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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-ME544982----
10C13-Phenylalanine-ME544983----
10C13-Tyrosine-ME544984----
11C13-Uridine-ME544985----
13C13-TryptophanTryptophanME544986----
1/3-Methylhistidine3-MethylhistidineME544902-C01152--
1,7-DimethylxanthineParaxanthineME544912-C13747--
1-Methyladenosine1-MethyladenosineME544953-C02494--
1-MethylguanidineMethylguanidineME544830-C02294--
1-Methylhistamine1-MethylhistamineME544859-C05127--
1-Methylimidazole AcetateMethylimidazoleacetic acidME544880-C05828--
1-Methylnicotinamide1-Methyl nicotinamideME544876-C02918--
2,3-Diphosphoglyceric Acid2,3-Diphosphoglyceric acidME544948-C01159--
2-Aminoisobutyric AcidAminoisobutyric acidME544843-C03665--
2C13-Choline-ME544987----
2C13-Glutamic acid-ME544988----
2C13-Tyrosine-ME544989----
2'-DeoxycytidineDeoxycytidineME544934-C00881--
2'-DeoxyuridineDeoxyuridineME544935-C00526--
3-Aminoisobutyrate3-Aminoisobutanoic acidME544839-C03284--
3C13-Glycine-ME544990----
3-Indolebutyric Acid3-Indolebutyric acidME544927-C11284--
4-Aminobenzoic Acidp-Aminobenzoic acidME544878-C00568--
4C13-Alanine-ME544991----
4C13-Serine-ME544992----
4-Guanidinobutanoate4-Guanidinobutanoic acidME544883-C01035--
5,6-DihydrothymineDihydrothymineME544861-C00906--
5,6-DihydrouracilDihydrouracilME544849-C00429--
5-Aminovaleric Acid5-Aminopentanoic acidME544851-C00431--
5C13-Aspartic Acid-ME544993----
5C13-Threonine-ME544994----
5-Methylcytidine5-MethylcytidineME544944-N/A--
5'-Methylthioadenosine5'-MethylthioadenosineME544959-C00170--
6C13-Asparagine-ME544995----
6C13-Glutamic acid-ME544996----
6C13-Methionine-ME544997----
6C13-Proline-ME544998----
6C13-Valine-ME544999----
6-MethyladenosineN6-MethyladenosineME544954-N/A--
7C13-Glutamine-ME545000----
7C13-iso-Leucine-ME545001----
7C13-Leucine-ME545002----
7-Methylguanine7-MethylguanineME544898-C02242--
8C13-Cystine-ME545003----
8C13-Lysine-ME545004----
9C13-Histidine-ME545005----
AcetylcarnitineCAR 2:0ME544928-C02571--
AcetylcholineAcetylcholineME544884-C01996--
AdenosineAdenosineME544950-C00212--
AdenosylcobalaminAdenosylcobalaminME544980-C00194--
AgmatineAgmatineME544864-C00179--
AlanineAlanineME544835-C00041--
AminoacetoneAminoacetoneME544829-C01888--
Aminolevulinate5-Amino-levulinic acidME544868-C00430--
AnserineAnserineME544937-C01262--
ArginineArginineME544905-C00062--
ArgininosuccinateArgininosuccinic acidME544958-C03406--
AsparagineAsparagineME544872-C00152--
Aspartic AcidAspartic acidME544873-C00049--
betaAlaninebeta-AlanineME544834-C00099--
BetaineBetaineME544852-C00719--
Betaine AldehydeBetaine aldehydeME544837-C00576--
BiliverdinBiliverdinME544973-C00500--
BiopterinBiopterinME544936-C06313--
CadaverineCadaverineME544838-C01672--
CaffeineCaffeineME544921-C07481--
cAMP3',5' cyclic AMPME544962-C00575--
CarnitineCarnitineME544895-C00487--
