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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10C13-Arginine-ME545330----
10C13-Phenylalanine-ME545318----
10C13-Tyrosine-ME545335----
11C13-Uridine-ME545360----
13C13-TryptophanTryptophanME545348----
1/3-Methylhistidine3-MethylhistidineME545313-C01152--
1,7-DimethylxanthineParaxanthineME545324-C13747--
1-Methyladenosine1-MethyladenosineME545371-C02494--
1-MethylguanidineMethylguanidineME545223-C02294--
1-Methylhistamine1-MethylhistamineME545260-C05127--
1-Methylimidazole AcetateMethylimidazoleacetic acidME545285-C05828--
1-Methylnicotinamide1-Methyl nicotinamideME545277-C02918--
2,3-Diphosphoglyceric Acid2,3-Diphosphoglyceric acidME545366-C01159--
2-Aminoisobutyric AcidAminoisobutyric acidME545238-C03665--
2C13-Choline-ME545239----
2C13-Glutamic acid-ME545295----
2C13-Tyrosine-ME545328----
2'-DeoxycytidineDeoxycytidineME545350-C00881--
2'-DeoxyuridineDeoxyuridineME545351-C00526--
3-Aminoisobutyrate3-Aminoisobutanoic acidME545234-C03284--
3C13-Glycine-ME545226----
3-Indolebutyric Acid3-Indolebutyric acidME545342-C11284--
4-Aminobenzoic Acidp-Aminobenzoic acidME545279-C00568--
4C13-Alanine-ME545231----
4C13-Serine-ME545241----
4-Guanidinobutanoate4-Guanidinobutanoic acidME545288-C01035--
5,6-DihydrothymineDihydrothymineME545262-C00906--
5,6-DihydrouracilDihydrouracilME545246-C00429--
5-Aminovaleric Acid5-Aminopentanoic acidME545249-C00431--
5C13-Aspartic Acid-ME545281----
5C13-Threonine-ME545258----
5-Methylcytidine5-MethylcytidineME545362-N/A--
5'-Methylthioadenosine5'-MethylthioadenosineME545377-C00170--
6C13-Asparagine-ME545282----
6C13-Glutamic acid-ME545299----
6C13-Methionine-ME545301----
6C13-Proline-ME545255----
6C13-Valine-ME545257----
6-MethyladenosineN6-MethyladenosineME545372-N/A--
7C13-Glutamine-ME545298----
7C13-iso-Leucine-ME545284----
7C13-Leucine-ME545283----
7-Methylguanine7-MethylguanineME545309-C02242--
8C13-Cystine-ME545358----
8C13-Lysine-ME545300----
9C13-Histidine-ME545306----
AcetylcarnitineCAR 2:0ME545343-C02571--
AcetylcholineAcetylcholineME545289-C01996--
AdenosineAdenosineME545368-C00212--
AdenosylcobalaminAdenosylcobalaminME545398-C00194--
AgmatineAgmatineME545265-C00179--
AlanineAlanineME545229-C00041--
AminoacetoneAminoacetoneME545222-C01888--
Aminolevulinate5-Amino-levulinic acidME545269-C00430--
AnserineAnserineME545353-C01262--
ArginineArginineME545316-C00062--
ArgininosuccinateArgininosuccinic acidME545376-C03406--
AsparagineAsparagineME545273-C00152--
Aspartic AcidAspartic acidME545274-C00049--
betaAlaninebeta-AlanineME545228-C00099--
BetaineBetaineME545250-C00719--
Betaine AldehydeBetaine aldehydeME545232-C00576--
BiliverdinBiliverdinME545391-C00500--
BiopterinBiopterinME545352-C06313--
CadaverineCadaverineME545233-C01672--
CaffeineCaffeineME545336-C07481--
cAMP3',5' cyclic AMPME545380-C00575--
CarnitineCarnitineME545305-C00487--
