898----
2'-DeoxyinosineDeoxyinosineME442778----
2'-Hydroxy-5'-methylacetophenone-ME442863----
2-Hydroxy-6-Aminopurine-ME442779----
2-Hydroxycinnamic acidtrans-o-Coumaric acidME442842----
2-MethylbutyroylcarnitineCAR 4:0;2MeME442865----
2-O-ethyl PAF C-16-ME442927----
2-O-methyl PAF C-16-ME442928----
2-Pentyl-3-phenyl-2-propenal-ME442884----
2-Phenylacetamide2-PhenylacetamideME442873----
3,3',5-Triiodo-L-ThyronineLiothyronineME442788----
3'-Aenylic Acid-ME442780----
3-Hydroxyhippuric Acid3-Hydroxyhippuric acidME442822----
3-HydroxykynurenineHydroxykynurenineME442836----
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME442892----
3-Methoxytyramine3-MethoxytyramineME442903----
3-methylindole3-MethylindoleME442924----
3-(Methylthio)-1-propanol3-(Methylthio)-1-propanolME442883----
3-N-Methyl-L-Histidine-ME442755----
4-Aminophenol4-AminophenolME442885----
4-Guanidinobutyric Acid4-Guanidinobutanoic acidME442801----
4-Hydroxyretinoic Acid-ME442825----
(4Z, 7Z, 10Z, 13Z, 16Z, 19Z) -Eicosahexaenoate-ME442929----
5-Aminolevulinate5-Amino-levulinic acidME442838----
5-Aminosalicylic Acid-ME442851----
5-Aminovaleric Acid5-Aminopentanoic acidME442802----
5'-Deoxy-5'-(Methylthio) Adenosine5'-MethylthioadenosineME442827----
5-Hydroxyindole-3-Acetic Acid5-Hydroxyindoleacetic acidME442797----
5-OxoprolinePyroglutamic acidME442756----
6-Aminocaproic Acid6-Aminocaproic acidME442803----
6-Dimethylaminopurine6-DimethylaminopurineME442850----
6-Methylmercaptopurine6-MethylthiopurineME442834----
6-Methylnicotinamide-ME442887----
7-Methyluric Acid7-Methyluric acidME442804----
7-Methylxanthine7-MethylxanthineME442781----
Acetyl-L-carnitineCAR 2:0ME442844----
AdenineAdenineME442782----
AdenosineAdenosineME442783----
AldosteroneAldosteroneME442919----
aminoisobutyric acidAminoisobutyric acidME442907----
Anisic acid-ME442871----
Barbituric acidBarbituric acidME442881----
Benzoic AcidBenzoic acidME442774----
Benzylcinnamate-ME442872----
beta-Alaninebeta-AlanineME442906----
BetaineBetaineME442757----
Beta-murine-ME442914----
BiliverdinBiliverdinME442908----
BiopterinBiopterinME442820----
ButylamineButylamineME442876----
Carnitine C10:0CAR 10:0ME442970----
Carnitine C11:0CAR 11:0ME442968----
Carnitine C11:1CAR 11:1ME442969----
Carnitine C11:DC-ME442964----
Carnitine C12:1CAR 12:1ME442966----
Carnitine C12-OHCAR 12:0;OHME442963----
Carnitine C13:1CAR 13:1ME442965----
Carnitine C14:1CAR 14:1ME442961----
Carnitine C14:2CAR 14:2ME442962----
Carnitine C14:2-OHCAR 14:2;OHME442960----
Carnitine C14-OHCAR 14:0;OHME442959----
Carnitine C15:0CAR 15:0ME442953----
Carnitine C15:1:DC-ME442958----
Carnitine C15:DC-ME442957----
Carnitine C17:1:DC-ME442955----
Carnitine C18:2-OHCAR 18:2;OHME442956----
Carnitine C22:2CAR 22:2ME442954----
Carnitine C4:0CAR 4:0ME442978----
Carnitine C4:DC-ME442975----
Carnitine C5:0CAR 5:0ME442976----
Carnitine C5:1CAR 5:1ME442977----
Carnitine C7:1CAR 7:1ME442973----
Carnitine C8:1CAR 8:1ME442972----
Carnitine C9:0CAR 9:0ME442971----
Carnitine C9:DC-ME442967----
Carnitine ph-C1-ME442974----
CatecholPyrocatecholME442902----
CholineCholineME442776----
CortisolCortisolME442899----
Creatine phosphatePhosphocreatineME442926----
CreatinineCreatinineME442805----
Creosol-ME442882----
CyclohexylamineCyclohexylamineME442875----
Delta-Hexalactone-ME442905----
D-Homocysteine-ME442741----
DihydrouracilDihydrouracilME442856----
Dimethyl fumarate-ME442868----
Dl-2-Aminooctanoic Acid2-Aminocaprylic acidME442806----
DL-CarnitineCarnitineME442848----
DL-HomoserineHomoserineME442809----
DL-Pipecolic AcidPipecolic acidME442826----
DL-StachydrineStachydrineME442846----
D-MannitolMannitolME442791----
Dodecanedioic Aicd-ME442807----
EstroneEstroneME442920----
Ethyl dodecanoateEthyl dodecanoateME442874----
GlycineGlycineME442742----
Glycocholic AcidGlycocholic acidME442918----
Glycyl-L-valineGly-ValME442913----
GlycylphenylalanineGly-PheME442891----
Guanidineacetic AcidGuanidoacetic acidME442808----
Hemolytic PAF C-18-ME442923----
Hexyl butyrateHexyl butanoateME442880----
Iminodiacetic acidIminodiacetateME442909----
IndoleIndoleME442837----
Indole-3-Acetic AcidIndoleacetic acidME442798----
Indole-3-Carboxaldehyde1H-Indole-3-carboxaldehydeME442799----
Indole-5-carboxylic acidIndole-5-carboxylic acidME442911----
Isobutyl decanoate-ME442890----
Isobutyryl carnitineCAR 3:0;2MeME442858----
Isonicotinic acidIsonicotinic acidME442866----
L-AlanineAlanineME442746----
L-Alanyl-L-LysineAla-LysME442772----
L-Aspartic AcidAspartic acidME442747----
L-CystathionineCystathionineME442758----
L-Glutamic AcidGlutamic acidME442748----
L-HistidineHistidineME442749----
L-HomoarginineHomoarginineME442823----
L-HomocitrullineHomocitrullineME442759----
Lithocholic acidLithocholic acidME442917----
L-LysineLysineME442744----
L-MethionineMethionineME442750----
L-NorleucineNorleucineME442847----
L-OrnithineOrnithineME442745----
L-PhenylalaninePhenylalanineME442751----
L-phenylalanyl-L-prolinePhe-ProME442869----
L-ProlineProlineME442752----
L-TryptophanTryptophanME442753----
L-TryptophanamideTryptophanamideME442901----
L-TyrosineTyrosineME442743----
LumichromeLumichromeME442900----
L-ValineValineME442754----
Lysopc 14:0LPC 14:0ME442812----
Lysopc 15:0LPC 15:0ME442839----
Lysopc 16:0LPC 16:0ME442813----
LysoPC 16:0(2n isomer)-ME442951----
Lysopc 16:1LPC 16:1ME442814----
LysoPC 16:1(2n isomer)-ME442952----
Lysopc 17:0LPC 17:0ME442833----
Lysopc 18:0LPC 18:0ME442815----
LysoPC 18:0(2n isomer)-ME442947----
Lysopc 18:1LPC 18:1ME442816----
LysoPC 18:1(2n isomer)-ME442948----
Lysopc 18:2LPC 18:2ME442817----
LysoPC 18:2(2n isomer1)-ME442949----
Lysopc 18:3LPC 18:3ME442841----
LysoPC 18:3(2n isomer2)-ME442950----
Lysopc 20:1LPC 20:1ME442818----
LysoPC 20:1(2n isomer)-ME442938----
