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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-ME531459----
10C13-Phenylalanine-ME531447----
10C13-Tyrosine-ME531464----
11C13-Uridine-ME531489----
13C13-TryptophanTryptophanME531477----
1/3-Methylhistidine3-MethylhistidineME531442-C01152--
1,7-DimethylxanthineParaxanthineME531453-C13747--
1-Methyladenosine1-MethyladenosineME531500-C02494--
1-MethylguanidineMethylguanidineME531352-C02294--
1-Methylhistamine1-MethylhistamineME531389-C05127--
1-Methylimidazole AcetateMethylimidazoleacetic acidME531414-C20522--
1-Methylnicotinamide1-Methyl nicotinamideME531406-C02918--
2,3-Diphosphoglyceric Acid2,3-Diphosphoglyceric acidME531495-C01159--
2-Aminoisobutyric AcidAminoisobutyric acidME531367-C03665--
2C13-Choline-ME531368----
2C13-Glutamic acid-ME531424----
2C13-Tyrosine-ME531457----
2'-DeoxycytidineDeoxycytidineME531479-C00881--
2'-DeoxyuridineDeoxyuridineME531480-C00526--
3-Aminoisobutyrate3-Aminoisobutanoic acidME531363-C03284--
3C13-Glycine-ME531355----
3-Indolebutyric Acid3-Indolebutyric acidME531471-C11284--
4-Aminobenzoic Acidp-Aminobenzoic acidME531408-C00568--
4C13-Alanine-ME531360----
4C13-Serine-ME531370----
4-Guanidinobutanoate4-Guanidinobutanoic acidME531417-C01996--
5,6-DihydrothymineDihydrothymineME531391-C00906--
5,6-DihydrouracilDihydrouracilME531375-C00429--
5-Aminovaleric Acid5-Aminopentanoic acidME531378-C00431--
5C13-Aspartic Acid-ME531410----
5C13-Threonine-ME531387----
5-Methylcytidine5-MethylcytidineME531491-N/A--
5'-Methylthioadenosine5'-MethylthioadenosineME531506-C00170--
6C13-Asparagine-ME531411----
6C13-Glutamic acid-ME531428----
6C13-Methionine-ME531430----
6C13-Proline-ME531384----
6C13-Valine-ME531386----
6-MethyladenosineN6-MethyladenosineME531501-N/A--
7C13-Glutamine-ME531427----
7C13-iso-Leucine-ME531413----
7C13-Leucine-ME531412----
7-Methylguanine7-MethylguanineME531438-C02242--
8C13-Cystine-ME531487----
8C13-Lysine-ME531429----
9C13-Histidine-ME531435----
AcetylcarnitineCAR 2:0ME531472-C02571--
AcetylcholineAcetylcholineME531418-C00064--
AdenosineAdenosineME531497-C00212--
AdenosylcobalaminAdenosylcobalaminME531527-C00194--
AgmatineAgmatineME531394-C00179--
AlanineAlanineME531358-C00041--
AminoacetoneAminoacetoneME531351-C01888--
Aminolevulinate5-Amino-levulinic acidME531398-C00430--
AnserineAnserineME531482-C01262--
ArginineArginineME531445-C00062--
ArgininosuccinateArgininosuccinic acidME531505-C03406--
AsparagineAsparagineME531402-C00152--
Aspartic AcidAspartic acidME531403-C00049--
betaAlaninebeta-AlanineME531357-C00099--
BetaineBetaineME531379-C00719--
Betaine AldehydeBetaine aldehydeME531361-C00576--
BiliverdinBiliverdinME531520-C00500--
BiopterinBiopterinME531481-C06313--
CadaverineCadaverineME531362-C01672--
CaffeineCaffeineME531465-C07481--
cAMP3',5' cyclic AMPME531509-C00575--
CarnitineCarnitineME531434-C00487--
CarnosineCarnosineME531478-C00386--
