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Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME725314-C000417.38-
AsparagineAsparagineME725315-C001527.54-
Aspartic AcidAspartic acidME725316-C000496.95-
GlutamineGlutamineME725317-C000647.68-
N-Acetylaspartic AcidN-Acetylaspartic acidME725318-C010426.27-
UreaUreaME725319-C000862.02-
OrnithineOrnithineME725320-C0007716.82-
4-Acetamidobutanoic Acid4-Acetamidobutanoic acidME725321-C029467.17-
CitrullineCitrullineME725322-C003277.65-
Argininosuccinic AcidArgininosuccinic acidME725323-C034068.38-
Proline BetaineProline betaineME725324-C101729.25-
MethionineMethionineME725325-C000735.79-
5'-Methylthioadenosine (MTA)5'-MethylthioadenosineME725326-C001701.76-
CholineCholineME725327-C0011421.09-
SerineSerineME725328-C000657.27-
Guanidinoacetic AcidGuanidoacetic acidME725329-C005817.47-
BetaineBetaineME725330-C007198.98-
ThreonineThreonineME725331-C001886.93-
CreatineCreatineME725332-C003008.26-
4-Imidazoleacetic AcidImidazoleacetic acidME725333-C028357.2-
Urocanic AcidUrocanic acidME725334-C007854.88-
HistidineHistidineME725335-C001359.25-
3-Methylhistidine3-MethylhistidineME725336-C0115210.81-
PhenylalaninePhenylalanineME725337-C000795.39-
Hippuric AcidHippuric acidME725338-C015861.82-
2-PhenethylaminePhenylethylamineME725339-C053328.07-
Phenylacetic AcidPhenylacetic acidME725340-C070861.51-
TryptophanTryptophanME725341-C000785.19-
N-AcetylserotoninN-AcetylserotoninME725342-C009781.65-
SalsolinolSalsolinolME725343-C096428.37-
4-Hydroxyphenylpyruvic Acid4-Hydroxyphenylpyruvic acidME725344-C011792.95-
TyrosineTyrosineME725345-C000825.54-
NormetanephrineNormetanephrineME725346-C055897.57-
ValineValineME725347-C001836.49-
SpermidineSpermidineME725348-C0031521.01-
AcetyCoA-ME725349-C000248.05-
Sedoheptulose 7-PhosphateSedoheptulose 7-phosphateME725350-C053828.09-
AdenineAdenineME725351-C001473.21-
HypoxanthineHypoxanthineME725352-C002622.32-
GuanineGuanineME725353-C002425.8-
AllantoinAllantoinME725354-C015511.67-
5'-Deoxyadenosine5'-DeoxyadenosineME725355-C051982.25-
AdenosineAdenosineME725356-C002122.44-
2'-O-Methylinosine-ME725357--2.29-
AIRAIRME725358-C033737.9-
AICA ribosideAICARME725359--2.32-
Adp-RiboseADP-riboseME725360-C003017.61-
CytosineCytosineME725361-C003803.98-
UracilUracilME725362-C001061.63-
"5,6-Dihydrouracil"DihydrouracilME725363-C004291.79-
CytidineCytidineME725364-C004754.16-
3-Aminoisobutyric Acid3-Aminoisobutanoic acidME725365--7.94-
CTPCTPME725366-C000638.31-
1-Methylguanine1-MethylguanineME725367-C041523.45-
RibothymidineRibothymidineME725368-C167447.22-
3-Methyladenosine-ME725369--2.18-
1-Methyladenosine1-MethyladenosineME725370-C024942.18-
UDP-GlucoseUDP-glucoseME725371-C000298.1-
GDP-GlucoseGDP-glucoseME725372-C003947.93-
UDP-N-acetygalactosamine-ME725373-C002037.78-
NicotinamideNiacinamideME725374-C001531.76-
Trigonelline/N-Methylnicotinate-ME725375-C010049-
Nicotinamide N-OxideNicotinamide N-oxideME725376--2.37-
"2,3-Pyridinedicarboxylic Acid/Quinolinic Acid"-ME725377-C037227.37-
Nicotinamide MononucleotideNicotinamide ribotideME725378-C0045514.49-
1-Methylnicotinamide1-Methyl nicotinamideME725379-C0291821.12-