Lysopc 20:2LPC 20:2ME442819----
LysoPC 20:2(2n isomer1)-ME442940----
LysoPC 20:2(2n isomer2)-ME442939----
LysoPC 20:3LPC 20:3ME442942----
LysoPC 20:3(2n isomer)-ME442941----
LysoPC 20:4LPC 20:4ME442944----
LysoPC 20:4(2n isomer)-ME442943----
LysoPC 20:5LPC 20:5ME442945----
LysoPC 20:5(2n isomer)-ME442946----
LysoPC 22:4LPC 22:4ME442933----
LysoPC 22:4 (2n isomer1)-ME442932----
LysoPC 22:5 (2n isomer1)-ME442936----
LysoPC 22:5 (2n isomer2)-ME442935----
LysoPC 22:5 (2n isomer3)-ME442934----
LysoPC 22:6LPC 22:6ME442937----
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME442870----
Lysope 18:2 (2N Isomer)-ME442840----
MAG(16:1)MG 16:1ME442931----
MAG(16:1)isomer-ME442930----
Maleic AcidMaleic acidME442810----
Methionine SulfoxideMethionine sulfoxideME442760----
MethylcysteineMethylcysteineME442877----
Methyl dihydrojasmonate-ME442879----
Methyl Indole-3-AcetateIndole-3-methyl acetateME442800----
Methyl jasmonateMethyl jasmonateME442867----
MG (18: 2 (9Z, 12Z) / 0: 0/0: 0) [rac]-ME442915----
MG(20:4)isomer-ME442983----
MG(20:5)MG 20:5ME442982----
MG(20:5)isomer-ME442981----
MG(22:6)MG 22:6ME442980----
MG(22:6)isomer-ME442979----
N1-AcetylspermineN1-AcetylspermineME442857----
N6-Acetyl-L-LysineN6-AcetyllysineME442762----
N-AcetylaspartateN-Acetylaspartic acidME442763----
N-Acetyl-D-GlucosamineN-Acetyl-D-glucosamineME442792----
N-Acetyl-L-alanineN-AcetylalanineME442849----
N-Acetyl-L-TyrosineN-AcetyltyrosineME442764----
N-AcetylmannosamineN-Acetyl-mannosamineME442765----
N-AcetylphenylalanineN-AcetylphenylalanineME442861----
Nalpha-Acetyl-L-ArginineN-AcetylarginineME442767----
Nalpha-Acetyl-L-glutamine-ME442889----
N-Alpha-acetyllysineN(2)-AcetyllysineME442862----
N-Glycyl-L-LeucineGly-LeuME442766----
NicotinamideNiacinamideME442793----
Nicotinic AcidNicotinic acidME442794----
N-MethylalanineN-MethylalanineME442893----
N-Methyl-D-Aspartic AcidN-Methyl-D-aspartic acidME442895----
N-Methyl-L-GlutamateN-Methyl-glutamic acidME442894----
N,N-DimethylglycineDimethylglycineME442761----
NorepinephrineNorepinephrineME442789----
Omega-Hydroxydodecanoic Acid12-Hydroxy lauric acidME442904----
PAF C-16-ME442854----
PantetheinePantetheineME442824----
PantothenolPantothenolME442795----
P-Coumaric Acidcis-p-Coumaric acidME442773----
PE (18: 1 (9Z) / 0: 0)LPE 18:1ME442925----
Phe-PhePhe-PheME442768----
PhosphocholineCholine phosphateME442896----
PterinePterinME442859----
Punicic Acid-ME442831----
PurinePurineME442784----
PYRROLIDINEPyrrolidineME442886----
SebacateSebacic acidME442811----
Sn-Glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME442835----
Stearidonic AcidStearidonic acidME442860----
Succinic AcidSuccinic acidME442790----
Taurocholic Acid Sodium Salt Hydrate-ME442821----
ThiamineThiamineME442845----
Thioacetic acid-S-methyl ester-ME442910----
ThymineThymineME442785----
trans-3-Indoleacrylic acid-ME442843----
Trans-4-Hydroxy-L-Prolinetrans-4-HydroxyprolineME442769----
(-)-trans-Caryophyllenebeta-CaryophylleneME442852----
TriethylamineTriethylamineME442878----
Triethyl phosphateTriethyl phosphateME442853----
TrigonellineTrigonellineME442796----
Trimethylamine N-OxideTrimethylamine N-oxideME442770----
Ubiquinone-1Ubiquinone-1ME442855----
UracilUracilME442786----
UreaUreaME442771----
UridineUridineME442787----
Vitamin ARetinolME442828----
Xanthurenic AcidXanthurenic acidME442830----


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
11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrien...11,12-EpETrEME443177----
12,13-DiHOME12,13-DiHOMEME443214----
12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]12(13)-EpOMEME443178----
(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eic...-ME443168----
(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosate...-ME443169----
12-ketolithocholic acid12-Ketolithocholic acidME443219----
13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic ...-ME443088----
13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]-ME443179----
13(R)-HODE13R-HODEME443204----
14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-doco...-ME443180----
(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eic...-ME443170----
1,6-anhydro-β-D-glucoseGlucosanME443217----
16-Hydroxyhexadecanoic acidJuniperic acidME443218----
(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosate...-ME443171----
(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eic...-ME443172----
(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosate...-ME443173----
1-Naphthylacetic Acid-ME443047----
23-deoxydeoxycholic acid-ME443220----
2',4'-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME443197----
2,4-Dihydroxy Benzoic Acid-ME443120----
2,4-Hexadienoic acidSorbic acidME443162----
2-(4-Hydroxyphenyl)ethanolTyrosolME443133----
2,5-Dihydroxy Benzoic AcidGentisic acidME443010----
2-Aminoethanesulfinic AcidHypotaurineME443048----
2-Aminoethanesulfonic AcidTaurineME443049----
2-Deoxyribose 1-PhosphateDeoxyribose 1-phosphateME443125----
2-(Dimethylamino)Guanosine-ME443111----
2-(Formylamino)Benzoic AcidFormylanthranilic acidME443106----
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid-ME443154----
2-Hydroxy-3,5-dinitrobenzoic acid-ME443223----
2-Hydroxybutanoic Acid2-Hydroxybutyric acidME443050----
2-hydroxyhexadecanoic acid2-Hydroxypalmitic acidME443225----
2-Hydroxyisocaproic Acid2-Hydroxyisocaproic acidME443051----
2-Methoxybenzoic Acid2-Methoxybenzoic acidME443011----
2-Methylguanosine2-MethylguanosineME443136----
2-Methylsuccinic Acid-ME443052----
2-tridecane-ME443222----
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME443189----
3-(3-Hydroxyphenyl)Propionate Acid-ME443103----
3-(4-Hydroxyphenyl)-Propionic AcidDesaminotyrosineME443201----
3-Hydroxy-3-Methyl Butyric Acid3-Hydroxyisovaleric acidME443053----