CarnosineCarnosineME545349-C00386--
CDPCDPME545387-C00112--
CholecalciferolVitamin D3ME545384-C05443--
CholineCholineME545235-C00114--
CotinineCotinineME545319-N/A--
CreatineCreatineME545267-C00300--
CreatinineCreatinineME545245-C00791--
Cyanocobalamin (Vitamin B12)CyanocobalaminME545394-C02823--
CystamineCystamineME545297-N/A--
CysteineCysteineME545254-C00097--
Cysteinyl-Glycine (Cys-Gly)Cys-GlyME545320-C01419--
CystineCystineME545354-C00491--
CytidineCytidineME545355-C00475--
CytosineCytosineME545243-C00380--
d3-Creatinine-ME545248----
Deoxycarnitine3-DehydroxycarnitineME545292-C01181--
DeoxyguanosineDeoxyguanosineME545367-C00330--
Dimethylarginine (A/SDMA)DimethylarginineME545340-C03626--
DimethylglycineDimethylglycineME545236-C01026--
DL DOPADOPAME545338-C00355--
EpinephrineEpinephrineME545326-C00788--
ErgocalciferolVitamin D2ME545385-C05441--
EthanolamineEthanolamineME545221-C00189--
FADFADME545397-C00016--
Folic AcidFolic acidME545389-C00504--
GluconolactoneGluconolactoneME545321-C00198--
GlucosamineGlucosamineME545322-C00329--
Glutamic acidGlutamic acidME545293-C00025--
GlutamineGlutamineME545290-C00064--
GlutarylcarnitineCAR DC5:0ME545370-N/A--
Glycerophosphocholinesn-Glycero-3-phosphocholineME545361-C00670--
GlycineGlycineME545224-C00037--
GMPGMPME545381-C00144--
GuanineGuanineME545296-C00242--
GuanosineGuanosineME545373-C00387--
HistamineHistamineME545244-C00388--
HistidineHistidineME545302-C00135--
HomoarginineHomoarginineME545332-C01924--
HomocitrullineHomocitrullineME545334-C02427--
HomocysteineHomocysteineME545275-C00155--
HydroxyprolineHydroxyprolineME545268-C01157--
HypotaurineHypotaurineME545242-C00519--
Imidazoleacetic AcidImidazoleacetic acidME545261-C02835--
Imidazole PropionateImidazole propanoateME545286-C20522--
IndoleIndoleME545252-C00463--
InosineInosineME545369-C00294--
iso-Leucine /allo-isoLeucine-ME545271-C00407/C21096--
isoValerylcarnitineCAR 4:0;3MeME545357-C20826--
L-2-Aminobutyric Acid2S-Aminobutyric acidME545237-C02356--
Leucine /D-NorleucineLeucineME545270-C00123--
L-KynurenineKynurenineME545345-C00328--
LysineLysineME545291-C00047--
MethionineMethionineME545294-C00073--
Methionine SulfoxideMethionine sulfoxideME545308-C02989--
MethylcobalaminMethylcobalaminME545393-C06453--
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME545378-N/A--
N6-Acetyl-LysineN6-AcetyllysineME545331-C02727--
N6-TrimethyllysineN-6-TrimethyllysineME545333-C03793--
N-Ac-Arginine-ME545347-N/A--
N-AcetylornithineN-AcetylornithineME545317-C00437--
N-AcetylputrescineN-AcetylputrescineME545266-C02714--
NADNAD+ME545392-C00003--
NADPHNADPHME545395-C00005--
NeopterinNeopterinME545359-C05926--
n-GlycylprolineGly-ProME545315-N/A--
NiacinamideNiacinamideME545256-C00153--
NorepinephrineNorepinephrineME545314-C00547--
NormetanephrineNormetanephrineME545310-C05589--
OrnithineOrnithineME545272-C01602--
PhenylalaninePhenylalanineME545307-C00079--