N1-Methy2-Pyridone-5-Carboxamide(2-PY)-ME725380-C058422.5-
5-Oxo-ProlinePyroglutamic acidME725381-C018794.77-
GSHGlutathioneME725382-C000517.96-
GSSGOxidized glutathioneME725383-C001278.09-
Riboflavin/Vit B2RiboflavinME725384-C002552.07-
Flavin Adenine Dinucleotide (Fad)FADME725385-C000168.06-
PyridoxinePyridoxineME725386-C003145.16-
Phylloquinone?PhylloquinoneME725387-C020591.11-
Ergocalciferol (Vit D2)Vitamin D2ME725388-C054411.18-
Folic AcidFolic acidME725389-C005048.07-
Stachyose HydrateStachyoseME725390-C016138.24-
Deoxycorticosterone AcetateDeoxycorticosterone acetateME725391-C145541.13-
DesmosterolDesmosterolME725392-C018021.2-
ChenodeoxycholateChenodeoxycholic acidME725393-C025281.06-
25-Hydroxycholesterol25-HydroxycholesterolME725394-C155191.33-
Deoxycarnitine3-DehydroxycarnitineME725395-C0118115.63-
CarnitineCarnitineME725396-C0031812.41-
AcetylcarnitineCAR 2:0ME725397-C0257111.87-
PropionylcarnitineCAR 3:0ME725398-C0301710.98-
ButyrylcarnitineCAR 4:0ME725399-C0286210.2-
ValerylcarnitineCAR 5:0ME725400--9.6-
HexanoylcarnitineCAR 6:0ME725401--9.04-
OctanoylcarnitineCAR 8:0ME725402-C028388.44-
Valeric AcidValeric acidME725403-C008031.26-
Caproic AcidCaproic acidME725404-C015851.24-
Capric AcidCapric acidME725405-C015711.24-
Myristic AcidMyristic acidME725406-C064241.18-
Palmitoleic AcidPalmitoleic acidME725407-C083621.7-
Palmitic AcidPalmitic acidME725408-C002491.15-
Gamma-Linolenic Acidgamma-Linolenic acidME725409-C064261.51-
Retinoic AcidRetinoic acidME725410-C007771.19-
Docosahexaenoic AcidDocosahexaenoic acidME725411-C064291.39-
Arachidic AcidArachidic acidME725412-C064251.11-
2-Linoleoyl GlycerolMG 18:2ME725413--1.07-
Docosatrienoic Acid (22:3 N-3)Docosatrienoic acidME725414-C165341.32-
Eicosapentaenoic Acid (20:5 N-3)EPAME725415-C064281.24-
Eicosadienoic Acid (20:2 N-6)11Z,14Z-Eicosadienoic acidME725416-C165251.32-
Eicosatrienoic Acid (20:3 N-3)Eicosatrienoic acidME725417-C165221.39-
Alpha-Linolenic Acid (18:3 N-3)alpha-Linolenic acidME725418-C064271.15-
Dihomo-Gamma-Linolenic AcidDihomo-gamma-linolenic acidME725419-C032421.39-
Mead Acid (20:3 N-9)ETrE(5Z,8Z,11Z)ME725420--1.39-
Stearidonic AcidStearidonic acidME725421-C163001.18-
9 Retinoic Acid-ME725422-C154931.52-
13 Retinoic Acid-ME725423-D003481.17-
Altrans RetinalRetinalME725424-C003761.22-
11-Dodecenoic Acid-ME725425--1.27-
8(Z)-Eicosenoic Acid-ME725426--1.29-
"12(Z),15(Z)-Heneicosadienoic Acid"-ME725427--1.1-
12-Tridecenoic Acid-ME725428--1.79-
9(E)-Tetradecenoic Acid-ME725429--1.93-
10(E)-Heptadecenoic Acid-ME725430--1.71-
(11E)-Octadecenoic acidtrans-Vaccenic acidME725431--1.43-
"10(Z),13(Z)-Nonadecadienoic Acid"-ME725432--1.11-
"5,8,11-Eicosatriynoic Acid"5,8,11-Eicosatriynoic acidME725433--1.52-
"5(Z), 8(Z)-Eicosadienoic Acid"-ME725434--1.32-
11(E)-Eicosenoic Acidtrans-Gondoic acidME725435-C165261.3-
10(Z)-Heptadecenoic Acid10Z-Heptadecenoic acidME725436--1.71-
1-Myristoylglycerol-ME725437--1.1-
"1,3-Dipalmitoylglycerol"-ME725438--1.06-
1-Hexadecy2-Arachidonoyglycerol-ME725439--1.19-
LysoPE(18:2)LPE 18:2ME725440--6.49-
PC(34:2)PC 34:2ME725441-C001577.35-
Lyso-PAF C16LPC O-16:0ME725442--6.78-
ArachidonoyPAF-ME725443--7.35-
