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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
13C5-15N-Glutamic acid-ME745941--6.362-
1-Methyladenosine1-MethyladenosineME745916--6.511-
1-Methylhistidine1-MethylhistidineME745917--6.93-
2/3-Aminoisobutyric acid/Dimethylglycine-ME745918--5.295-
2-Aminoadipic acidalpha-Aminoadipic acidME745919--6.839-
2-Aminobutyric acid2-Aminobutyric acidME745920--5.706-
2-DeoxyadenosineDeoxyadenosineME745921--2.585-
2-DeoxycytidineDeoxycytidineME745922--3.591-
2-deoxyguanosineDeoxyguanosineME745923--4-
2-DeoxyuridineDeoxyuridineME745924--2.289-
2-Phenylglycinol-ME745925--2.549-
2-Pyrrolidinone2-PyrrolidinoneME745926--1.62-
3-Aminobutyric acid3-Aminobutyric acidME745927--5.934-
3-hydroxyanthranilic acid3-Hydroxyanthranilic acidME745928--13.765-
3-hydroxykynurenineHydroxykynurenineME745929--1.102-
3-Indolepropionic acid3-Indolepropionic acidME745930--1.4-
3-NitrotyrosineNitrotyrosineME745931--4.801-
4-Aminobutyric acid4-Aminopentanoic acidME745932--6.596-
4-Aminophenol4-AminophenolME745933--5.184-
4-Imidazoleacetic acidImidazoleacetic acidME745934--5.497-
4-Pyridoxic acid4-Pyridoxic acidME745935--1.288-
5-Aminolevulinic acid5-Amino-levulinic acidME745936--6.232-
5-Hydroxytryptophan5-Hydroxy-tryptophanME745937--5.236-
5-Methylcytidine5-MethylcytidineME745938--3.932-
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME745939--4.337-
6-Methyl-DL-Tryptophan-ME745940--4.071-
AcetamideAcetamideME745942--5.05-
Acetohydroxamic acidAcetohydroxamic acidME745943--6.215-
AcetylcarnitineCAR 2:0ME745944--5.374-
AcetylcholineAcetylcholineME745945--3.439-
Acetyl-CoAAcetyl-CoAME745946--6-
AcetylcysteineN-AcetylcysteineME745947--2.555-
Acetylglucosamine-ME745948--4.505-
AcetylglycineN-AcetylglycineME745949--4.335-
Acetyl-L-glutamine-ME745950--4.651-
AcetylornithineN-AcetylornithineME745951--6.769-
AdenineAdenineME745952--2.755-
AdenosineAdenosineME745953--3.018-
Adenosyl-L-homocysteine-ME745954--6.875-
AdenylosuccinateAdenylsuccinic acidME745955--8.036-
ADPADPME745956--6.9-
ADP riboseADP-riboseME745957--6.02-
AgmatineAgmatineME745958--7.19-
AlanineAlanineME745959--6.14-
AllopurinolAllopurinolME745960--2.07-
AmilorideAmilorideME745961--4.192-
Amino valerate-ME745962--6.822-
AMPAMPME745963--6.544-
Anthranilic acid2-Aminobenzoic acidME745964--1.4-
ArginineArginineME745965--13.2-
AsparagineAsparagineME745966--6.813-
AspartateAspartic acidME745967--6.471-
ATPATPME745968--7.3-
BetaineBetaineME745969--4.791-
BiotinBiotinME745970--3.955-
CadaverineCadaverineME745971--6.506-
CaffeineCaffeineME745972--1.447-
CarnitineCarnitineME745973--6.337-
CarnosineCarnosineME745974--7.655-
cGMP3',5' cyclic GMPME745975--4.63-
CholineCholineME745976--6.2-
CitrullineCitrullineME745977--7.02-
CreatineCreatineME745978--6.204-
CreatinineCreatinineME745979--2.988-
CystamineCystamineME745980--9.759-
CysteineCysteineME745981--13.454-
CystineCystineME745982--7.98-
CytidineCytidineME745983--4.229-
CytosineCytosineME745984--3.445-
DCDPdCDPME745985--6.922-
DCTPdCTPME745986--7.5-
DecanoylcarnitineCAR 10:0ME745987--2.332-
Dihydrofolic acidDihydrofolic acidME745988--6.783-
DihydroxyacetoneDihydroxyacetoneME745989--1.734-
DimethylarginineDimethylarginineME745990--10.863-