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME443012----
3-Hydroxybutyrate3-Hydroxybutyric acidME443054----
3-hydroxyhexadecanoic acid3-Hydroxyhexadecanoic acidME443227----
3-Hydroxypropanoic AcidHydroxypropionic acidME443055----
3-Indolepropionic Acid3-Indolepropionic acidME443046----
3-Methylcrotonyl Glycine3-MethylcrotonylglycineME443056----
3-UreidopropionateUreidopropionic acidME443192----
(4E,7E,10Z,13E,16E,19E) -docosa-4,7,10,13,16,19-he...-ME443213----
4-Hydroxy-2-Oxoglutaric Acid4-Hydroxy-2-oxoglutaric acidME443057----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME443104----
4-hydroxybenzoic acid4-Hydroxybenzoic acidME443228----
4-Hydroxybenzyl alcohol4-Hydroxybenzyl alcoholME443164----
4-Hydroxyhippurate4-Hydroxyhippuric acidME443187----
4-Hydroxy-L-Glutamic Acid4-Hydroxy-L-glutamic acidME442992----
4-Methylcatechol4-MethylcatecholME443019----
4-Pyridoxic Acid4-Pyridoxic acidME443013----
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME443202----
(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicos...-ME443174----
(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetr...-ME443175----
5-Hydroxyhexanoic Acid5-Hydroxycaproic acidME443112----
(5-L-Glutamyl)-L-Amino Acid-ME442991----
5-Methoxytryptophol5-MethoxytryptopholME443144----
5-MethyluridineRibothymidineME443024----
6-Ketoprostaglandin E16-Keto PGE1ME443131----
6β-hydroxytestosterone-ME443146----
7-ketolithocholic acid7-Ketolithocholic acidME443216----
8,11-icosadienoic acid-ME443226----
8,15-Dihete8,15-DiHETEME443122----
9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic a...9,10-DiHOMEME443089----
9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]9(10)-EpOMEME443181----
9,12-octadecadienoic acidLinoelaidic acidME443210----
(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatet...-ME443176----
9-HpODE9S-HpODEME443087----
9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]-ME443182----
9(S)-HpOTrE9S-HpOTrEME443205----
Adipic AcidAdipic acidME443058----
A-Ketoglutaric Acid2-Oxoglutaric acidME443028----
AllantoinAllantoinME442993----
Alpha-Mercholic Acid-ME443211----
Aminomalonic AcidAminomalonic acidME443118----
Arachidic Acid(C20:0)-ME443101----
Argininosuccinic acidArgininosuccinic acidME443124----
Asp-pheAsp-PheME442994----
Azelaic AcidAzelaic acidME443059----
BiotinBiotinME443022----
Caffeic AcidCaffeic acidME443060----
Capric Acid(C10:0)Capric acidME443100----
Chenodeoxycholic AcidChenodeoxycholic acidME443018----
Cinnamic Acidtrans-Cinnamic acidME443061----
Cis-11,14,17-Eicosatrienoic Acid(C20:3)-ME443099----
Cis-11,14-Eicosadienoic Acid(C20:2)-ME443098----
Cis-9,10-epoxystearic acid9,10-Epoxystearic acidME443212----
Citramalic AcidCitramalic acidME443029----
Cortisol 21-AcetateCortisol 21-acetateME443194----
CreatineCreatineME443062----
Cyclic Amp3',5' cyclic AMPME443110----
D-Alanyl-D-AlanineD-Alanyl-D-AlanineME442995----
D-ArabitolArabitolME443031----
deoxyguanosine 5'-monophosphate(dGMP)dGMPME443142----
D-ErythronolactoneErythrono-1,4-lactoneME443036----
DethiobiotinDethiobiotinME443195----
D-Glucoronic Acid-ME443042----
D-GlucoseGlucoseME443033----
DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]-ME443097----
Dioxindole-ME443215----
DL-3,4-Dihydroxyphenyl glycol3,4-DihydroxyphenylglycolME443130----
DL-Benzylsuccinic acid-ME443135----
Dl-Glyceraldehyde3-PhosphateGlyceraldehyde 3-phosphateME443119----
D-Malic acidD-Malic acidME443141----
D-MannoseMannoseME443034----
Dodecanoic Acid(C12:0)-ME443094----
D-Sedoheptuiose 7-Phosphate-ME443117----
D-SorbitolSorbitolME443032----
D-TrehaloseTrehaloseME443035----
DulcitolGalactitolME443020----
Elaidic Acid(C18:1N9T)-ME443095----
Ellagic acidEllagic acidME443149----
EnterodiolEnterodiolME443021----
EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]-ME443096----
estrone 3-sulfateEstrone 3-sulfateME443129----
EthylmalonateEthylmalonic acidME443105----
Fumaric AcidFumaric acidME443121----
Gamma-Glu-Leugamma-GlutamylleucineME443155----
Gamma-Mercholic Acid-ME443221----
Glutaric AcidGlutaric acidME443063----
Glycerol 3-phosphatesn-Glycero-3-phosphateME443140----
Glycine deoxycholic acid-ME443208----
Glycine linoleate-ME443249----
Glycochenodeoxycholic AcidGlycochenodeoxycholic acidME443017----
Glycoursodeoxycholic AcidGlycoursodeoxycholic acidME443016----
Glycyl-phenylacrylic acid-ME443203----
Guanidinoethyl SulfonateTaurocyamineME443064----
GuanineGuanineME443116----
GuanosineGuanosineME443025----
Hexadecanedioic acidHexadecanedioic acidME443153----
Hexadecanoic Acid(C16:0)Palmitic acidME443092----
Hexanoyl GlycineHexanoylglycineME442996----
Hippuric AcidHippuric acidME443065----
Hododeoxycholic acid-ME443015----
Homo-Gamma-Linolenic AcidDihomo-gamma-linolenic acidME443209----
Hydantoin-5-propionic acidHydantoin-5-propionic acidME443151----
Hydrocinnamic AcidHydrocinnamic acidME443066----
HypoxanthineHypoxanthineME443026----
Hypoxanthine-9-β-D-Arabinofuranoside-ME443115----
Imidazoleacetic acidImidazoleacetic acidME443138----
Indole-3-carbinolIndole-3-carbinolME443134----
IndoleacetaldehydeIndoleacetaldehydeME443152----
Indoleacrylic acidIndoleacrylic acidME443132----
InosineInosineME443198----
Isopropyl myristate-ME443156----
Kinurenine-ME443067----
Kynurenic AcidKynurenic acidME443068----
LactoseLactoseME443037----
LactuloseLactuloseME443038----
L-ArginineArginineME442986----
L-Asparagine Anhydrous-ME442997----
L-CarnosineCarnosineME442998----
L-CitrullineCitrullineME442987----
L-CysteineCysteineME442999----
L-CystineCystineME442984----
L-Dihydroorotic Acid4,5-Dihydroorotic acidME443070----
L-FucoseFucoseME443039----
L-GlutamineGlutamineME443000----
L-HomoserineHomoserineME443071----
Linoleic Acid(C18:2N6C)-ME443093----