CDPCDPME531516-C00112--
CholecalciferolVitamin D3ME531513-C05443--
CholineCholineME531364-C00114--
CotinineCotinineME531448-N/A--
CreatineCreatineME531396-C00300--
CreatinineCreatinineME531374-C00791--
Cyanocobalamin (Vitamin B12)CyanocobalaminME531523-C02823--
CystamineCystamineME531426-N/A--
CysteineCysteineME531383-C00097--
Cysteinyl-Glycine (Cys-Gly)Cys-GlyME531449-C01419--
CystineCystineME531483-C00491--
CytidineCytidineME531484-C00475--
CytosineCytosineME531372-C00380--
d3-Creatinine-ME531377----
Deoxycarnitine3-DehydroxycarnitineME531421-C00025--
DeoxyguanosineDeoxyguanosineME531496-C00330--
Dimethylarginine (A/SDMA)DimethylarginineME531469-C03626--
DimethylglycineDimethylglycineME531365-C01026--
DL DOPADOPAME531467-C00355--
EpinephrineEpinephrineME531455-C00788--
ErgocalciferolVitamin D2ME531514-C05441--
EthanolamineEthanolamineME531350-C00189--
FADFADME531526-C00016--
Folic AcidFolic acidME531518-C00504--
GluconolactoneGluconolactoneME531450-C00198--
GlucosamineGlucosamineME531451-C00329--
Glutamic acidGlutamic acidME531422-C00073--
GlutamineGlutamineME531419-C00047--
GlutarylcarnitineCAR DC5:0ME531499-N/A--
Glycerophosphocholinesn-Glycero-3-phosphocholineME531490-C00670--
GlycineGlycineME531353-C00037--
GMPGMPME531510-C00144--
GuanineGuanineME531425-C00242--
GuanosineGuanosineME531502-C00387--
HistamineHistamineME531373-C00388--
HistidineHistidineME531431-C00135--
HomoarginineHomoarginineME531461-C01924--
HomocitrullineHomocitrullineME531463-C02427--
HomocysteineHomocysteineME531404-C00155--
HydroxyprolineHydroxyprolineME531397-C01157--
HypotaurineHypotaurineME531371-C00519--
Imidazoleacetic AcidImidazoleacetic acidME531390-C02835--
Imidazole PropionateImidazole propanoateME531415-C00315--
IndoleIndoleME531381-C00463--
InosineInosineME531498-C00294--
iso-Leucine /allo-isoLeucine-ME531400-C00407/C21096--
isoValerylcarnitineCAR 4:0;3MeME531486-C20826--
L-2-Aminobutyric Acid2S-Aminobutyric acidME531366-C02356--
Leucine /D-NorleucineLeucineME531399-C00123--
L-KynurenineKynurenineME531474-C00328--
LysineLysineME531420-C01181--
MethionineMethionineME531423-C00073--
Methionine SulfoxideMethionine sulfoxideME531437-C02989--
MethylcobalaminMethylcobalaminME531522-C06453--
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME531507-N/A--
N6-Acetyl-LysineN6-AcetyllysineME531460-C02727--
N6-TrimethyllysineN-6-TrimethyllysineME531462-C03793--
N-Ac-Arginine-ME531476-N/A--
N-AcetylornithineN-AcetylornithineME531446-C00437--
N-AcetylputrescineN-AcetylputrescineME531395-C02714--
NADNADME531521-C00003--
NADPHNADPHME531524-C00005--
NeopterinNeopterinME531488-C05926--
n-GlycylprolineGly-ProME531444-N/A--
NiacinamideNiacinamideME531385-C00153--
NorepinephrineNorepinephrineME531443-C00547--
NormetanephrineNormetanephrineME531439-C05589--
OrnithineOrnithineME531401-C01602--
PhenylalaninePhenylalanineME531436-C00079--