DOPADOPAME745991--5.838-
DopamineDopamineME745992--4.015-
dTMPdTMPME745993--6.033-
dUTPdUTPME745994--7-
EpinephrineEpinephrineME745995--5.366-
Folic acidFolic acidME745996--6.806-
Folinic acidN5-Formyl-THFME745997--1.464-
GDPGDPME745998--7.255-
GlucosamineGlucosamineME745999--6.791-
Glucosamine 6-phosphateGlucosamine 6-phosphateME746000--5.7-
Glutamic acidGlutamic acidME746001--6.39-
GlutamineGlutamineME746002--6.673-
Glutathione oxidizedGlutathioneME746003--7.99-
Glutathione reducedGlutathioneME746004--6.823-
GlycineGlycineME746005--6.598-
GlycocyamineGuanidoacetic acidME746006--6.344-
GlycylprolineGly-ProME746007--6.701-
GuanineGuanineME746008--4.009-
GuanosineGuanosineME746009--4.616-
HIAA-ME746010--4.144-
Hippuric acidHippuric acidME746011--2.499-
HistamineHistamineME746012--8-
HistidineHistidineME746013--9-
HomocysteineHomocysteineME746014--8.604-
Homoserine/Threonine-ME746015--6.343-
Hydroxybutyryl coenzyme A-ME746016--6.954-
HydroxyprolineHydroxyprolineME746017--6.113-
HypoxanthineHypoxanthineME746018--2.938-
ImidazoleImidazoleME746019--1.826-
IndoleIndoleME746020--5.385-
Indole-3-acetic acidIndoleacetic acidME746021--6.193-
Indole-3-lactic acidIndole-3-lactic acidME746022--4.453-
Indole-3-pyruvic acidIndolepyruvateME746023--12.162-
InosineInosineME746024--3.794-
Isobutyryl-CoAIsobutyryl-CoAME746025--7-
IsoleucineIsoleucineME746026--4.697-
IsovalerylglycineIsovalerylglycineME746027--2.889-
Kynurenic acidKynurenic acidME746028--2.338-
KynurenineKynurenineME746029--4.483-
L-Alloisoleucine/Leucine/Norleucine-ME746030--4.468-
LysineLysineME746031--13.2-
MelatoninMelatoninME746032--1.307-
MetanephrineL-MetanephrineME746033--3.959-
MethionineMethionineME746034--4.923-
MethylguanidineMethylguanidineME746035--5.73-
MethylhistamineMethylhistamineME746036--4.879-
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME746038--4.387-
N-Acetyl-D-GlucosamineN-Acetyl-D-glucosamineME746039--4.542-
N-Acetylethanolamine-ME746040--1.915-
N-Acetylneuraminic acidN-Acetylneuraminic acidME746041--5.871-
NADNADME746042--6.987-
NADHNADHME746043--5.7-
NADPNADPME746044--7.43-
NADPHNADPHME746045--6.5-
NeopterinNeopterinME746046--5.621-
NicotinamideNiacinamideME746047--1.746-
Nicotinic acidNicotinic acidME746048--3.887-
Nicotinuric acidNicotinuric acidME746049--4.234-
N,N-Dicyclohexylurea-ME746037--1.239-
NormetanephrineNormetanephrineME746050--4.462-
NorvalineNorvalineME746051--5.019-
OrnithineOrnithineME746052--13-
Pantothenic acidPantothenic acidME746053--4.071-
PhenylalaninePhenylalanineME746054--4.373-
Phenylbutazone-ME746055--1.03-
PhosphocreatinePhosphocreatineME746056--1.674-
Picolinic acidPicolinic acidME746057--5.315-
Pipecolinic acidPipecolic acidME746058--5.405-
ProlineProlineME746059--5.408-
Propranolol-ME746060--2.516-
PutrescinePutrescineME746061--6.118-
PyridoxinePyridoxineME746062--2.1-
Pyroglutamic acidPyroglutamic acidME746063--4.675-
Quinolinic acidQuinolinic acidME746064--5.263-
SAICARSAICARME746065--6.947-
SarcosineSarcosineME746066--6.184-
SerineSerineME746067--6.824-
SerotoninSerotoninME746068--4.326-
Siacar-ME746069--6.947-
SpermidineSpermidineME746070--6.499-
TaurineTaurineME746071--5.223-
TetracaineTetracaineME746072--1.534-
ThreonineThreonineME746073--6.343-