L-IsoleucineIsoleucineME442988----
L-Lactic AcidLactic acidME443069----
L-Pyroglutamic AcidPyroglutamic acidME442989----
L-RhamnoseRhamnoseME443040----
L-SerineSerineME442990----
L-ThreonineThreonineME442985----
L-ThyroxineThyroxineME443027----
Lysopa 16:0LPA 16:0ME443086----
Lysopa 18:0LPA 18:0ME443085----
Lysope 14:0LPE 14:0ME443084----
Lysope 16:0LPE 16:0ME443083----
Lysope 18:0LPE 18:0ME443082----
Lysope 18:1LPE 18:1ME443081----
Lysopg 18:1LPG 18:1ME443080----
MalonicacidMalonic acidME443072----
MaltoseMaltoseME443041----
Mandelic AcidMandelic acidME443073----
Methanesulfonic acidMethanesulfonic acidME443165----
Methylmalonic AcidMethylmalonic acidME443074----
MethylparabenMethylparabenME443167----
Mono-Methyl GlutarateMonomethyl glutaric acidME443196----
MyoinositolMyo-inositolME443186----
N-(2-Methylbenzoyl)glycine-ME443161----
N-acetyl-beta-alanineN-Acetyl-beta-alanineME443188----
N-Acetylglucosamine 1-PhosphateN-Acetyl-D-glucosamine 1-phosphateME443126----
N-AcetylglycineN-AcetylglycineME443109----
N-Acetyl-L-LeucineN-AcetylleucineME443001----
N-AcetylmethionineN-AcetylmethionineME443123----
N-acetylornithineN-AcetylornithineME443190----
N-AcetylthreonineN-AcetylthreonineME443114----
N-AcetylvalineN-AcetylvalineME443139----
N-Alpha-Acetyl-L-AsparagineN-AcetylasparagineME443191----
N-Amidino-L-AspartateGuanidinosuccinic acidME443193----
N'-FormylkynurenineN-Formyl-L-kynurenineME443075----
N-Isovaleroylglycine-ME443002----
N-lactoyl-phenylalanine-ME443137----
N-oleoyl-L-serineNASer 18:1(9Z)ME443250----
N-PhenylacetylglycinePhenylacetylglycineME443003----
N-Propionylglycine-ME443004----
O-Acetyl-L-serineO-AcetylserineME443147----
OctadecanamideStearamideME443158----
O-Phospho-L-SerinePhosphoserineME443005----
Orthocholic acid-ME443224----
Oxaloacetic acidOxaloacetic acidME443160----
Palmitoleic Acid(C16:1)-ME443091----
PantothenatePantothenic acidME443044----
PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien...PGF2alphaME443184----
Phenylacetyl-L-Glutaminealpha-N-PhenylacetylglutamineME443006----
Phenyllactate(Pla)Phenyllactic acidME443076----
PhosphoenolpyruvatePhosphoenolpyruvic acidME443199----
Pimelic acidPimelic acidME443127----
PropylparabenPropylparabenME443166----
Prostaglandin E2PGE2ME443183----
PyrocatecholPyrocatecholME443206----
Pyrrole-2-Carboxylic AcidPyrrole-2-carboxylic acidME443077----
PysoPE 16:0(2n isomer)-ME443247----
PysoPE 16:1-ME443248----
PysoPE 18:0(2n isomer)-ME443243----
PysoPE 18:2-ME443244----
PysoPE 18:3-ME443246----
PysoPE 18:3(2n isomer)-ME443245----
PysoPE 20:2-ME443237----
PysoPE 20:2(2n isomer1)-ME443236----
PysoPE 20:3-ME443239----
PysoPE 20:3(2n isomer1)-ME443238----
PysoPE 20:4(2n isomer1)-ME443240----
PysoPE 20:5-ME443242----
PysoPE 20:5(2n isomer1)-ME443241----
PysoPE 22:4-ME443230----
PysoPE 22:4(2n isomer1)-ME443229----
PysoPE 22:5(2n isomer1)-ME443233----
PysoPE 22:5(2n isomer2)-ME443232----
PysoPE 22:5(2n isomer3)-ME443231----
PysoPE 22:6-ME443235----
PysoPE 22:6(2n isomer1)-ME443234----
RiboflavinRiboflavinME443045----
Ricinoleic acidRicinoleic acidME443163----
S-(5-Adenosy)-L-Homocysteine-ME443007----
Salicyluric acidSalicyluric acidME443148----
S-Sulfo-L-CysteineCysteine-S-sulfateME443008----
SubericacidSuberic acidME443078----
Succinic anhydrideSuccinic anhydrideME443150----
succinylsulfathiazoleSuccinylsulfathiazoleME443157----
Taurocholic AcidTaurocholic acidME443014----
Taurodeoxycholic acidTaurodeoxycholic acidME443207----
Terephthalic AcidTerephthalic acidME443009----
Tetradecanedioic acidTetradecanedioic acidME443143----
TryptamineTryptamineME443030----
TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-o...-ME443079----
TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trie...-ME443185----
Undecanedioic acidUndecanedioic acidME443159----
Ureidoisobutyric AcidUreidoisobutyric acidME443107----
Uric acidUric acidME443200----
Uridine 5-MonophosphateUMPME443108----
Uridine triphosphate(UTP)-ME443145----
Vitamin D3Vitamin D3ME443043----
XanthineXanthineME443023----
XanthosineXanthosineME443128----
Α-Linolenic Acid(C18:3N3)-ME443102----
Β-Pseudouridine-ME443113----
γ-Linolenic Acid(C18:3N6)-ME443090----


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
11-carboxyundecanoyl-carnitine-ME443263----
3-Methylglutaryl-carnitineCAR DC5:0;3MeME443259----
Acetyl-carnitineCAR 2:0ME443252----
Butyryl-carnitineCAR 4:0ME443254----
CE(14:0)CE 14:0ME443273----
CE(16:0)CE 16:0ME443274----
CE(16:1)CE 16:1ME443277----
CE(18:0)CE 18:0ME443275----
CE(18:1)CE 18:1ME443278----
CE(18:2)CE 18:2ME443281----
CE(18:3)CE 18:3ME443283----
CE(20:0)CE 20:0ME443276----
CE(20:1)CE 20:1ME443279----
CE(20:2)CE 20:2ME443282----
CE(20:3)CE 20:3ME443284----
CE(20:4)CE 20:4ME443285----
CE(20:5)CE 20:5ME443287----
CE(22:1)CE 22:1ME443280----
CE(22:4)CE 22:4ME443286----
CE(22:5)CE 22:5ME443288----
CE(22:6)CE 22:6ME443289----
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME443290----
Cer(d18:0/22:0)Cer 18:0;O2/22:0ME443291----
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME443292----
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME443293----
Cer(d18:1/16:1)Cer 18:1;O2/16:1ME443298----
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME443294----
Cer(d18:1/18:1)Cer 18:1;O2/18:1ME443299----
Cer(d18:1/20:0)Cer 18:1;O2/20:0ME443295----
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME443296----
Cer(d18:1/22:1)Cer 18:1;O2/22:1ME443300----
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME443297----
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME443301----
Cer(m18:1/20:0)Cer 18:1;O/20:0ME443302----
Cer(m18:1/22:0)Cer 18:1;O/22:0ME443303----
Cer(m18:1/22:1)Cer 18:1;O/22:1*ME443304----
CerP(d18:1/12:0)CerP 18:1;O2/12:0ME443305----