PhosphocreatinePhosphocreatineME531475-C02305--
PhosphorylcholineCholine phosphateME531458-C00588--
PhosphotyrosineO-PhosphotyrosineME531492-C06501--
PipecolatePipecolic acidME531393-C00408--
ProlineProlineME531376-C00148--
PutrescinePutrescineME531356-C00134--
PyridoxaminePyridoxamineME531441-C00534--
Pyroglutamic AcidPyroglutamic acidME531392-C01879--
RetinalRetinalME531503-C00376--
RetinolRetinolME531504-C19962--
RiboflavinRiboflavinME531511-C00255--
S-Adenosylmethionine (SAM)S-AdenosylmethionineME531515-C00019--
SAHS-AdenosylhomocysteineME531512-C00021--
SalicylurateSalicyluric acidME531466-C07588--
SarcosineSarcosineME531359-C00213--
SelenomethionineSelenomethionineME531468-C05335--
Se-MethylselenocysteineSe-MethylselenocysteineME531456-C05689--
SerineSerineME531369-C00065--
SerotoninSerotoninME531432-C00780--
S-MethylcysteineMethylcysteineME531405-C22040--
SpermidineSpermidineME531416-C01035--
SpermineSpermineME531470-C00750--
SuccinylcarnitineCAR DC4:0ME531493-N/A--
TaurineTaurineME531388-C00245--
TaurocyamineTaurocyamineME531440-C01959--
TheobromineTheobromineME531452-C07480--
ThiamineThiamineME531494-C00378--
Thiamine pyrophosphateThiamine diphosphateME531517-C00068--
ThreonineThreonineME531382-C00188--
ThyroxineThyroxineME531525-C01829--
TrigonellineTrigonellineME531409-C01004--
Trimethylamine-N-Oxide (TMAO)Trimethylamine N-oxideME531354-C01104--
Trimethylamine (TMA)TrimethylamineME531349-C00565--
TryptamineTryptamineME531433-C00398--
TryptophanTryptophanME531473-C00078--
TyramineTyramineME531407-C00483--
TyrosineTyrosineME531454-C00082--
UbiquinolCoenzyme Q10ME531528-C11378--
UMPUMPME531508-C00105--
UridineUridineME531485-C00299--
ValineValineME531380-C00183--
Vitamin K1Vitamin K1ME531519-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-ME531630----
2,3-Dihydroxybenzoic Acid2-Pyrocatechuic acidME531599-C00196--
2/3-Phosphoglyceric AcidPhosphoglyceric acidME531646-C00197/C00597--
2-Aminoadipatealpha-Aminoadipic acidME531604-C00956--
2-Hydroxyglutarate2-Hydroxyglutaric acidME531583-C02630--
2-Hydroxyisobutyrate/2-Hydroxybutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME531541-N/A--
2-Hydroxyisovaleric Acid2-Hydroxy-3-methylbutyric acidME531549-N/A--
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME531591-C01983--
2-isoPropylmalic Acid2-Isopropylmalic acidME531629-C02504--
2-Methylglutaric Acid2-Methylglutaric acidME531581-N/A--
2N15-Urate-ME531619----
2N15-Xanthine-ME531597----
2-Oxobutyrate3-Methyl pyruvic acidME531537-C00109--
2-oxo-Isocaproic AcidKetoleucineME531559-C00233--
3/4-Hydroxyphenylacetic Acid-ME531594-C05593/C00642--
3-(4-Hydroxyphenyl)PropionateDesaminotyrosineME531613-C01744--
3C13-Lactate-ME531535----
3HBA3-Hydroxybutyric acidME531540-C01089--
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME531595-C00632--
3-Hydroxycinnaminic Acidcis-p-Coumaric acidME531609-C00811--