TMAOTrimethylamine N-oxideME746074--6.187-
TryptamineTryptamineME746075--3.433-
TryptophanTryptophanME746076--4.437-
TyrosineTyrosineME746077--5.284-
UDP-GlcNAcUDP-N-acetylglucosamineME746078--6.21-
UracilUracilME746079--8.707-
UrateUric acidME746080--4.768-
UridineUridineME746081--2.95-
Urocanic acidUrocanic acidME746082--4.444-
ValineValineME746083--5.224-
XanthineXanthineME746084--3.415-
XanthosineXanthosineME746085--4.844-
Xanthurenic acidXanthurenic acidME746086--2-


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
13C3-LactateLactic acidME746112--4.325-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME746087--1.027-
2-Furoic acid2-Furoic acidME746088--1.76-
2HG2-Hydroxyglutaric acidME746089--5.49-
2-Hydroxybenzoic acidSalicylic acidME746090--1.215-
2-hydroxybutyric acid/Malonic acid-ME746091--5.87-
2-Hydroxyphenylacetic acid/3-Hydroxyphenylacetic a...-ME746092--1.28-
2-Ketobutyric acid3-Methyl pyruvic acidME746093--1.49-
2-Methylbutyric acid/Valeric acid-ME746094--1.693-
2-Methylglutaric acid2-Methylglutaric acidME746095--5.5-
3-Hexenedioic acid3-Hexenedioic acidME746096--6.042-
3-hydroxybutyric acid3-Hydroxybutyric acidME746097--4.264-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME746098--1.351-
3-Methyladipic acid3-Methyladipic acidME746099--5.464-
3-Phenyllactic acidPhenyllactic acidME746100--1.499-
3-Phosphoglyceric acid3-Phosphoglyceric acidME746101--6.796-
4-Hydroxy-3-methylbenzoic acid-ME746102--1.923-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME746103--1.301-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME746104--2.316-
4-Hydroxyphenylacetic acid/Mandelic acid-ME746105--1.907-
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME746106--1.273-
4-Methoxyphenylacetic acid4-Methoxyphenylacetic acidME746107--1.499-
4-Methyl-2-oxopentanoic acid/Ketoleucine/Ketoisole...-ME746108--1.368-
4-Methylvaleric acid/Hexanoic acid-ME746109--1.505-
6-Phosphogluconic acid6-Phosphogluconic acidME746110--13.882-
9-Octadecynoic acid-ME746111--1.188-
AcetoacetateAcetoacetic acidME746113--2.194-
Aconitic acidcis-Aconitic acidME746114--6.191-
Adipic acidAdipic acidME746115--6.025-
AdonitolRibitolME746116--4.149-
alpha-Ketoisovaleric acid/Maleic acid-ME746117--1.455-
alpha-KG-ME746118--4.99-
Azelaic acidAzelaic acidME746119--4.02-
belta-Hydroxyisovaleric acid-ME746120--2.132-
Benzoic acidBenzoic acidME746121--1.487-
Capric acidCapric acidME746122--1.261-
Caprylic acidCaprylic acidME746123--1.35-
Citraconic acidCitraconic acidME746124--1.487-
CitrateCitric acidME746125--7-
D-(+)-CellobioseCellobioseME746126--6.869-
D-Galacturonic acidGalacturonic acidME746127--6.662-
D-MannitolMannitolME746128--5.213-
D-Mannose 6-Phosphate (disodium salt hydrate)-ME746129--7.17-
DulcitolGalactitolME746130--5.294-
DUMPdUMPME746131--7.235-
D-Xylonic Acid (Lithium Salt)Xylonic acidME746132--5.218-
ErythroseErythroseME746133--4.519-
Ethylmalonic acidEthylmalonic acidME746134--3.282-
F16BP-ME746136--8.3-
F6P/G6PHexose 6-phosphateME746135--6.87-
Ferulic acidtrans-Ferulic acidME746137--1.512-
Fructose/Galactose-ME746138--4.716-
FumarateFumaric acidME746139--2.13-
G16BP-ME746141--8-
G1PGlucose 1-phosphateME746140--6.898-
GA3P-ME746142--5.87-
Galactinol DihydrateGalactinolME746143--8.318-