CerP(d18:1/14:0)CerP 18:1;O2/14:0ME443306----
CerP(d18:1/16:0)CerP 18:1;O2/16:0ME443307----
CerP(d18:1/16:1)CerP 18:1;O2/16:1ME443309----
CerP(d18:1/18:0)CerP 18:1;O2/18:0ME443308----
CerP(d18:1/18:1)CerP 18:1;O2/18:1ME443310----
Cer(t18:0/22:0)Cer 18:0;O3/22:0ME443311----
Cer(t18:0/24:0)Cer 18:0;O3/24:0ME443312----
Coenzyme Q10Coenzyme Q10ME443313----
Decadienoyl-carnitineCAR 10:2ME443270----
Decanoyl-carnitineCAR 10:0ME443260----
Decenoyl-carnitineCAR 10:1ME443267----
DG(12:0/20:0/0:0)DG 12:0/20:0/0:0*ME443315----
DG(12:0/22:0/0:0)DG 12:0/22:0/0:0*ME443318----
DG(14:0/16:0/0:0)DG 14:0/16:0/0:0ME443314----
DG(14:0/18:0/0:0)DG 14:0/18:0/0:0*ME443317----
DG(14:0/18:1/0:0)DG 14:0/18:1/0:0*ME443324----
DG(14:0/18:2/0:0)DG 14:0/18:2/0:0ME443329----
DG(14:0/20:0/0:0)DG 14:0/20:0/0:0*ME443319----
DG(14:0/22:0/0:0)DG 14:0/22:0/0:0*ME443322----
DG(14:0/22:3/0:0)DG 14:0/22:3/0:0*ME443341----
DG(14:0/22:5/0:0)DG 14:0/22:5/0:0*ME443357----
DG(14:1/20:3/0:0)DG 14:1/20:3/0:0*ME443349----
DG(14:1/22:2/0:0)DG 14:1/22:2/0:0*ME443343----
DG(14:1/22:3/0:0)DG 14:1/22:3/0:0*ME443350----
DG(16:0/16:0/0:0)DG 16:0/16:0/0:0*ME443316----
DG(16:0/16:1/0:0)DG 16:0/16:1/0:0ME443325----
DG(16:0/18:0/0:0)DG 16:0/18:0/0:0ME443320----
DG(16:0/18:1/0:0)DG 16:0/18:1/0:0ME443326----
DG(16:0/18:2/0:0)DG 16:0/18:2/0:0ME443331----
DG(16:0/18:3/0:0)DG 16:0/18:3/0:0*ME443340----
DG(16:0/20:0/0:0)DG 16:0/20:0/0:0*ME443321----
DG(16:0/20:1/0:0)DG 16:0/20:1/0:0*ME443327----
DG(16:0/20:2/0:0)DG 16:0/20:2/0:0*ME443334----
DG(16:0/20:3/0:0)DG 16:0/20:3/0:0*ME443345----
DG(16:0/20:4/0:0)DG 16:0/20:4/0:0*ME443353----
DG(16:0/22:6/0:0)DG 16:0/22:6/0:0ME443362----
DG(16:1/18:1/0:0)DG 16:1/18:1/0:0*ME443330----
DG(16:1/18:2/0:0)DG 16:1/18:2/0:0ME443339----
DG(16:1/18:3/0:0)DG 16:1/18:3/0:0*ME443348----
DG(16:1/20:2/0:0)DG 16:1/20:2/0:0*ME443342----
DG(18:0/18:0/0:0)DG 18:0/18:0/0:0ME443323----
DG(18:0/18:1/0:0)DG 18:0/18:1/0:0ME443328----
DG(18:0/18:2/0:0)DG 18:0/18:2/0:0*ME443333----
DG(18:1/18:1/0:0)DG 18:1/18:1/0:0*ME443332----
DG(18:1/18:2/0:0)DG 18:1/18:2/0:0ME443344----
DG(18:1/18:3/0:0)DG 18:1/18:3/0:0*ME443352----
DG(18:1/20:0/0:0)DG 18:1/20:0/0:0ME443336----
DG(18:1/20:1/0:0)DG 18:1/20:1/0:0ME443335----
DG(18:1/20:2/0:0)DG 18:1/20:2/0:0*ME443346----
DG(18:1/20:3/0:0)DG 18:1/20:3/0:0ME443355----
DG(18:1/20:4/0:0)DG 18:1/20:4/0:0ME443359----
DG(18:1/20:5/0:0)DG 18:1/20:5/0:0*ME443361----
DG(18:1/22:5/0:0)DG 18:1/22:5/0:0*ME443364----
DG(18:2/18:2/0:0)DG 18:2/18:2/0:0*ME443351----
DG(18:2/18:3/0:0)DG 18:2/18:3/0:0ME443356----
DG(18:2/20:1/0:0)DG 18:2/20:1/0:0*ME443347----
DG(18:2/20:2/0:0)DG 18:2/20:2/0:0*ME443354----
DG(18:2/20:3/0:0)DG 18:2/20:3/0:0ME443358----
DG(18:2/20:4/0:0)DG 18:2/20:4/0:0ME443360----
DG(18:2/22:4/0:0)DG 18:2/22:4/0:0*ME443363----
DG(20:0/18:2/0:0)DG 20:0/18:2/0:0*ME443337----
DG(22:0/18:2/0:0)DG 22:0/18:2/0:0*ME443338----
Dodecenoyl-carnitineCAR 12:1ME443268----
Free carnitine-ME443251----
glutaconyl-carnitineCAR DC5:1ME443265----
Hexanoyl-carnitineCAR 6:0ME443256----
Hydroxyhexanoyl-carnitineCAR 6:0;OHME443257----
Isovaleryl-carnitineCAR 4:0;3MeME443255----
Lauroyl-carnitineCAR 12:0ME443261----
Linoleyl-carnitineCAR 18:2ME443272----
LPC(12:0/0:0)LPC 12:0/0:0ME443365----
LPC(14:0/0:0)LPC 14:0/0:0ME443366----
LPC(14:1/0:0)LPC 14:1/0:0*ME443370----
LPC(16:1/0:0)LPC 16:1/0:0ME443371----
LPC(18:1/0:0)LPC 18:1/0:0ME443372----
LPC(18:2/0:0)LPC 18:2/0:0ME443375----
LPC(18:3/0:0)LPC 18:3/0:0ME443377----
LPC(20:0/0:0)LPC 20:0/0:0ME443367----
LPC(20:1/0:0)LPC 20:1/0:0ME443373----
LPC(20:2/0:0)LPC 20:2/0:0ME443376----
LPC(20:5/0:0)LPC 20:5/0:0ME443379----
LPC(22:0/0:0)LPC 22:0/0:0ME443368----
LPC(22:1/0:0)LPC 22:1/0:0ME443374----
LPC(22:4/0:0)LPC 22:4/0:0ME443378----
LPC(22:6/0:0)LPC 22:6/0:0ME443380----
LPC(24:0/0:0)LPC 24:0/0:0ME443369----
LPC(O-16:0/0:0)-ME443381----
LPC(O-18:0/0:0)-ME443382----
LPC(O-18:1/0:0)-ME443385----
LPC(O-20:0/0:0)-ME443383----
LPC(O-20:2/0:0)-ME443386----
LPC(O-22:0/0:0)-ME443384----
LPE(0:0/16:0)LPE 0:0/16:0ME443387----
LPE(0:0/18:0)LPE 0:0/18:0ME443388----
LPE(0:0/18:2)LPE 0:0/18:2ME443392----
LPE(0:0/20:0)LPE 0:0/20:0ME443389----
LPE(0:0/20:4)LPE 0:0/20:4ME443393----
LPE(0:0/20:5)LPE 0:0/20:5ME443394----
LPE(0:0/22:0)LPE 0:0/22:0ME443390----
LPE(0:0/22:6)LPE 0:0/22:6ME443395----
LPE(0:0/24:0)LPE 0:0/24:0*ME443391----
LPE(0:0/24:6)LPE 0:0/24:6*ME443396----
LPS(16:0/0:0)LPS 16:0/0:0ME443397----
MG(16:0/0:0/0:0)MG 16:0/0:0/0:0ME443398----
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME443399----
Myristoyl-carnitineCAR 14:0ME443262----
Octanoyl-carnitineCAR 8:0ME443258----
Octenoyl-carnitineCAR 8:1ME443266----
PC(12:0/22:2)PC 12:0/22:2*ME443406----
PC(12:0/22:6)PC 12:0/22:6*ME443430----
PC(14:0/18:2)PC 14:0/18:2ME443405----
PC(14:0/20:3)PC 14:0/20:3ME443412----
PC(14:0/20:5)PC 14:0/20:5ME443422----
PC(14:0/22:6)PC 14:0/22:6ME443431----
PC(16:0/16:0)PC 16:0/16:0ME443400----
PC(16:0/16:1)PC 16:0/16:1ME443403----
PC(16:0/18:0)PC 16:0/18:0ME443401----
PC(16:0/18:1)PC 16:0/18:1ME443404----
PC(16:0/18:2)PC 16:0/18:2ME443407----
PC(16:0/20:4)PC 16:0/20:4ME443419----
PC(16:0/20:5)PC 16:0/20:5ME443425----
PC(16:0/22:0)PC 16:0/22:0ME443402----
PC(16:0/22:5)PC 16:0/22:5ME443426----
PC(16:0/22:6)PC 16:0/22:6ME443433----
PC(16:1/18:2)PC 16:1/18:2ME443411----
PC(16:1/22:2)PC 16:1/22:2*ME443414----
PC(16:1/22:6)PC 16:1/22:6ME443436----
PC(18:0/18:2)PC 18:0/18:2ME443409----
PC(18:0/20:3)PC 18:0/20:3ME443415----
PC(18:0/20:4)PC 18:0/20:4ME443421----
PC(18:0/22:5)PC 18:0/22:5ME443428----
PC(18:0/22:6)PC 18:0/22:6ME443434----
PC(18:1/18:1)PC 18:1/18:1ME443408----
PC(18:1/18:2)PC 18:1/18:2ME443413----
PC(18:1/20:4)PC 18:1/20:4ME443427----
PC(18:1/22:6)PC 18:1/22:6ME443437----
PC(18:2/18:2)PC 18:2/18:2ME443417----
PC(18:2/18:3)PC 18:2/18:3ME443423----