PhosphocreatinePhosphocreatineME545346-C02305--
PhosphorylcholineCholine phosphateME545329-C00588--
PhosphotyrosineO-PhosphotyrosineME545363-C06501--
PipecolatePipecolic acidME545264-C00408--
ProlineProlineME545247-C00148--
PutrescinePutrescineME545227-C00134--
PyridoxaminePyridoxamineME545312-C00534--
Pyroglutamic AcidPyroglutamic acidME545263-C01879--
RetinalRetinalME545374-C00376--
RetinolRetinolME545375-C19962--
RiboflavinRiboflavinME545382-C00255--
S-Adenosylmethionine (SAM)S-AdenosylmethionineME545386-C00019--
SAHS-AdenosylhomocysteineME545383-C00021--
SalicylurateSalicyluric acidME545337-C07588--
SarcosineSarcosineME545230-C00213--
SelenomethionineSelenomethionineME545339-C05335--
Se-MethylselenocysteineSe-MethylselenocysteineME545327-C05689--
SerineSerineME545240-C00065--
SerotoninSerotoninME545303-C00780--
S-MethylcysteineMethylcysteineME545276-C22040--
SpermidineSpermidineME545287-C00315--
SpermineSpermineME545341-C00750--
SuccinylcarnitineCAR DC4:0ME545364-N/A--
TaurineTaurineME545259-C00245--
TaurocyamineTaurocyamineME545311-C01959--
TheobromineTheobromineME545323-C07480--
ThiamineThiamineME545365-C00378--
Thiamine pyrophosphateThiamine diphosphateME545388-C00068--
ThreonineThreonineME545253-C00188--
ThyroxineThyroxineME545396-C01829--
TrigonellineTrigonellineME545280-C01004--
Trimethylamine-N-Oxide (TMAO)Trimethylamine N-oxideME545225-C01104--
Trimethylamine (TMA)TrimethylamineME545220-C00565--
TryptamineTryptamineME545304-C00398--
TryptophanTryptophanME545344-C00078--
TyramineTyramineME545278-C00483--
TyrosineTyrosineME545325-C00082--
UbiquinolCoenzyme Q10ME545399-C11378--
UMPUMPME545379-C00105--
UridineUridineME545356-C00299--
ValineValineME545251-C00183--
Vitamin K1Vitamin K1ME545390-C02059--


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1C13-Citrulline-ME545501----
2,3-Dihydroxybenzoic Acid2-Pyrocatechuic acidME545470-C00196--
2/3-Phosphoglyceric Acid-ME545517-C00197/C00597--
2-Aminoadipatealpha-Aminoadipic acidME545475-C00956--
2-Hydroxyglutarate2-Hydroxyglutaric acidME545454-C02630--
2-Hydroxyisobutyrate/2-Hydroxybutyrate-ME545412-N/A--
2-Hydroxyisovaleric Acid2-Hydroxy-3-methylbutyric acidME545420-N/A--
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME545462-C01983--
2-isoPropylmalic Acid2-Isopropylmalic acidME545500-C02504--
2-Methylglutaric Acid2-Methylglutaric acidME545452-N/A--
2N15-Urate-ME545490----
2N15-Xanthine-ME545468----
2-Oxobutyrate3-Methyl pyruvic acidME545408-C00109--
2-oxo-Isocaproic AcidKetoleucineME545430-C00233--
3/4-Hydroxyphenylacetic Acid-ME545465-C05593/C00642--
3-(4-Hydroxyphenyl)PropionateDesaminotyrosineME545484-C01744--
3C13-Lactate-ME545406----
3HBA3-Hydroxybutyric acidME545411-C01089--
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME545466-C00632--
3-Hydroxycinnaminic Acidcis-p-Coumaric acidME545480-C00811--
3-Hydroxyisovaleric Acid3-Hydroxyisovaleric acidME545423-C20827--