C8 CeramideCer 18:1;O2/8:0ME725444--1.12-
C2 Dihydroceramide-ME725445--1.17-
Retinyl PalmitateAll-trans-retinyl palmitateME725446-C025881.04-
Geranyl PyrophosphateGeranyl diphosphateME725447-C003411.8-
CortisoneCortisoneME725448-C007621.18-
LanosterolLanosterolME725449-C017241.17-
Cholesteryl Palmitic AcidCE 16:0ME725450-C112511.12-
SqualeneSqualeneME725451-C007511.14-
Cholesteryl AcetateCholesteryl acetateME725452-C025301.11-
"Anandamide (20:3,N-6)"-ME725453-C138281.15-
"Anandamide (18:2,N-6)"Arachidonoyl-EAME725454--1.12-
"Anandamide (20:4, N-6)"Arachidonoyl-EAME725455-C116951.17-
Oleoyl EthanolamideOleoyl-EAME725456--1.12-
Palmitoyl EthanolamidePalmitoyl-EAME725457-C165121.16-
Palmitoyl Dopamine-ME725458--1.12-
Noladin-ME725459--1.41-
OleamideOleamideME725460-C196701.09-
5-Aminolevulinic Acid5-Amino-levulinic acidME725461-C0043011.1-
BilirubinBilirubinME725462-C004861.08-
CaffeineCaffeineME725463-C074811.49-
TheobromineTheobromineME725464-C074801.61-
Hydroxycotininetrans-3-HydroxycotinineME725465--2.65-
"2,6-Diaminopimelic Acid"2,6-Diaminopimelic acidME725466-C006669.65-
1-Aminocyclopropanecarboxylic Acid1-Aminocyclopropanecarboxylic acidME725467-C012346.94-
Hydrocinnamic AcidHydrocinnamic acidME725468-C056291.42-
Nonanoic AcidPelargonic acidME725469-C016011.24-
TrimyristinTG 14:0/14:0/14:0ME725470--1.14-
Nervonic AcidNervonic acidME725471-C083231.89-
2-Pyridylacetic Acid3-Pyridylacetic acidME725472--6.79-
2-Aminoisobutyric AcidAminoisobutyric acidME725473-C036656.95-
2-Acetamido-2-Deoxy-Beta-Glucosylamine-ME725474-C012398.29-
Methanandamide-ME725475--1.37-
Methoprene Acid-ME725476--1.21-
Mead EthanolamideMead acid-EAME725477--1.15-
Misoprostol-ME725478-C072271.28-


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Glutamic AcidGlutamic acidME725479-C000257.55-
CreatinineCreatinineME725480-C007916.84-
ProlineProlineME725481-C001488.11-
N-FormylmethionineN-FormylmethionineME725482-C031451.9-
2-Hydroxybutyric acid2-Hydroxybutyric acidME725483-C059841.87-
Methylglyoxal?PyruvaldehydeME725484-C005462.29-
5-Aminopentanoate5-Aminopentanoic acidME725485-C004316.49-
Pipecolinic AcidPipecolic acidME725486-C004087.58-
Glutaric AcidGlutaric acidME725487-C004897.52-
LysineLysineME725488-C0004721.16-
Phenylpyruvic AcidPhenylpyruvic acidME725489-C001661.48-
Melilotate3-(2-Hydroxyphenyl)propanoic acidME725490-C011981.32-
PhenylacetylglycinePhenylacetylglycineME725491-C055981.61-
N-AcetylphenylalanineN-AcetylphenylalanineME725492-C035191.92-
2-Hydroxyphenylacetic Acid2-Hydroxyphenylacetic acidME725493-C019831.12-
IndoleIndoleME725494-C004631.32-
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME725495-C006321.75-
Indole-3-Acetamide1H-Indole-3-acetamideME725496-C026936.85-
Kynurenic AcidKynurenic acidME725497-C017171.87-
5-Hydroxyindoleacetic Acid5-Hydroxyindoleacetic acidME725498-C056351.79-
Indoxyl SulfateIndoxyl sulfateME725499--0.64-
3-Hydroxyphenylacetic Acid3-Hydroxyphenylacetic acidME725500-C055931.12-
Gentisic AcidGentisic acidME725501-C006280.98-
Homovanillic AcidHomovanillic acidME725502-C055821.48-
4-Hydroxyphenyllactate4-Hydroxyphenyllactic acidME725503-C036721.49-