CarnosineCarnosineME544933-C00386--
CDPCDPME544969-C00112--
CholecalciferolVitamin D3ME544966-C05443--
CholineCholineME544840-C00114--
CotinineCotinineME544907-N/A--
CreatineCreatineME544866-C00300--
CreatinineCreatinineME544848-C00791--
Cyanocobalamin (Vitamin B12)CyanocobalaminME544976-C02823--
CystamineCystamineME544891-N/A--
CysteineCysteineME544856-C00097--
Cysteinyl-Glycine (Cys-Gly)Cys-GlyME544908-C01419--
CystineCystineME544938-C00491--
CytidineCytidineME544939-C00475--
CytosineCytosineME544846-C00380--
d3-Creatinine-ME545006----
Deoxycarnitine3-DehydroxycarnitineME544887-C01181--
DeoxyguanosineDeoxyguanosineME544949-C00330--
Dimethylarginine (A/SDMA)DimethylarginineME544925-C03626--
DimethylglycineDimethylglycineME544841-C01026--
DL DOPADOPAME544923-C00355--
EpinephrineEpinephrineME544914-C00788--
ErgocalciferolVitamin D2ME544967-C05441--
EthanolamineEthanolamineME544828-C00189--
FADFADME544979-C00016--
Folic AcidFolic acidME544971-C00504--
GluconolactoneGluconolactoneME544909-C00198--
GlucosamineGlucosamineME544910-C00329--
Glutamic acidGlutamic acidME544888-C00025--
GlutamineGlutamineME544885-C00064--
GlutarylcarnitineCAR DC5:0ME544952-N/A--
Glycerophosphocholinesn-Glycero-3-phosphocholineME544943-C00670--
GlycineGlycineME544831-C00037--
GMPGMPME544963-C00144--
GuanineGuanineME544890-C00242--
GuanosineGuanosineME544955-C00387--
HistamineHistamineME544847-C00388--
HistidineHistidineME544892-C00135--
HomoarginineHomoarginineME544918-C01924--
HomocitrullineHomocitrullineME544920-C02427--
HomocysteineHomocysteineME544874-C00155--
HydroxyprolineHydroxyprolineME544867-C01157--
HypotaurineHypotaurineME544845-C00519--
Imidazoleacetic AcidImidazoleacetic acidME544860-C02835--
Imidazole PropionateImidazole propanoateME544881-C20522--
IndoleIndoleME544854-C00463--
InosineInosineME544951-C00294--
iso-Leucine /allo-isoLeucine-ME544870-C00407/C21096--
isoValerylcarnitineCAR 4:0;3MeME544941-C20826--
L-2-Aminobutyric Acid2S-Aminobutyric acidME544842-C02356--
Leucine /D-NorleucineLeucineME544869-C00123--
L-KynurenineKynurenineME544930-C00328--
LysineLysineME544886-C00047--
MethionineMethionineME544889-C00073--
Methionine SulfoxideMethionine sulfoxideME544897-C02989--
MethylcobalaminMethylcobalaminME544975-C06453--
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME544960-N/A--
N6-Acetyl-LysineN6-AcetyllysineME544917-C02727--
N6-TrimethyllysineN-6-TrimethyllysineME544919-C03793--
N-Ac-Arginine-ME544932-N/A--
N-AcetylornithineN-AcetylornithineME544906-C00437--
N-AcetylputrescineN-AcetylputrescineME544865-C02714--
NADNADME544974-C00003--
NADPHNADPHME544977-C00005--
NeopterinNeopterinME544942-C05926--
n-GlycylprolineGly-ProME544904-N/A--
NiacinamideNiacinamideME544857-C00153--
NorepinephrineNorepinephrineME544903-C00547--
NormetanephrineNormetanephrineME544899-C05589--
OrnithineOrnithineME544871-C01602--
PhenylalaninePhenylalanineME544896-C00079--