3-Hydroxypropionic AcidHydroxypropionic acidME545405-C01013--
3-Indoxyl SulfateIndoxyl sulfateME545535-N/A--
3-isoPropylmalic Acid-ME545502-C04411--
3-Methyl-3-Hydroxyglutaric Acid3-Hydroxymethylglutaric acidME545478-C03761--
3-Sulfinoanaline3-Sulfino-alanineME545469-C00606--
4C13-3HBA-ME545414----
4C13-Pentothenate-ME545539----
4-Hydroxy-3-Nitrophenylacetate-ME545527-N/A--
4-Hydroxybenzoic Acid4-Hydroxybenzoic acidME545446-C00156--
4-Pyridoxic Acid4-Pyridoxic acidME545514-C00847--
5-Hydroxyl-Indole-3-Acetic Acid5-Hydroxyindoleacetic acidME545523-C05635--
5-Hydroxymethyl-2'-Deoxyuridine-ME545552-N/A--
5-MethyluridineRibothymidineME545551-N/A--
6C13-Glucose-ME545516----
6-Phosphogluconic Acid6-Phosphogluconic acidME545559-C00345--
AcetylphosphateAcetylphosphateME545447-C00227--
AdenineAdenineME545440-C00147--
AdenylosuccinateAdenylsuccinic acidME545595-C03794--
Adipic Acid / 3-Methylglutaric Acid-ME545450-C06104/NA--
ADPADPME545591-C00008--
AllantoinAllantoinME545473-C01551--
AllopurinolAllopurinolME545441-D00224--
Alpha-Ketoglutaric Acid2-Oxoglutaric acidME545451-C00026--
alpha-Ketophenylacetic AcidPhenylglyoxylic acidME545458-C02137--
alpha-Tocopherolalpha-TocopherolME545592-C02477--
AMPAMPME545579-C00020--
Anthranilic Acid2-Aminobenzoic acidME545445-C00108--
Arabitol/XylitolArabitolME545464-C01904--
ArachidonateArachidonic acidME545566-C00219--
Ascorbic Acid (Vit. C)Vitamin CME545499-C00072--
ATPATPME545603-C00002--
Azelaic AcidAzelaic acidME545518-C08261--
beta-Muricholic Acidbeta-Muricholic acidME545588-C17726--
BiotinBiotinME545547-C00120--
cGMP3',5' cyclic GMPME545577-C00942--
ChenodeoxycholateChenodeoxycholic acidME545586-C02528--
Cholesteryl SulfateCholesterol sulfateME545597-C18043--
Cholic AcidCholic acidME545589-C00695--
cis-Aconitatecis-Aconitic acidME545494-C00417--
Citraconic AcidCitraconic acidME545429-C02226--
Citramalic AcidCitramalic acidME545455-C00815--
Citric AcidCitric acidME545525-C00158--
CitrullineCitrullineME545497-C00327--
CMPCMPME545573-C00055--
CortisolCortisolME545582-C00735--
CTPCTPME545601-C00063--
CystathionineCystathionineME545537-C02291--
Cysteine-S-SulfateCysteine-S-sulfateME545530-C05824--
DATPdATPME545602-C00131--
DCDPdCDPME545583-C00705--
DCMPdCMPME545567-C00239--
dCTPdCTPME545598-C00458--
Deoxycholic AcidDeoxycholic acidME545585-C04483--
DHAP/D-GA3PDihydroxyacetone phosphateME545489-C00111--
D-Leucic AcidD-Leucic acidME545434-C03264--
DopamineDopamineME545467-C03758--
DTMPdTMPME545572-C00364--
DUMPdUMPME545569-C00365--
DUTPdUTPME545599-C00460--
Erythronic/Threonic AcidThreonic acidME545444-NA/C01620--
ErythroseErythroseME545424-C01796--
Erythrose-4-PhosphateErythrose 4-phosphateME545529-C00279--
Ethylmalonic acidEthylmalonic acidME545437-N/A--
F16BP/F26BP/G16BP-ME545574-C00665/C00354/C01231--
FructoseFructoseME545508-C00095--
Fumaric AcidFumaric acidME545416-C00122--