Galactonic acidGalactonic acidME746144--6.831-
Gentisic acidGentisic acidME746145--1.415-
Gibberellic acidGibberellin A3ME746146--1.559-
Gluconic acidGluconic acidME746147--6.9-
GlucoseGlucoseME746148--5.41-
Glucuronic acidGlucuronic acidME746149--6.493-
Glutaconic acidGlutaconic acidME746150--4.774-
Glutaric acidGlutaric acidME746151--6.179-
Glyceric acidGlyceric acidME746152--4.843-
Glycolic acidGlycolic acidME746153--5.35-
Glyoxylic acidGlyoxylic acidME746154--5.031-
Heptadecanoic acidMargaric acidME746155--1.154-
Homogentisic acidHomogentisic acidME746156--5.765-
Homovanillic acidHomovanillic acidME746157--2.268-
Isobutyric acidIsobutyric acidME746158--1.948-
IsoCitrateIsocitric acidME746159--6.4-
Isovaleric acidIsovaleric acidME746160--6.064-
LactateLactic acidME746163--4.1-
LactoseLactoseME746164--7.065-
L-(+)-ArabinoseLyxoseME746162--6.034-
L-(-)-ArabitolL-ArabitolME746161--4.335-
L-Ascorbic acidVitamin CME746165--3.027-
Lauric acidLauric acidME746166--1.224-
Leucic acidLeucinic acidME746167--1.994-
Levulinic acidLevulinic acidME746168--3.25-
MalateMalic acidME746169--5.87-
malonic acidMalonic acidME746170--4.306-
MannoseMannoseME746171--5.35-
m-Coumaric acidtrans-m-Coumaric acidME746172--1.499-
meso-Tartaric acidMeso-tartaric acidME746173--11-
Methyl alpha-D-glucopyranoside-ME746174--4.32-
Methyl-D-mannopyranoside-ME746176--3.044-
Methylmalonic acidMethylmalonic acidME746177--4.622-
Methyl succinateMethylsuccinic acidME746175--2.011-
Mucic acidGalactaric acidME746178--7.078-
Muconic acid3-Hexenedioic acidME746179--5.684-
MyoinositolMyo-inositolME746180--1.497-
Myristic acidMyristic acidME746181--1.189-
N-Acetylmuramic AcidN-Acetylmuramic acidME746182--3.895-
NaproxenNaproxenME746183--1.358-
Nonadecanoic acidNonadecylic acidME746184--1.12-
Oxaloacetic acidOxaloacetic acidME746185--6.772-
Palmitic acidPalmitic acidME746186--1.189-
p-Coumaric acidcis-p-Coumaric acidME746187--1.849-
Pentadecanoic acidPentadecylic acidME746188--1.189-
PEPPhosphoenolpyruvic acidME746189--6.06-
PGE2PGE2ME746190--1.474-
Phenylacetic acidPhenylacetic acidME746191--1.503-
Phenylglyoxylic acidPhenylglyoxylic acidME746192--1.315-
Phenylpyruvic acidPhenylpyruvic acidME746193--1.279-
Phthalic acidPhthalic acidME746194--2.38-
pregnenolone sulfatePregnenolone sulfateME746195--1.017-
Protocatechuic acidProtocatechuic acidME746196--1.731-
p-Tolylacetic acid/4-Ethylbenzoic acid-ME746197--1.501-
PyruvatePyruvic acidME746198--5.45-
R5PRibose 5-phosphateME746199--6.9-
RaffinoseRaffinoseME746200--7.912-
RiboseRiboseME746201--4.4-
Sebacic acidSebacic acidME746202--3.612-
Shikimic acidShikimic acidME746203--5.801-
SorbitolSorbitolME746204--5.223-
StachyoseHydrate (from Stachyse Tuberifera)-ME746205--8.96-
Stearic acidStearic acidME746206--1.137-
Suberic acidSuberic acidME746207--5.004-
SuccinateSuccinic acidME746208--4.83-
SucroseSucroseME746209--6.474-
Tartaric acidTartaric acidME746210--11-
ThymolThymolME746211--11.1-
TrehaloseTrehaloseME746212--7.014-
UDPUDPME746213--6.11-
Vanillic acidVanillic acidME746214--2-
Vitamin D3Vitamin D3ME746215--2-
X5P-ME746216--5.2-
XylitolXylitolME746217--4.39-
XyloseXyloseME746218--4.32-


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