PhosphocreatinePhosphocreatineME544931-C02305--
PhosphorylcholineCholine phosphateME544916-C00588--
PhosphotyrosineO-PhosphotyrosineME544945-C06501--
PipecolatePipecolic acidME544863-C00408--
ProlineProlineME544850-C00148--
PutrescinePutrescineME544833-C00134--
PyridoxaminePyridoxamineME544901-C00534--
Pyroglutamic AcidPyroglutamic acidME544862-C01879--
RetinalRetinalME544956-C00376--
RetinolRetinolME544957-C19962--
RiboflavinRiboflavinME544964-C00255--
S-Adenosylmethionine (SAM)S-AdenosylmethionineME544968-C00019--
SAHS-AdenosylhomocysteineME544965-C00021--
SalicylurateSalicyluric acidME544922-C07588--
SarcosineSarcosineME544836-C00213--
SelenomethionineSelenomethionineME544924-C05335--
Se-MethylselenocysteineSe-MethylselenocysteineME544915-C05689--
SerineSerineME544844-C00065--
SerotoninSerotoninME544893-C00780--
S-MethylcysteineMethylcysteineME544875-C22040--
SpermidineSpermidineME544882-C00315--
SpermineSpermineME544926-C00750--
SuccinylcarnitineCAR DC4:0ME544946-N/A--
TaurineTaurineME544858-C00245--
TaurocyamineTaurocyamineME544900-C01959--
TheobromineTheobromineME544911-C07480--
ThiamineThiamineME544947-C00378--
Thiamine pyrophosphateThiamine diphosphateME544970-C00068--
ThreonineThreonineME544855-C00188--
ThyroxineThyroxineME544978-C01829--
TrigonellineTrigonellineME544879-C01004--
Trimethylamine-N-Oxide (TMAO)Trimethylamine N-oxideME544832-C01104--
Trimethylamine (TMA)TrimethylamineME544827-C00565--
TryptamineTryptamineME544894-C00398--
TryptophanTryptophanME544929-C00078--
TyramineTyramineME544877-C00483--
TyrosineTyrosineME544913-C00082--
UbiquinolCoenzyme Q10ME544981-C11378--
UMPUMPME544961-C00105--
UridineUridineME544940-C00299--
ValineValineME544853-C00183--
Vitamin K1Vitamin K1ME544972-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-ME545108----
2,3-Dihydroxybenzoic Acid2-Pyrocatechuic acidME545077-C00196--
2/3-Phosphoglyceric Acid-ME545124-C00197/C00597--
2-Aminoadipatealpha-Aminoadipic acidME545082-C00956--
2-Hydroxyglutarate2-Hydroxyglutaric acidME545061-C02630--
2-Hydroxyisobutyrate/2-Hydroxybutyrate-ME545019-N/A--
2-Hydroxyisovaleric Acid2-Hydroxy-3-methylbutyric acidME545027-N/A--
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME545069-C01983--
2-isoPropylmalic Acid2-Isopropylmalic acidME545107-C02504--
2-Methylglutaric Acid2-Methylglutaric acidME545059-N/A--
2N15-Urate-ME545097----
2N15-Xanthine-ME545075----
2-Oxobutyrate3-Methyl pyruvic acidME545015-C00109--
2-oxo-Isocaproic AcidKetoleucineME545037-C00233--
3/4-Hydroxyphenylacetic Acid-ME545072-C05593/C00642--
3-(4-Hydroxyphenyl)PropionateDesaminotyrosineME545091-C01744--
3C13-Lactate-ME545013----
3HBA3-Hydroxybutyric acidME545018-C01089--
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME545073-C00632--
3-Hydroxycinnaminic Acidcis-p-Coumaric acidME545087-C00811--
3-Hydroxyisovaleric Acid3-Hydroxyisovaleric acidME545030-C20827--