3-Hydroxyisovaleric Acid3-Hydroxyisovaleric acidME531552-C20827--
3-Hydroxypropionic AcidHydroxypropionic acidME531534-C01013--
3-Indoxyl SulfateIndoxyl sulfateME531664-N/A--
3-isoPropylmalic Acid-ME531631-C04411--
3-Methyl-3-Hydroxyglutaric Acid3-Hydroxymethylglutaric acidME531607-C03761--
3-Sulfinoanaline3-Sulfino-alanineME531598-C00606--
4C13-3HBA-ME531543----
4C13-Pentothenate-ME531668----
4-Hydroxy-3-Nitrophenylacetate-ME531656-N/A--
4-Hydroxybenzoic Acid4-Hydroxybenzoic acidME531575-C00156--
4-Pyridoxic Acid4-Pyridoxic acidME531643-C00847--
5-Hydroxyl-Indole-3-Acetic Acid5-Hydroxyindoleacetic acidME531652-C05635--
5-Hydroxymethyl-2'-Deoxyuridine-ME531681-N/A--
5-MethyluridineRibothymidineME531680-N/A--
6C13-Glucose-ME531645----
6-Phosphogluconic Acid6-Phosphogluconic acidME531688-C00345--
AcetylphosphateAcetylphosphateME531576-C00227--
AdenineAdenineME531569-C00147--
AdenylosuccinateAdenylsuccinic acidME531724-C03794--
Adipic Acid / 3-Methylglutaric Acid-ME531579-C06104/NA--
ADPADPME531720-C00008--
AllantoinAllantoinME531602-C01551--
AllopurinolAllopurinolME531570-D00224--
Alpha-Ketoglutaric Acid2-Oxoglutaric acidME531580-C00026--
alpha-Ketophenylacetic AcidPhenylglyoxylic acidME531587-C02137--
alpha-Tocopherolalpha-TocopherolME531721-C02477--
AMPAMPME531708-C00020--
Anthranilic Acid2-Aminobenzoic acidME531574-C00108--
Arabitol/XylitolArabitolME531593-C01904--
ArachidonateArachidonic acidME531695-C00219--
Ascorbic Acid (Vit. C)Vitamin CME531628-C00072--
ATPATPME531732-C00002--
Azelaic AcidAzelaic acidME531647-C08261--
beta-Muricholic Acidbeta-Muricholic acidME531717-C17726--
BiotinBiotinME531676-C00120--
cGMP3',5' cyclic GMPME531706-C00942--
ChenodeoxycholateChenodeoxycholic acidME531715-C02528--
Cholesteryl SulfateCholesterol sulfateME531726-C18043--
Cholic AcidCholic acidME531718-C00695--
cis-Aconitatecis-Aconitic acidME531623-C00417--
Citraconic AcidCitraconic acidME531558-C02226--
Citramalic AcidCitramalic acidME531584-C00815--
Citric AcidCitric acidME531654-C00158--
CitrullineCitrullineME531626-C00327--
CMPCMPME531702-C00055--
CortisolCortisolME531711-C00735--
CTPCTPME531730-C00063--
CystathionineCystathionineME531666-C02291--
Cysteine-S-SulfateCysteine-S-sulfateME531659-C05824--
DATPdATPME531731-C00131--
DCDPdCDPME531712-C00705--
DCMPdCMPME531696-C00239--
dCTPdCTPME531727-C00458--
Deoxycholic AcidDeoxycholic acidME531714-C04483--
DHAP/D-GA3PDihydroxyacetone phosphateME531618-C00111--
D-Leucic AcidD-Leucic acidME531563-C03264--
DopamineDopamineME531596-C03758--
DTMPdTMPME531701-C00364--
DUMPdUMPME531698-C00365--
DUTPdUTPME531728-C00460--
Erythronic/Threonic AcidThreonic acidME531573-NA/C01620--
ErythroseErythroseME531553-C01796--
Erythrose-4-PhosphateErythrose 4-phosphateME531658-C00279--
Ethylmalonic acidEthylmalonic acidME531566-N/A--
F16BP/F26BP/G16BP-ME531703-C00665/C00354/C01231--
FructoseFructoseME531637-C00095--
Fumaric AcidFumaric acidME531545-C00122--