G1P/F1P/F6P-ME545555-C01094/C00085/C00103--
G6PGlucose 6-phosphateME545554-C00092--
gamma-Aminobutyrategamma-Aminobutyric acidME545409-C00334--
gamma-Tocopherolgamma-TocopherolME545590-C02483--
GDPGDPME545593-C00035--
GentisateGentisic acidME545471-C00628--
Geranyl PyrophosphateGeranyl diphosphateME545571-C00341--
GibberellinGibberellin A3ME545578-C01699--
GlucoronateGlucuronic acidME545526-C00191--
Glucosamine-6-PhosphateGlucosamine 6-phosphateME545553-C00352--
GlucoseGlucoseME545506-C00031--
Glutaric AcidGlutaric acidME545435-C00489--
GlyceraldehydeGlyceraldehydeME545404-C00577--
GlycerateGlyceric acidME545413-C00258--
Glycerol-3-Psn-Glycero-3-phosphateME545491-C00093--
GlycochenodeoxycholateGlycochenodeoxycholic acidME545594-C05466--
GlycocholateGlycocholic acidME545596-C01921--
Glycolic acidGlycolic acidME545401-C00160--
GTPGTPME545607-C00044--
GuanidinoacetateGuanidoacetic acidME545419-C00581--
Hippuric AcidHippuric acidME545504-C01586--
HomogentisateHomogentisic acidME545487-C00544--
HomovanilateHomovanillic acidME545512-C05582--
Hydrocinnamic AcidHydrocinnamic acidME545459-C05629--
HypoxanthineHypoxanthineME545442-C00262--
IMPIMPME545580-C00130--
Indole-2-Carboxylic Acid-ME545477-N/A--
Indole-3-Acetic AcidIndoleacetic acidME545496-C00954--
Indole-3-Carboxylic AcidIndole-3-carboxylic acidME545476-C19837--
Indole-3-LactateIndolelactic acidME545533-C02043--
Indole-3-Propionate3-Indolepropionic acidME545522-N/A--
IndolePyruvateIndolepyruvateME545531-C00331--
InositolInositolME545505-C00137--
isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate-ME545407-C5H10O2/C4H6O3/C4H6O3--
Itaconic AcidItaconic acidME545431-C00490--
Kynurenic AcidKynurenic acidME545520-C01717--
LactateLactic acidME545403-C00186--
Lactose/TrehaloseLactoseME545575-C00243--
Linoleic AcidLinoleic acidME545561-C01595--
Linolenic AcidOctadecatrienoic acidME545560-C06427--
L-Mandelic AcidMandelic acidME545463-C01984--
L-Tartaric AcidTartaric acidME545456-C00898--
MalateMalic acidME545439-C00149--
Maleic AcidMaleic acidME545417-C01384--
MalondialdehydeMalondialdehydeME545400-C19440--
Malonic AcidMalonic acidME545410-C00383--
MannitolMannitolME545513-C00392--
MannoseMannoseME545507-C00159--
Margaric AcidMargaric acidME545558-N/A--
MelatoninMelatoninME545543-C01598--
MethylmalonateMethylmalonic acidME545422-C02170--
MethylSuccinateMethylsuccinic acidME545433-N/A--
MevalonateMevalonic acidME545453-C00418--
MOPEG Sulfate-ME545557-N/A--
Myristic AcidMyristic acidME545540-C06424--
N-Ac-AlanineN-AcetylalanineME545432-N/A--
N-Acetyl-Aspartate (NAA)N-Acetylaspartic acidME545498-C01042--
N-Acetyl-Aspartyl-Glutamate (NAAG)N-Acetyl-Asp-GluME545565-C12270--
N-AcetylGlycineN-AcetylglycineME545418-N/A--
N-AcetylneuraminateN-Acetylneuraminic acidME545570-C00270--
N-Ac-GlutamateN-Acetylglutamic acidME545521-C00624--
N-Ac-L-GlutamineN-AcetylglutamineME545519-N/A--
N-Ac-MethionineN-AcetylmethionineME545524-C02712--