3-Hydroxypropionic AcidHydroxypropionic acidME545012-C01013--
3-Indoxyl SulfateIndoxyl sulfateME545142-N/A--
3-isoPropylmalic Acid-ME545109-C04411--
3-Methyl-3-Hydroxyglutaric Acid3-Hydroxymethylglutaric acidME545085-C03761--
3-Sulfinoanaline3-Sulfino-alanineME545076-C00606--
4C13-3HBA-ME545021----
4C13-Pentothenate-ME545146----
4-Hydroxy-3-Nitrophenylacetate-ME545134-N/A--
4-Hydroxybenzoic Acid4-Hydroxybenzoic acidME545053-C00156--
4-Pyridoxic Acid4-Pyridoxic acidME545121-C00847--
5-Hydroxyl-Indole-3-Acetic Acid5-Hydroxyindoleacetic acidME545130-C05635--
5-Hydroxymethyl-2'-Deoxyuridine-ME545159-N/A--
5-MethyluridineRibothymidineME545158-N/A--
6C13-Glucose-ME545123----
6-Phosphogluconic Acid6-Phosphogluconic acidME545166-C00345--
AcetylphosphateAcetylphosphateME545054-C00227--
AdenineAdenineME545047-C00147--
AdenylosuccinateAdenylsuccinic acidME545202-C03794--
Adipic Acid / 3-Methylglutaric Acid-ME545057-C06104/NA--
ADPADPME545198-C00008--
AllantoinAllantoinME545080-C01551--
AllopurinolAllopurinolME545048-D00224--
Alpha-Ketoglutaric Acid2-Oxoglutaric acidME545058-C00026--
alpha-Ketophenylacetic AcidPhenylglyoxylic acidME545065-C02137--
alpha-Tocopherolalpha-TocopherolME545199-C02477--
AMPAMPME545186-C00020--
Anthranilic Acid2-Aminobenzoic acidME545052-C00108--
Arabitol/XylitolArabitolME545071-C01904--
ArachidonateArachidonic acidME545173-C00219--
Ascorbic Acid (Vit. C)Vitamin CME545106-C00072--
ATPATPME545210-C00002--
Azelaic AcidAzelaic acidME545125-C08261--
beta-Muricholic Acidbeta-Muricholic acidME545195-C17726--
BiotinBiotinME545154-C00120--
cGMP3',5' cyclic GMPME545184-C00942--
ChenodeoxycholateChenodeoxycholic acidME545193-C02528--
Cholesteryl SulfateCholesterol sulfateME545204-C18043--
Cholic AcidCholic acidME545196-C00695--
cis-Aconitatecis-Aconitic acidME545101-C00417--
Citraconic AcidCitraconic acidME545036-C02226--
Citramalic AcidCitramalic acidME545062-C00815--
Citric AcidCitric acidME545132-C00158--
CitrullineCitrullineME545104-C00327--
CMPCMPME545180-C00055--
CortisolCortisolME545189-C00735--
CTPCTPME545208-C00063--
CystathionineCystathionineME545144-C02291--
Cysteine-S-SulfateCysteine-S-sulfateME545137-C05824--
DATPdATPME545209-C00131--
DCDPdCDPME545190-C00705--
DCMPdCMPME545174-C00239--
dCTPdCTPME545205-C00458--
Deoxycholic AcidDeoxycholic acidME545192-C04483--
DHAP/D-GA3PDihydroxyacetone phosphateME545096-C00111--
D-Leucic AcidD-Leucic acidME545041-C03264--
DopamineDopamineME545074-C03758--
DTMPdTMPME545179-C00364--
DUMPdUMPME545176-C00365--
DUTPdUTPME545206-C00460--
Erythronic/Threonic AcidThreonic acidME545051-NA/C01620--
ErythroseErythroseME545031-C01796--
Erythrose-4-PhosphateErythrose 4-phosphateME545136-C00279--
Ethylmalonic acidEthylmalonic acidME545044-N/A--
F16BP/F26BP/G16BP-ME545181-C00665/C00354/C01231--
FructoseFructoseME545115-C00095--
Fumaric AcidFumaric acidME545023-C00122--
G1P/F1P/F6P-ME545162-C01094/C00085/C00103--