G1P/F1P/F6P-ME531684-C01094/C00085/C00103--
G6PGlucose 6-phosphateME531683-C00092--
gamma-Aminobutyrategamma-Aminobutyric acidME531538-C00334--
gamma-Tocopherolgamma-TocopherolME531719-C02483--
GDPGDPME531722-C00035--
GentisateGentisic acidME531600-C00628--
Geranyl PyrophosphateGeranyl diphosphateME531700-C00341--
GibberellinGibberellin A3ME531707-C01699--
GlucoronateGlucuronic acidME531655-C00191--
Glucosamine-6-PhosphateGlucosamine 6-phosphateME531682-C00352--
GlucoseGlucoseME531635-C00031--
Glutaric AcidGlutaric acidME531564-C00489--
GlyceraldehydeGlyceraldehydeME531533-C00577--
GlycerateGlyceric acidME531542-C00258--
Glycerol-3-Psn-Glycero-3-phosphateME531620-C00093--
GlycochenodeoxycholateGlycochenodeoxycholic acidME531723-C05466--
GlycocholateGlycocholic acidME531725-C01921--
Glycolic acidGlycolic acidME531530-C00160--
GTPGTPME531736-C00044--
GuanidinoacetateGuanidoacetic acidME531548-C00581--
Hippuric AcidHippuric acidME531633-C01586--
HomogentisateHomogentisic acidME531616-C00544--
HomovanilateHomovanillic acidME531641-C05582--
Hydrocinnamic AcidHydrocinnamic acidME531588-C05629--
HypoxanthineHypoxanthineME531571-C00262--
IMPIMPME531709-C00130--
Indole-2-Carboxylic Acid-ME531606-N/A--
Indole-3-Acetic AcidIndoleacetic acidME531625-C00954--
Indole-3-Carboxylic AcidIndole-3-carboxylic acidME531605-C19837--
Indole-3-LactateIndolelactic acidME531662-C02043--
Indole-3-Propionate3-Indolepropionic acidME531651-N/A--
IndolePyruvateIndolepyruvateME531660-C00331--
InositolInositolME531634-C00137--
isoValeric Acid /4-Oxobutanoate/Acetoacetate-ME531536-C08262/C00232/C00164--
Itaconic AcidItaconic acidME531560-C00490--
Kynurenic AcidKynurenic acidME531649-C01717--
LactateLactic acidME531532-C00186--
Lactose/TrehaloseLactoseME531704-C00243--
Linoleic AcidLinoleic acidME531690-C01595--
Linolenic AcidOctadecatrienoic acidME531689-C06427--
L-Mandelic AcidMandelic acidME531592-C01984--
L-Tartaric AcidTartaric acidME531585-C00898--
MalateMalic acidME531568-C00149--
Maleic AcidMaleic acidME531546-C01384--
MalondialdehydeMalondialdehydeME531529-C19440--
Malonic AcidMalonic acidME531539-C00383--
MannitolMannitolME531642-C00392--
MannoseMannoseME531636-C00159--
Margaric AcidMargaric acidME531687-N/A--
MelatoninMelatoninME531672-C01598--
MethylmalonateMethylmalonic acidME531551-C02170--
MethylSuccinateMethylsuccinic acidME531562-N/A--
MevalonateMevalonic acidME531582-C00418--
MOPEG Sulfate-ME531686-N/A--
Myristic AcidMyristic acidME531669-C06424--
N-Ac-AlanineN-AcetylalanineME531561-N/A--
N-Acetyl-Aspartate (NAA)N-Acetylaspartic acidME531627-C01042--
N-Acetyl-Aspartyl-Glutamate (NAAG)N-Acetyl-Asp-GluME531694-C12270--
N-AcetylGlycineN-AcetylglycineME531547-N/A--
N-AcetylneuraminateN-Acetylneuraminic acidME531699-C00270--
N-Ac-GlutamateN-Acetylglutamic acidME531650-C00624--
N-Ac-L-GlutamineN-AcetylglutamineME531648-N/A--