PC(18:2/20:0)PC 18:2/20:0ME443410----
PC(18:2/20:4)PC 18:2/20:4ME443432----
PC(18:2/22:6)PC 18:2/22:6ME443438----
PC(18:3/18:1)PC 18:3/18:1*ME443418----
PC(20:1/20:5)PC 20:1/20:5*ME443435----
PC(20:2/22:6)PC 20:2/22:6ME443439----
PC(22:0/20:5)PC 22:0/20:5*ME443429----
PC(22:2/18:1)PC 22:2/18:1*ME443416----
PC(22:4/14:1)PC 22:4/14:1*ME443424----
PC(22:4/16:0)PC 22:4/16:0*ME443420----
PC(O-16:0/14:0)PC O-16:0/14:0ME443440----
PC(O-16:0/14:1)PC O-16:0/14:1ME443441----
PC(O-16:0/16:2)PC O-16:0/16:2ME443443----
PC(O-16:0/18:2)PC O-16:0/18:2ME443444----
PC(O-16:2/18:1)PC O-16:2/18:1ME443446----
PC(O-16:2/18:2)PC O-16:2/18:2ME443447----
PC(O-16:2/18:3)PC O-16:2/18:3ME443449----
PC(O-18:1/20:0)PC O-18:1/20:0ME443442----
PC(O-18:2/18:2)PC O-18:2/18:2ME443448----
PC(O-18:3/18:2)PC O-18:3/18:2*ME443450----
PC(O-18:3/18:3)PC O-18:3/18:3*ME443452----
PC(O-18:3/20:2)PC O-18:3/20:2*ME443451----
PC(O-18:3/20:3)PC O-18:3/20:3*ME443453----
PC(O-18:3/20:4)PC O-18:3/20:4ME443455----
PC(O-20:1/22:1)PC O-20:1/22:1ME443445----
PC(O-20:3/20:3)PC O-20:3/20:3*ME443454----
PC(O-20:3/20:4)PC O-20:3/20:4*ME443456----
PC(O-20:4/20:4)PC O-20:4/20:4*ME443457----
PE(14:0/22:6)PE 14:0/22:6ME443485----
PE(16:0/14:0)PE 16:0/14:0ME443458----
PE(16:0/16:0)PE 16:0/16:0ME443459----
PE(16:0/18:2)PE 16:0/18:2ME443467----
PE(16:0/20:4)PE 16:0/20:4ME443477----
PE(16:0/22:6)PE 16:0/22:6ME443486----
PE(16:1/14:0)PE 16:1/14:0ME443461----
PE(16:1/18:0)PE 16:1/18:0*ME443462----
PE(16:1/20:4)PE 16:1/20:4ME443482----
PE(18:0/18:0)PE 18:0/18:0ME443460----
PE(18:0/18:2)PE 18:0/18:2ME443469----
PE(18:0/20:4)PE 18:0/20:4ME443479----
PE(18:0/22:4)PE 18:0/22:4ME443480----
PE(18:0/22:6)PE 18:0/22:6ME443488----
PE(18:1/18:0)PE 18:1/18:0*ME443463----
PE(18:1/18:1)PE 18:1/18:1ME443470----
PE(18:1/18:2)PE 18:1/18:2ME443474----
PE(18:2/14:0)PE 18:2/14:0*ME443465----
PE(18:3/16:0)PE 18:3/16:0*ME443473----
PE(18:3/16:1)PE 18:3/16:1*ME443476----
PE(18:4/20:0)PE 18:4/20:0*ME443478----
PE(20:0/18:2)PE 20:0/18:2*ME443471----
PE(20:1/18:0)PE 20:1/18:0*ME443464----
PE(20:1/20:4)PE 20:1/20:4*ME443483----
PE(20:1/20:5)PE 20:1/20:5*ME443487----
PE(20:3/18:0)PE 20:3/18:0*ME443475----
PE(20:3/20:5)PE 20:3/20:5*ME443492----
PE(22:1/20:1)PE 22:1/20:1*ME443472----
PE(22:1/20:4)PE 22:1/20:4ME443484----
PE(22:2/12:0)PE 22:2/12:0*ME443466----
PE(22:2/14:0)PE 22:2/14:0*ME443468----
PE(22:4/22:0)PE 22:4/22:0*ME443481----
PE(22:6/18:1)PE 22:6/18:1*ME443490----
PE(22:6/20:0)PE 22:6/20:0*ME443489----
PE(22:6/20:1)PE 22:6/20:1*ME443491----
PE(P-18:0/16:0)PE P-18:0/16:0ME443493----
PE(P-18:0/18:0)PE P-18:0/18:0ME443494----
PE(P-18:1/16:0)PE P-18:1/16:0ME443495----
PE(P-18:1/18:0)PE P-18:1/18:0ME443496----
PE(P-18:1/20:0)PE P-18:1/20:0ME443497----
PE(P-18:2/16:0)PE P-18:2/16:0*ME443499----
PE(P-18:2/18:0)PE P-18:2/18:0*ME443500----
PE(P-18:2/18:1)PE P-18:2/18:1ME443501----
PE(P-18:2/18:2)PE P-18:2/18:2ME443504----
PE(P-18:2/18:3)PE P-18:2/18:3*ME443508----
PE(P-18:2/20:1)PE P-18:2/20:1*ME443502----
PE(P-18:2/20:2)PE P-18:2/20:2*ME443505----
PE(P-18:2/20:3)PE P-18:2/20:3*ME443509----
PE(P-18:2/20:4)PE P-18:2/20:4ME443513----
PE(P-20:1/20:0)PE P-20:1/20:0ME443498----
PE(P-20:2/20:1)PE P-20:2/20:1*ME443503----
PE(P-20:2/20:2)PE P-20:2/20:2*ME443506----
PE(P-20:2/20:3)PE P-20:2/20:3*ME443510----
PE(P-20:2/20:4)PE P-20:2/20:4ME443514----
PE(P-20:2/20:5)PE P-20:2/20:5*ME443516----
PE(P-20:2/22:2)PE P-20:2/22:2*ME443507----
PE(P-20:2/22:3)PE P-20:2/22:3*ME443511----
PE(P-20:2/22:4)PE P-20:2/22:4*ME443515----
PE(P-20:2/24:3)PE P-20:2/24:3*ME443512----
PE(P-20:2/24:5)PE P-20:2/24:5*ME443517----
Propionyl-carnitineCAR 3:0ME443253----
SM(d18:0/14:0)SM 18:0;O2/14:0ME443518----
SM(d18:0/16:0)SM 18:0;O2/16:0ME443519----
SM(d18:0/18:0)SM 18:0;O2/18:0ME443520----
SM(d18:0/22:0)SM 18:0;O2/22:0ME443521----
SM(d18:0/24:0)SM 18:0;O2/24:0ME443522----
SM(d18:1/12:0)SM 18:1;O2/12:0ME443523----
SM(d18:1/14:0)SM 18:1;O2/14:0ME443524----
SM(d18:1/16:0)SM 18:1;O2/16:0ME443525----
SM(d18:1/16:1)SM 18:1;O2/16:1ME443530----
SM(d18:1/18:0)SM 18:1;O2/18:0ME443526----
SM(d18:1/18:1)SM 18:1;O2/18:1ME443531----
SM(d18:1/20:1)SM 18:1;O2/20:1ME443532----
SM(d18:1/22:0)SM 18:1;O2/22:0ME443527----
SM(d18:1/22:1)SM 18:1;O2/22:1ME443533----
SM(d18:1/24:0)SM 18:1;O2/24:0ME443528----
SM(d18:1/24:1)SM 18:1;O2/24:1ME443534----
SM(d18:2/14:0)SM 18:2;O2/14:0ME443529----
SM(d18:2/18:1)SM 18:2;O2/18:1ME443535----
SM(d18:2/20:1)SM 18:2;O2/20:1ME443536----
SM(d18:2/22:1)SM 18:2;O2/22:1ME443537----
SM(d18:2/24:1)SM 18:2;O2/24:1ME443538----
SM(d18:2/26:1)SM 18:2;O2/26:1ME443539----
Tetradecadienoyl- carnitineCAR 14:2ME443271----
Tetradecenoyl-carnitineCAR 14:1ME443269----
TG(12:0/12:0/18:2)TG 12:0/12:0/18:2*ME443563----
TG(12:0/14:0/18:1)TG 12:0/14:0/18:1*ME443548----
TG(12:0/14:1/18:2)TG 12:0/14:1/18:2*ME443583----
TG(12:0/16:0/18:3)TG 12:0/16:0/18:3*ME443585----
TG(12:0/18:0/18:3)TG 12:0/18:0/18:3*ME443586----
TG(12:0/18:2/18:2)TG 12:0/18:2/18:2*ME443608----
TG(14:0/14:0/16:0)TG 14:0/14:0/16:0*ME443540----
TG(14:0/14:0/18:1)TG 14:0/14:0/18:1*ME443549----
TG(14:0/14:0/18:2)TG 14:0/14:0/18:2*ME443565----
TG(14:0/14:0/20:1)TG 14:0/14:0/20:1*ME443551----
TG(14:0/14:1/18:2)TG 14:0/14:1/18:2*ME443584----
TG(14:0/16:0/16:0)TG 14:0/16:0/16:0ME443541----
TG(14:0/16:0/16:1)TG 14:0/16:0/16:1ME443550----
TG(14:0/16:0/18:0)TG 14:0/16:0/18:0ME443542----
TG(14:0/16:0/18:1)TG 14:0/16:0/18:1ME443552----
TG(14:0/16:0/18:2)TG 14:0/16:0/18:2*ME443569----
TG(14:0/16:0/18:3)TG 14:0/16:0/18:3*ME443589----
TG(14:0/16:0/22:0)TG 14:0/16:0/22:0*ME443545----
TG(14:0/16:0/22:4)TG 14:0/16:0/22:4*ME443616----
TG(14:0/16:0/22:5)TG 14:0/16:0/22:5*ME443636----
TG(14:0/16:1/18:1)TG 14:0/16:1/18:1ME443567----
TG(14:0/16:1/18:2)TG 14:0/16:1/18:2*ME443588----
TG(14:0/16:1/18:3)TG 14:0/16:1/18:3*ME443609----