4-Hydroxy-3-MethoxyphenylglycolVanylglycolME725504-C055941.24-
Vanillylmandelic AcidVanillylmandelic acidME725505-C055841.49-
Methylmalonic AcidMethylmalonic acidME725506-C021700.94-
3-Hydroxymethylglutaric Acid3-Hydroxymethylglutaric acidME725507-C037616.73-
Citraconic AcidCitraconic acidME725508-C022261.79-
3-Methy2-Oxopentanoic Acid-ME725509-C006711.21-
KetoleucineKetoleucineME725510-C002331.21-
LeucineLeucineME725511-C001235.8-
IsoleucineIsoleucineME725512-C004076.02-
N-AcetylmethionineN-AcetylmethionineME725513-C027121.78-
Glycosylthreonine-ME725514--1.31-
Glycosylcysteine?-ME725515--3.18-
Glycosylaspartic Acid-ME725516--8.01-
Glycosylarginine-ME725517--1.13-
TaurineTaurineME725518-C002454.39-
Fumaric AcidFumaric acidME725519-C001226.72-
Succinic AcidSuccinic acidME725520-C000426.79-
Malic AcidMalic acidME725521-C001496.61-
Oxoglutaric Acid2-Oxoglutaric acidME725522-C000265.6-
Aconitic Acidcis-Aconitic acidME725523-C004177.35-
Citric AcidCitric acidME725524-C001587.96-
GlucoseGlucoseME725525--2.8-
Lactic AcidLactic acidME725526-C001862.29-
PyruvatePyruvic acidME725527-C000221.57-
Pantothenic AcidPantothenic acidME725528-C008642.92-
RiboseRiboseME725529-C083531.94-
PurinePurineME725530-C155871.97-
XanthineXanthineME725531-C003851.75-
Uric AcidUric acidME725532-C003662.55-
5-Hydroxyisourate5-Hydroxyisouric acidME725533-C118211.36-
GAR riboside-ME725534--6.12-
ThymidineThymidineME725535-C002141.17-
UridineUridineME725536-C002991.62-
dTMPdTMPME725537-C003647.65-
2-Methyladenosine2'-O-MethyladenosineME725538-C047791.81-
GDP-MannoseGDP-mannoseME725539-C000967.92-
MaleamateMaleamateME725540-C015961.92-
Maleic AcidMaleic acidME725541-C013840.96-
Nicotinic Acid (Vit B3)?Nicotinic acidME725542-C002531.65-
N1-Methy4-Pyridone-5-Carboxamide(4-PY)-ME725543-C058432.7-
Nicotinamide RibosideNicotinamide ribosideME725544-C058416.87-
Dehydroascorbic AcidDehydroascorbic acidME725545-C054221.26-
GlucuronolactoneGlucuronolactoneME725546-C026705.04-
N-AcetycysteineN-AcetylcysteineME725547-C068096.41-
4-Pyridoxic Acid4-Pyridoxic acidME725548-C008471.5-
Menaquinone (Vit K2)Vitamin K2ME725549-C008281.08-
RibitolRibitolME725550-C004742.71-
FructoseFructoseME725551-C015822.3-
SorbitolSorbitolME725552-C007493.31-
Myo-InositolMyo-inositolME725553-C001373.8-
Lithocholic AcidLithocholic acidME725554-C039901.22-
Taurolithocholic AcidTaurolithocholic acidME725555-C025921.35-
TaurodeoxycholateTaurodeoxycholic acidME725556-C054631.19-
4-Hydroxynonenal4-HydroxynonenalME725557--1.21-
4-Hydroxynonenal Glutathione-ME725558--1.57-
Archidonoyl GlycineN-Arachidonoyl glycineME725559--1.12-
MevalolactoneMevalolactoneME725560--1.22-
Heptanoic AcidHeptylic acidME725561-C177141.6-
Ethylmalonic AcidEthylmalonic acidME725562--7.52-
Suberic AcidSuberic acidME725563-C082786.85-
"1,9-Nonanedioate"Azelaic acidME725564-C082616.46-
10-Hydroxydecanoate10-Hydroxydecanoic acidME725565-C027741.22-
Lauric AcidLauric acidME725566-C026791.14-
Heptadecanoic AcidMargaric acidME725567--1.11-
Oleic AcidOleic acidME725568-C007121.09-
Stearic AcidStearic acidME725569-C015301.1-
Arachidonic AcidArachidonic acidME725570-C002191.08-
Leukotriene B4LTB4ME725571-C021651.22-