N-Ac-MethionineN-AcetylmethionineME531653-C02712--
N-Ac-PhenylalanineN-AcetylphenylalanineME531663-C03519--
N-Ac-Tryptophan-ME531677-N/A--
N-Ac-TyrosineN-AcetyltyrosineME531667-C01657--
NADHNADHME531740-C00004--
NADPNADPME531741-C00006--
N-Carbamoyl-B-AlanineUreidopropionic acidME531567-C02642--
n-FormylmethionineN-FormylmethionineME531632-C03145--
Nicotinic AcidNicotinic acidME531555-C00253--
n-isoButyrylglycineIsobutyrylglycineME531578-N/A--
n-isoValerylglycineIsovalerylglycineME531603-N/A--
OH-Phenylpyruvate4-Hydroxyphenylpyruvic acidME531638-C01179--
o-PhosphoethanolaminePhosphoethanolamineME531577-C00346--
OrotateOrotic acidME531601-C00295--
OxalacetateOxaloacetic acidME531565-C00036--
Oxidized GlutathioneOxidized glutathioneME531739-C00127--
OxypurinolOxypurinolME531589-C07599--
Palmitic AcidPalmitic acidME531679-C00249--
p-Coumaric Acidcis-p-Coumaric acidME531610-C12621--
PentothenatePantothenic acidME531665-C00864--
PEPPhosphoenolpyruvic acidME531615-C00074--
PGEPGE2ME531710-C00584--
Phenylacetic AcidPhenylacetic acidME531572-C07086--
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME531685-C04148--
Phenyllactic AcidPhenyllactic acidME531612-C05607--
Phosphoadenosine Phosphosulfate-ME531733-C00053--
PhosphoserinePhosphoserineME531644-C01005--
Picolinic AcidPicolinic acidME531556-C10164--
PPAPhenylpyruvic acidME531608-C00166--
PRPPPhosphoribosyl pyrophosphateME531713-C00119--
PseudouridinePseudouridineME531675-C02067--
Pyridoxal-5-PPyridoxal 5'-phosphateME531678-C00018--
PyruvatePyruvic acidME531531-C00022--
Quinolinic AcidQuinolinic acidME531614-C03722--
Reduced GlutathioneGlutathioneME531697-C00051--
Retinoic AcidRetinoic acidME531693-C00777--
Ribose-5-PRibose 5-phosphateME531670-C00117--
Ribulose 5-PhosphateRibulose 5-phosphateME531671-C00199--
Sedoheptulose 7-PhosphateSedoheptulose 7-phosphateME531692-C05382--
Shikimic AcidShikimic acidME531622-C00493--
SorbitolSorbitolME531640-C00794--
Suberic AcidSuberic acidME531624-C08278--
SuccinateSuccinic acidME531550-C00042--
SucroseSucroseME531705-C00089--
Tauro-alpha/beta-Muricholic AcidTauromuricholic acidME531734-N/A--
TaurocholateTaurocholic acidME531735-C05122--
TetrahydrobiopterinSapropterinME531673-C00272--
TheophyllineTheophyllineME531639-C07130--
ThreitolThreitolME531554-C16884--
ThymidineThymidineME531674-C00214--
ThymineThymineME531557-C00178--
trans-Aconitatetrans-Aconitic acidME531621-C02341--
TTPdTTPME531729-C00459--
UDPUDPME531716-C00015--
UDP-GlcNAcUDP-N-acetylglucosamineME531738-C00043--
UDP-GlucoseUDP-glucoseME531737-C00029--
UracilUracilME531544-C00106--
UrateUric acidME531617-C00366--
Vanilmandelic AcidVanillylmandelic acidME531657-C05584--
XanthineXanthineME531590-C00385--
XanthosineXanthosineME531691-C01762--
Xanthurenic AcidXanthurenic acidME531661-C02470--
XylonateXylonic acidME531611-C05411--
XyloseXyloseME531586-C00181--


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