TG(14:0/16:1/20:0)TG 14:0/16:1/20:0*ME443555----
TG(14:0/18:0/18:0)TG 14:0/18:0/18:0*ME443544----
TG(14:0/18:0/18:1)TG 14:0/18:0/18:1*ME443556----
TG(14:0/18:0/18:2)TG 14:0/18:0/18:2*ME443572----
TG(14:0/18:0/18:3)TG 14:0/18:0/18:3*ME443592----
TG(14:0/18:0/20:0)TG 14:0/18:0/20:0*ME443546----
TG(14:0/18:0/20:1)TG 14:0/18:0/20:1*ME443557----
TG(14:0/18:0/20:2)TG 14:0/18:0/20:2*ME443575----
TG(14:0/18:0/20:3)TG 14:0/18:0/20:3*ME443597----
TG(14:0/18:0/20:4)TG 14:0/18:0/20:4*ME443617----
TG(14:0/18:0/22:4)TG 14:0/18:0/22:4*ME443621----
TG(14:0/18:1/18:1)TG 14:0/18:1/18:1ME443570----
TG(14:0/18:1/18:2)TG 14:0/18:1/18:2*ME443591----
TG(14:0/18:1/18:3)TG 14:0/18:1/18:3*ME443612----
TG(14:0/18:1/20:0)TG 14:0/18:1/20:0*ME443559----
TG(14:0/18:1/20:1)TG 14:0/18:1/20:1*ME443573----
TG(14:0/18:1/20:2)TG 14:0/18:1/20:2*ME443593----
TG(14:0/18:1/20:3)TG 14:0/18:1/20:3*ME443614----
TG(14:0/18:1/20:4)TG 14:0/18:1/20:4*ME443633----
TG(14:0/18:2/18:3)TG 14:0/18:2/18:3ME443630----
TG(14:0/18:2/20:1)TG 14:0/18:2/20:1*ME443594----
TG(14:0/18:2/20:2)TG 14:0/18:2/20:2*ME443615----
TG(14:0/18:2/20:4)TG 14:0/18:2/20:4*ME443649----
TG(14:0/18:2/20:5)TG 14:0/18:2/20:5*ME443668----
TG(14:0/18:2/22:0)TG 14:0/18:2/22:0*ME443579----
TG(14:0/18:2/22:6)TG 14:0/18:2/22:6*ME443682----
TG(14:0/18:3/20:0)TG 14:0/18:3/20:0*ME443595----
TG(14:0/18:3/20:2)TG 14:0/18:3/20:2*ME443635----
TG(14:0/18:3/20:3)TG 14:0/18:3/20:3*ME443651----
TG(14:0/18:3/20:4)TG 14:0/18:3/20:4*ME443667----
TG(14:0/18:3/22:1)TG 14:0/18:3/22:1*ME443623----
TG(14:0/18:3/22:3)TG 14:0/18:3/22:3*ME443657----
TG(14:0/18:4/20:1)TG 14:0/18:4/20:1*ME443637----
TG(14:0/18:4/22:2)TG 14:0/18:4/22:2*ME443653----
TG(14:0/20:0/20:1)TG 14:0/20:0/20:1*ME443560----
TG(14:0/20:0/20:2)TG 14:0/20:0/20:2*ME443580----
TG(14:0/20:0/22:3)TG 14:0/20:0/22:3*ME443604----
TG(14:0/20:1/20:1)TG 14:0/20:1/20:1*ME443576----
TG(14:0/20:1/20:2)TG 14:0/20:1/20:2*ME443599----
TG(14:0/20:1/20:3)TG 14:0/20:1/20:3*ME443622----
TG(14:0/20:1/20:4)TG 14:0/20:1/20:4*ME443642----
TG(14:0/20:1/22:4)TG 14:0/20:1/22:4*ME443646----
TG(14:0/20:1/22:5)TG 14:0/20:1/22:5*ME443665----
TG(14:0/20:2/20:2)TG 14:0/20:2/20:2*ME443619----
TG(14:0/20:2/20:3)TG 14:0/20:2/20:3*ME443639----
TG(14:0/20:2/20:4)TG 14:0/20:2/20:4*ME443658----
TG(14:0/20:2/20:5)TG 14:0/20:2/20:5*ME443673----
TG(14:0/20:2/22:1)TG 14:0/20:2/22:1*ME443602----
TG(14:0/20:2/22:4)TG 14:0/20:2/22:4*ME443661----
TG(14:0/20:2/22:5)TG 14:0/20:2/22:5*ME443679----
TG(14:0/20:2/22:6)TG 14:0/20:2/22:6*ME443688----
TG(14:0/20:3/20:4)TG 14:0/20:3/20:4*ME443672----
TG(14:0/20:3/22:1)TG 14:0/20:3/22:1*ME443627----
TG(14:0/20:3/22:4)TG 14:0/20:3/22:4*ME443675----
TG(14:0/20:4/22:1)TG 14:0/20:4/22:1*ME443647----
TG(14:0/20:4/22:2)TG 14:0/20:4/22:2*ME443662----
TG(14:0/20:4/22:3)TG 14:0/20:4/22:3*ME443676----
TG(14:0/20:4/22:4)TG 14:0/20:4/22:4*ME443683----
TG(14:0/20:5/22:3)TG 14:0/20:5/22:3*ME443684----
TG(14:0/20:5/22:4)TG 14:0/20:5/22:4*ME443690----
TG(14:0/22:3/22:6)TG 14:0/22:3/22:6*ME443692----
TG(14:1/14:1/16:0)TG 14:1/14:1/16:0*ME443564----
TG(14:1/14:1/18:2)TG 14:1/14:1/18:2*ME443607----
TG(14:1/14:1/22:2)TG 14:1/14:1/22:2*ME443611----
TG(14:1/14:1/22:3)TG 14:1/14:1/22:3*ME443629----
TG(14:1/16:0/16:1)TG 14:1/16:0/16:1*ME443566----
TG(14:1/16:1/18:1)TG 14:1/16:1/18:1ME443587----
TG(14:1/16:1/18:3)TG 14:1/16:1/18:3*ME443628----
TG(16:0/16:0/16:1)TG 16:0/16:0/16:1ME443553----
TG(16:0/16:0/18:0)TG 16:0/16:0/18:0ME443543----
TG(16:0/16:0/18:1)TG 16:0/16:0/18:1ME443554----
TG(16:0/16:0/22:3)TG 16:0/16:0/22:3*ME443598----
TG(16:0/16:0/22:6)TG 16:0/16:0/22:6ME443654----
TG(16:0/16:1/16:1)TG 16:0/16:1/16:1ME443568----
TG(16:0/16:1/18:1)TG 16:0/16:1/18:1ME443571----
TG(16:0/16:1/18:2)TG 16:0/16:1/18:2ME443590----
TG(16:0/16:1/18:3)TG 16:0/16:1/18:3ME443613----
TG(16:0/16:1/18:4)TG 16:0/16:1/18:4*ME443631----
TG(16:0/16:1/20:0)TG 16:0/16:1/20:0*ME443558----
TG(16:0/16:1/20:1)TG 16:0/16:1/20:1*ME443574----
TG(16:0/16:1/20:2)TG 16:0/16:1/20:2*ME443596----
TG(16:0/16:1/20:4)TG 16:0/16:1/20:4ME443634----
TG(16:0/16:1/20:5)TG 16:0/16:1/20:5ME443652----
TG(16:0/16:1/22:0)TG 16:0/16:1/22:0*ME443561----
TG(16:0/16:1/22:3)TG 16:0/16:1/22:3*ME443620----
TG(16:0/16:1/22:4)TG 16:0/16:1/22:4*ME443641----
TG(16:0/16:1/22:5)TG 16:0/16:1/22:5*ME443659----
TG(16:0/16:1/22:6)TG 16:0/16:1/22:6ME443674----
TG(16:0/18:0/22:3)TG 16:0/18:0/22:3*ME443601----
TG(16:0/18:1/22:6)TG 16:0/18:1/22:6ME443677----
TG(16:0/18:2/22:0)TG 16:0/18:2/22:0ME443581----
TG(16:0/18:2/22:3)TG 16:0/18:2/22:3*ME443645----
TG(16:0/18:3/22:3)TG 16:0/18:3/22:3*ME443664----
TG(16:0/18:3/22:5)TG 16:0/18:3/22:5*ME443687----
TG(16:0/20:4/22:6)TG 16:0/20:4/22:6ME443697----
TG(16:1/16:1/18:2)TG 16:1/16:1/18:2ME443610----
TG(16:1/16:1/20:3)TG 16:1/16:1/20:3*ME443632----
TG(16:1/16:1/20:5)TG 16:1/16:1/20:5ME443669----
TG(16:1/18:1/18:4)TG 16:1/18:1/18:4*ME443650----
TG(16:1/18:1/20:0)TG 16:1/18:1/20:0*ME443577----
TG(16:1/20:1/20:2)TG 16:1/20:1/20:2*ME443625----
TG(16:1/20:4/20:4)TG 16:1/20:4/20:4*ME443689----
TG(18:0/18:0/18:0)TG 18:0/18:0/18:0ME443547----
TG(18:0/18:0/18:1)TG 18:0/18:0/18:1ME443562----
TG(18:0/18:1/18:1)TG 18:0/18:1/18:1ME443578----
TG(18:0/18:1/18:2)TG 18:0/18:1/18:2ME443600----
TG(18:0/18:1/22:6)TG 18:0/18:1/22:6ME443680----
TG(18:0/18:2/18:3)TG 18:0/18:2/18:3ME443640----
TG(18:0/18:3/20:1)TG 18:0/18:3/20:1*ME443626----
TG(18:0/18:3/20:2)TG 18:0/18:3/20:2*ME443648----
TG(18:0/18:3/20:3)TG 18:0/18:3/20:3*ME443666----
TG(18:1/18:1/18:2)TG 18:1/18:1/18:2ME443618----
TG(18:1/18:1/20:0)TG 18:1/18:1/20:0ME443582----
TG(18:1/18:2/18:2)TG 18:1/18:2/18:2ME443638----
TG(18:1/18:2/18:3)TG 18:1/18:2/18:3ME443656----
TG(18:1/18:2/20:0)TG 18:1/18:2/20:0ME443603----
TG(18:1/18:3/18:3)TG 18:1/18:3/18:3*ME443671----