"Leukotoxin B (12,13-Eode)"alpha-12(13)-EpODEME725572-C083681.13-
"Leukotoxin A (9,10-Eode)"9,10-EpODEME725573--1.14-
8-Epi-Prostaglandin F2A15-F2t-IsoPME725574-C138091.29-
Thromboxane B2TXB2ME725575-C059631.33-
"2,3-Dinor-Thromboxane B2"2,3-Dinor-TXB2ME725576--1.92-
D12-Prostaglandin J2PGJ2ME725577-C059581.49-
11-Dehydro-Thromboxane B211-Dehydro-TXB2ME725578-C059641.12-
Ricinoleic AcidRicinoleic acidME725579-C083651.17-
Arotinoid Acid-ME725580-C156341.12-
"5,8,11,14-Eicosatetraynoic Acid"-ME725581--0.66-
2-Hydroxymyristic Acid2-Hydroxymyristic acidME725582--1.13-
(+/-)9-HODE9-HODEME725583--1.14-
(+/-)13-HODE13-HODEME725584--1.14-
13(S)-HODE13S-HODEME725585-C147621.14-
13(S)-HPODE13S-HpODEME725586-C047171.37-
"15-Deoxy-D12,14-Prostaglandin J2"-ME725587-C147171.44-
9(S)-HPODE9S-HpODEME725588-C148271.37-
9(S)-HODE9S-HODEME725589-C147671.14-
"Phosphatidic Acid, Dipalmitoyl"-ME725590--1.07-
1-OleoylglycerolMG 18:1(9Z)/0:0/0:0ME725591--1.08-
2-ArachidonoylglycerolMG 20:4ME725592-C138561.22-
Beta-Carotenebeta-CaroteneME725593-C020941.21-
Diethyl Oxalpropionate4-Heptenal diethyl acetalME725594-C040677.15-
Estradio17AlphaEstradiol-17alphaME725595--1.29-
CorticosteroneCorticosteroneME725596-C021401.14-
Cortexolone11-DeoxycortisolME725597-C054881.14-
CortisolCortisolME725598-C007351.19-
Farnesyl DiphosphateFarnesyl diphosphateME725599-C004880.65-
Cholesterol SulfateCholesterol sulfateME725600-C180430.62-
5Allotetrahydrocortisol-ME725601--1.25-
Adrenoyl EthanolamideAdrenoyl-EAME725602-C138291.07-
Arachidonyol DopamineN-Arachidonoyl dopamineME725603-C122711.09-
Glyceric AcidGlyceric acidME725604-C002582.97-
4-Hydroxy-2-Oxoglutaric Acid4-Hydroxy-2-oxoglutaric acidME725605-C011271.4-
Methyl AcetoacetateMethylacetoacetic acidME725606--0.72-
DiacetylDiacetylME725607-C007411.69-
Caffeic AcidCaffeic acidME725608-C014811.26-
N-Phenylacetyl Pyroglutamic Acid-ME725609--0.61-
ResorcinolResorcinolME725610-C120641.12-
3-Amino-5-Hydroxybenzoic Acid3-Amino-5-hydroxybenzoic acidME725611--1.75-
"2,4-Dihydroxypteridine"LumazineME725612-C032121.82-
LyxoseLyxoseME725613-C004761.94-
2-MethylmalateCitramalic acidME725614-C008151.74-
Shikimic AcidShikimic acidME725615-C004935.28-
3-Dehydroshikimic Acid3-DehydroshikimateME725616-C026371.35-
Benzoic AcidBenzoic acidME725617-C001801.1-
Benzyl AlcoholBenzyl alcoholME725618-C005561.17-
Hydrocortisone Acetate?Cortisol 21-acetateME725619-C028211.23-
"2',4'-Dihydroxyacetophenone"2',4'-DihydroxyacetophenoneME725620-C036631.12-
XyloseXyloseME725621-C013941.94-
Succinic AnhydrideSuccinic anhydrideME725622-C195241.42-
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME725623-C030671.65-
"2,3-Diaminopropionic Acid"2,3-Diaminopropionic acidME725624-C034013.03-
6-Methylthiopurine6-MethylthiopurineME725625-C166141.65-
17-Phenytrinor-Prostaglandin E2-ME725626--1.15-
"Win 55,212-2"-ME725627--0.94-
Acetyfarnesycysteine-ME725628--1.09-
AGGC (N-AcetyS-geranylgeranycysteine )-ME725629--1.11-
2-Fluoropalmitic Acid-ME725630--1.12-
Farnesylthioacetic Acid-ME725631--0.66-
4-Hydroxyphenylretinamide-ME725632--1.32-
Diindolylmethane-ME725633--1.85-


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