N-Ac-PhenylalanineN-AcetylphenylalanineME545534-C03519--
N-Ac-Tryptophan-ME545548-N/A--
N-Ac-TyrosineN-AcetyltyrosineME545538-C01657--
NADHNADHME545611-C00004--
NADPNADP+ME545612-C00006--
N-Carbamoyl-B-AlanineUreidopropionic acidME545438-C02642--
n-FormylmethionineN-FormylmethionineME545503-C03145--
Nicotinic AcidNicotinic acidME545426-C00253--
n-isoButyrylglycineIsobutyrylglycineME545449-N/A--
n-isoValerylglycineIsovalerylglycineME545474-N/A--
OH-Phenylpyruvate4-Hydroxyphenylpyruvic acidME545509-C01179--
o-PhosphoethanolaminePhosphoethanolamineME545448-C00346--
OrotateOrotic acidME545472-C00295--
OxalacetateOxaloacetic acidME545436-C00036--
Oxidized GlutathioneOxidized glutathioneME545610-C00127--
OxypurinolOxypurinolME545460-C07599--
Palmitic AcidPalmitic acidME545550-C00249--
p-Coumaric Acidcis-p-Coumaric acidME545481-C12621--
PentothenatePantothenic acidME545536-C00864--
PEPPhosphoenolpyruvic acidME545486-C00074--
PGEPGE2ME545581-C00584--
Phenylacetic AcidPhenylacetic acidME545443-C07086--
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME545556-C04148--
Phenyllactic AcidPhenyllactic acidME545483-C05607--
Phosphoadenosine Phosphosulfate-ME545604-C00053--
PhosphoserinePhosphoserineME545515-C01005--
Picolinic AcidPicolinic acidME545427-C10164--
PPAPhenylpyruvic acidME545479-C00166--
PRPPPhosphoribosyl pyrophosphateME545584-C00119--
PseudouridinePseudouridineME545546-C02067--
Pyridoxal-5-PPyridoxal 5'-phosphateME545549-C00018--
PyruvatePyruvic acidME545402-C00022--
Quinolinic AcidQuinolinic acidME545485-C03722--
Reduced GlutathioneGlutathioneME545568-C00051--
Retinoic AcidRetinoic acidME545564-C00777--
Ribose-5-PRibose 5-phosphateME545541-C00117--
Ribulose 5-PhosphateRibulose 5-phosphateME545542-C00199--
Sedoheptulose 7-PhosphateSedoheptulose 7-phosphateME545563-C05382--
Shikimic AcidShikimic acidME545493-C00493--
SorbitolSorbitolME545511-C00794--
Suberic AcidSuberic acidME545495-C08278--
SuccinateSuccinic acidME545421-C00042--
SucroseSucroseME545576-C00089--
Tauro-alpha/beta-Muricholic AcidTauromuricholic acidME545605-N/A--
TaurocholateTaurocholic acidME545606-C05122--
TetrahydrobiopterinSapropterinME545544-C00272--
TheophyllineTheophyllineME545510-C07130--
ThreitolThreitolME545425-C16884--
ThymidineThymidineME545545-C00214--
ThymineThymineME545428-C00178--
trans-Aconitatetrans-Aconitic acidME545492-C02341--
TTPdTTPME545600-C00459--
UDPUDPME545587-C00015--
UDP-GlcNAcUDP-N-acetylglucosamineME545609-C00043--
UDP-GlucoseUDP-glucoseME545608-C00029--
UracilUracilME545415-C00106--
UrateUric acidME545488-C00366--
Vanilmandelic AcidVanillylmandelic acidME545528-C05584--
XanthineXanthineME545461-C00385--
XanthosineXanthosineME545562-C01762--
Xanthurenic AcidXanthurenic acidME545532-C02470--
XylonateXylonic acidME545482-C05411--
XyloseXyloseME545457-C00181--


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