TG(18:1/18:3/20:0)TG 18:1/18:3/20:0*ME443624----
TG(18:1/18:3/20:1)TG 18:1/18:3/20:1*ME443644----
TG(18:1/18:3/20:2)TG 18:1/18:3/20:2*ME443663----
TG(18:1/18:3/20:4)TG 18:1/18:3/20:4ME443685----
TG(18:1/18:3/22:5)TG 18:1/18:3/22:5*ME443693----
TG(18:1/20:1/20:1)TG 18:1/20:1/20:1ME443606----
TG(18:2/18:2/18:2)TG 18:2/18:2/18:2ME443655----
TG(18:2/18:2/18:3)TG 18:2/18:2/18:3ME443670----
TG(18:2/18:3/18:3)TG 18:2/18:3/18:3ME443681----
TG(18:2/18:3/20:0)TG 18:2/18:3/20:0*ME443643----
TG(18:2/18:3/20:1)TG 18:2/18:3/20:1ME443660----
TG(18:2/18:3/20:2)TG 18:2/18:3/20:2*ME443678----
TG(18:2/18:3/20:3)TG 18:2/18:3/20:3*ME443686----
TG(18:2/18:3/20:4)TG 18:2/18:3/20:4ME443691----
TG(18:2/18:3/20:5)TG 18:2/18:3/20:5ME443695----
TG(18:2/18:3/22:5)TG 18:2/18:3/22:5*ME443696----
TG(18:2/18:4/18:4)TG 18:2/18:4/18:4*ME443694----
TG(18:2/20:0/20:1)TG 18:2/20:0/20:1*ME443605----
Tiglyl-carnitineCAR 4:1;2MeME443264----


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
11,12-EET11,12-EpETrEME443703----
11(S)-HETE11S-HETEME443705----
12,13-EpOME12(13)-EpOMEME443698----
(±)12-HETE12-HETEME443704----
15-oxoETE15-Oxo-ETEME443702----
9,10-DiHOME9,10-DiHOMEME443701----
9,10-EpOME9(10)-EpOMEME443699----
FFA(10:0)Capric acidME443716----
FFA(12:0)Lauric acidME443717----
FFA(13:0)Tridecylic acidME443718----
FFA(14:0)Myristic acidME443719----
FFA(15:0)Pentadecylic acidME443720----
FFA(16:0)Palmitic acidME443721----
FFA(16:1)Hexadecenoic acidME443724----
FFA(16:2)Hexadecadienoic acidME443728----
FFA(17:0)Margaric acidME443722----
FFA(17:1)Heptadecenoic acidME443725----
FFA(18:0)Stearic acidME443723----
FFA(18:1)Octadecenoic acidME443726----
FFA(18:2)Octadecadienoic acidME443729----
FFA(18:3)Octadecatrienoic acidME443731----
FFA(20:1)Heneicosenoic acidME443727----
FFA(20:2)Eicosadienoic acidME443730----
FFA(20:3)Eicosatrienoic acidME443732----
FFA(20:4)Eicosatetraenoic acidME443700----
FFA(20:5)Eicosapentaenoic acidME443735----
FFA(22:4)Docosatetraenoic acidME443733----
FFA(22:5)Docosapentaenoic acidME443736----
FFA(22:6)Docosahexaenoic acidME443706----
FFA(24:4)Tetracosatetraenoic acidME443734----
FFA(24:5)Tetracosapentaenoic acidME443737----
FFA(24:6)Tetracosahexaenoic acidME443738----
FFA(4:0)Butyric acidME443712----
FFA(5:0)Valeric acidME443713----
FFA(6:0)Caproic acidME443714----
FFA(8:0)Caprylic acidME443715----
LPA(0:0/16:0)LPA 0:0/16:0ME443739----
LPC(16:0/0:0)LPC 16:0/0:0ME443740----
LPC(18:0/0:0)LPC 18:0/0:0ME443741----
LPC(20:3/0:0)LPC 20:3/0:0ME443742----
LPC(20:4/0:0)LPC 20:4/0:0ME443743----
LPE(0:0/14:0)LPE 0:0/14:0ME443744----
LPE(0:0/18:1)LPE 0:0/18:1ME443745----
LPE(0:0/18:3)LPE 0:0/18:3*ME443748----
LPE(0:0/20:1)LPE 0:0/20:1*ME443746----
LPE(0:0/20:2)LPE 0:0/20:2*ME443747----
LPI(14:1/0:0)LPI 14:1/0:0*ME443749----
LXB4Lipoxin B4ME443708----
PA(18:1/20:0)PA 18:1/20:0*ME443750----
PC(14:0/18:1)PC 14:0/18:1ME443752----
PC(16:0/14:0)PC 16:0/14:0ME443751----
PC(16:0/18:3)PC 16:0/18:3ME443759----
PC(16:0/20:2)PC 16:0/20:2ME443757----
PC(16:0/20:3)PC 16:0/20:3ME443760----
PC(16:1/18:0)PC 16:1/18:0*ME443754----
PC(16:1/18:1)PC 16:1/18:1ME443756----
PC(18:0/14:1)PC 18:0/14:1ME443753----
PC(18:0/18:1)PC 18:0/18:1ME443755----
PC(18:0/18:3)PC 18:0/18:3ME443761----
PC(18:0/20:2)PC 18:0/20:2ME443758----
PC(18:1/20:5)PC 18:1/20:5ME443768----
PC(18:2/20:2)PC 18:2/20:2ME443763----
PC(18:2/20:3)PC 18:2/20:3ME443767----
PC(18:2/20:5)PC 18:2/20:5ME443769----
PC(20:1/18:2)PC 20:1/18:2*ME443762----
PC(20:3/18:1)PC 20:3/18:1*ME443764----
PC(20:4/16:1)PC 20:4/16:1*ME443765----
PC(20:5/18:0)PC 20:5/18:0*ME443766----
PE(14:0/18:1)PE 14:0/18:1ME443772----
PE(16:0/18:0)PE 16:0/18:0ME443770----
PE(16:0/20:3)PE 16:0/20:3ME443781----
PE(16:0/20:5)PE 16:0/20:5ME443786----
PE(16:0/22:4)PE 16:0/22:4ME443784----
PE(16:1/16:0)PE 16:1/16:0*ME443771----
PE(16:1/18:2)PE 16:1/18:2ME443779----
PE(18:0/18:3)PE 18:0/18:3ME443780----
PE(18:0/20:5)PE 18:0/20:5ME443789----
PE(18:1/16:0)PE 18:1/16:0*ME443773----
PE(18:1/16:1)PE 18:1/16:1ME443776----
PE(18:1/20:4)PE 18:1/20:4ME443788----
PE(18:2/16:0)PE 18:2/16:0*ME443777----
PE(18:2/18:2)PE 18:2/18:2ME443782----
PE(18:2/18:3)PE 18:2/18:3ME443787----
PE(18:2/20:4)PE 18:2/20:4ME443792----
PE(18:3/18:1)PE 18:3/18:1*ME443783----
PE(20:1/16:0)PE 20:1/16:0*ME443774----
PE(20:2/16:0)PE 20:2/16:0*ME443778----
PE(20:2/20:4)PE 20:2/20:4*ME443793----
PE(20:4/18:0)PE 20:4/18:0*ME443785----
PE(20:5/18:1)PE 20:5/18:1*ME443790----
PE(22:0/18:1)PE 22:0/18:1*ME443775----
PE(22:6/16:0)PE 22:6/16:0*ME443791----
PE(22:6/18:0)PE 22:6/18:0*ME443794----
PG(16:0/18:1)PG 16:0/18:1ME443795----
PG(16:0/20:2)PG 16:0/20:2ME443800----
PG(18:0/18:1)PG 18:0/18:1ME443796----
PG(18:1/16:1)PG 18:1/16:1ME443797----
PG(18:2/16:0)PG 18:2/16:0ME443798----
PG(18:2/18:0)PG 18:2/18:0ME443799----
PGE2PGE2ME443709----
PGE3PGE3ME443707----
PI(16:0/16:0)PI 16:0/16:0ME443801----
PI(16:0/20:2)PI 16:0/20:2ME443802----
PI(16:0/22:4)PI 16:0/22:4ME443806----
PI(16:0/22:6)PI 16:0/22:6ME443809----
PI(18:0/20:4)PI 18:0/20:4ME443807----
PI(18:1/20:4)PI 18:1/20:4ME443808----
PI(18:2/18:0)PI 18:2/18:0*ME443803----
PI(20:3/18:0)PI 20:3/18:0*ME443804----
PI(20:4/16:0)PI 20:4/16:0*ME443805----
PS(12:0/20:3)PS 12:0/20:3*ME443813----
PS(16:0/20:4)PS 16:0/20:4ME443816----
PS(18:0/18:2)PS 18:0/18:2ME443811----
PS(18:0/20:4)PS 18:0/20:4ME443817----
PS(18:1/18:0)PS 18:1/18:0*ME443810----
PS(18:1/20:4)PS 18:1/20:4ME443819----
PS(18:1/22:6)PS 18:1/22:6ME443822----
PS(18:2/18:2)PS 18:2/18:2ME443815----
PS(18:2/20:0)PS 18:2/20:0*ME443812----
PS(20:3/18:0)PS 20:3/18:0*ME443814----
PS(20:4/18:2)PS 20:4/18:2*ME443820----
PS(20:4/20:0)PS 20:4/20:0*ME443818----
PS(22:6/16:0)PS 22:6/16:0*ME443821----
TXB2TXB2ME443711----
TxB3TXB3ME443710----


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