G6PGlucose 6-phosphateME545161-C00092--
gamma-Aminobutyrategamma-Aminobutyric acidME545016-C00334--
gamma-Tocopherolgamma-TocopherolME545197-C02483--
GDPGDPME545200-C00035--
GentisateGentisic acidME545078-C00628--
Geranyl PyrophosphateGeranyl diphosphateME545178-C00341--
GibberellinGibberellin A3ME545185-C01699--
GlucoronateGlucuronic acidME545133-C00191--
Glucosamine-6-PhosphateGlucosamine 6-phosphateME545160-C00352--
GlucoseGlucoseME545113-C00031--
Glutaric AcidGlutaric acidME545042-C00489--
GlyceraldehydeGlyceraldehydeME545011-C00577--
GlycerateGlyceric acidME545020-C00258--
Glycerol-3-Psn-Glycero-3-phosphateME545098-C00093--
GlycochenodeoxycholateGlycochenodeoxycholic acidME545201-C05466--
GlycocholateGlycocholic acidME545203-C01921--
Glycolic acidGlycolic acidME545008-C00160--
GTPGTPME545214-C00044--
GuanidinoacetateGuanidoacetic acidME545026-C00581--
Hippuric AcidHippuric acidME545111-C01586--
HomogentisateHomogentisic acidME545094-C00544--
HomovanilateHomovanillic acidME545119-C05582--
Hydrocinnamic AcidHydrocinnamic acidME545066-C05629--
HypoxanthineHypoxanthineME545049-C00262--
IMPIMPME545187-C00130--
Indole-2-Carboxylic Acid-ME545084-N/A--
Indole-3-Acetic AcidIndoleacetic acidME545103-C00954--
Indole-3-Carboxylic AcidIndole-3-carboxylic acidME545083-C19837--
Indole-3-LactateIndolelactic acidME545140-C02043--
Indole-3-Propionate3-Indolepropionic acidME545129-N/A--
IndolePyruvateIndolepyruvateME545138-C00331--
InositolInositolME545112-C00137--
isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate-ME545014-C5H10O2/C4H6O3/C4H6O3--
Itaconic AcidItaconic acidME545038-C00490--
Kynurenic AcidKynurenic acidME545127-C01717--
LactateLactic acidME545010-C00186--
Lactose/TrehaloseLactoseME545182-C00243--
Linoleic AcidLinoleic acidME545168-C01595--
Linolenic AcidOctadecatrienoic acidME545167-C06427--
L-Mandelic AcidMandelic acidME545070-C01984--
L-Tartaric AcidTartaric acidME545063-C00898--
MalateMalic acidME545046-C00149--
Maleic AcidMaleic acidME545024-C01384--
MalondialdehydeMalondialdehydeME545007-C19440--
Malonic AcidMalonic acidME545017-C00383--
MannitolMannitolME545120-C00392--
MannoseMannoseME545114-C00159--
Margaric AcidMargaric acidME545165-N/A--
MelatoninMelatoninME545150-C01598--
MethylmalonateMethylmalonic acidME545029-C02170--
MethylSuccinateMethylsuccinic acidME545040-N/A--
MevalonateMevalonic acidME545060-C00418--
MOPEG Sulfate-ME545164-N/A--
Myristic AcidMyristic acidME545147-C06424--
N-Ac-AlanineN-AcetylalanineME545039-N/A--
N-Acetyl-Aspartate (NAA)N-Acetylaspartic acidME545105-C01042--
N-Acetyl-Aspartyl-Glutamate (NAAG)N-Acetyl-Asp-GluME545172-C12270--
N-AcetylGlycineN-AcetylglycineME545025-N/A--
N-AcetylneuraminateN-Acetylneuraminic acidME545177-C00270--
N-Ac-GlutamateN-Acetylglutamic acidME545128-C00624--
N-Ac-L-GlutamineN-AcetylglutamineME545126-N/A--
N-Ac-MethionineN-AcetylmethionineME545131-C02712--
N-Ac-PhenylalanineN-AcetylphenylalanineME545141-C03519--
N-Ac-Tryptophan-ME545155-N/A--
N-Ac-TyrosineN-AcetyltyrosineME545145-C01657--
NADHNADHME545218-C00004--
NADPNADPME545219-C00006--
N-Carbamoyl-B-AlanineUreidopropionic acidME545045-C02642--
n-FormylmethionineN-FormylmethionineME545110-C03145--
Nicotinic AcidNicotinic acidME545033-C00253--
n-isoButyrylglycineIsobutyrylglycineME545056-N/A--
n-isoValerylglycineIsovalerylglycineME545081-N/A--
OH-Phenylpyruvate4-Hydroxyphenylpyruvic acidME545116-C01179--
o-PhosphoethanolaminePhosphoethanolamineME545055-C00346--
OrotateOrotic acidME545079-C00295--
OxalacetateOxaloacetic acidME545043-C00036--
Oxidized GlutathioneOxidized glutathioneME545217-C00127--
OxypurinolOxypurinolME545067-C07599--
Palmitic AcidPalmitic acidME545157-C00249--
p-Coumaric Acidcis-p-Coumaric acidME545088-C12621--
PentothenatePantothenic acidME545143-C00864--
PEPPhosphoenolpyruvic acidME545093-C00074--
PGEPGE2ME545188-C00584--
Phenylacetic AcidPhenylacetic acidME545050-C07086--
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME545163-C04148--
Phenyllactic AcidPhenyllactic acidME545090-C05607--
Phosphoadenosine Phosphosulfate-ME545211-C00053--
PhosphoserinePhosphoserineME545122-C01005--
Picolinic AcidPicolinic acidME545034-C10164--
PPAPhenylpyruvic acidME545086-C00166--
PRPPPhosphoribosyl pyrophosphateME545191-C00119--
PseudouridinePseudouridineME545153-C02067--
Pyridoxal-5-PPyridoxal 5'-phosphateME545156-C00018--
PyruvatePyruvic acidME545009-C00022--
Quinolinic AcidQuinolinic acidME545092-C03722--
Reduced GlutathioneGlutathioneME545175-C00051--
Retinoic AcidRetinoic acidME545171-C00777--
Ribose-5-PRibose 5-phosphateME545148-C00117--
Ribulose 5-PhosphateRibulose 5-phosphateME545149-C00199--
Sedoheptulose 7-PhosphateSedoheptulose 7-phosphateME545170-C05382--
Shikimic AcidShikimic acidME545100-C00493--
SorbitolSorbitolME545118-C00794--
Suberic AcidSuberic acidME545102-C08278--
SuccinateSuccinic acidME545028-C00042--
SucroseSucroseME545183-C00089--
Tauro-alpha/beta-Muricholic AcidTauromuricholic acidME545212-N/A--
TaurocholateTaurocholic acidME545213-C05122--
TetrahydrobiopterinSapropterinME545151-C00272--
TheophyllineTheophyllineME545117-C07130--
ThreitolThreitolME545032-C16884--
ThymidineThymidineME545152-C00214--
ThymineThymineME545035-C00178--
trans-Aconitatetrans-Aconitic acidME545099-C02341--
TTPdTTPME545207-C00459--
UDPUDPME545194-C00015--
UDP-GlcNAcUDP-N-acetylglucosamineME545216-C00043--
UDP-GlucoseUDP-glucoseME545215-C00029--
UracilUracilME545022-C00106--
UrateUric acidME545095-C00366--
Vanilmandelic AcidVanillylmandelic acidME545135-C05584--
XanthineXanthineME545068-C00385--
XanthosineXanthosineME545169-C01762--
Xanthurenic AcidXanthurenic acidME545139-C02470--
XylonateXylonic acidME545089-C05411--
XyloseXyloseME545064-C00181--


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