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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
cyclohexylamineCyclohexylamineME584860--6.43100.112
cadaverineCadaverineME584852--9.31103.123
dimethylglycineDimethylglycineME584864--8.47104.0706
GABAgamma-Aminobutyric acidME584866--7.54104.0706
cholineCholineME584856--8.26104.1069
serineSerineME584936--7.62106.0499
cytosineCytosineME584862--6.14112.0506
histamineHistamineME584873--9.23112.087
creatinineCreatinineME584859--6.44114.0664
prolineProlineME584927--8.05116.0707
guanidinoacetic acidGuanidoacetic acidME584870--7.83118.0613
betaineBetaineME584850--8.9118.0863
valineValineME584950--7.37118.0863
threonineThreonineME584942--7.56120.0658
niacinamideNiacinamideME584914--3.69123.0556
nicotinateNicotinic acidME584915--3.69124.0373
taurineTaurineME584940--6.06126.0221
5-methylcytosine5-MethylcytosineME584834--6.25126.0663
valine-d8ValineME584815--7.39126.1366
imidazoleacetic acidImidazoleacetic acidME584879--8.03127.0503
pyroglutamic acidPyroglutamic acidME584933--6.56130.0499
pipecolic acidPipecolic acidME584924--7.94130.0863
N-acetylputrescineN-AcetylputrescineME584909--7.9131.1179
agmatineAgmatineME584840--9.16131.1291
N-acetylalanineN-AcetylalanineME584901--3.88132.0655
hydroxyprolineHydroxyprolineME584878--7.84132.0656
creatineCreatineME584858--8.27132.0767
isoleucineIsoleucineME584881--7.06132.1018
leucineLeucineME584884--6.93132.1018
asparagineAsparagineME584847--7.86133.0607
N-carbamoyl-beta-alanineUreidopropionic acidME584913--4.1133.0608
ornithineOrnithineME584918--9.24133.0971
aspartateAspartic acidME584848--7.82134.0448
allopurinolAllopurinolME584842--3.69137.0456
anthranilic acid2-Aminobenzoic acidME584845--1.86138.0548
trigonellineTrigonellineME584944--8.8138.0548
tyramineTyramineME584947--6.3138.0912
urocanic acidUrocanic acidME584949--4.52139.0501
histidinolL-HistidinolME584875--9.08142.0974
ectoineEctoineME584865--8.84143.0814
proline-betaineProline betaineME584928--9.17144.1018
4-acetamidobutanoate4-Acetamidobutanoic acidME584827--3.34146.081
4-guanidinobutanoic acid4-Guanidinobutanoic acidME584828--7.26146.0923
acetylcholineAcetylcholineME584836--7.74146.1174
butyrobetaine3-DehydroxycarnitineME584851--8.74146.1174
spermidineSpermidineME584939--11.35146.1652
glutamineGlutamineME584868--8.04147.0763
lysineLysineME584887--9.32147.1126
glutamateGlutamic acidME584867--7.58148.0603
N-acetylserineN-AcetylserineME584910--5.59148.0603
methionineMethionineME584888--7.01150.0582
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME584938--8.63152.0385
6-mercaptopurine-ME584816--2.91153.0228
xanthineXanthineME584951--3.65153.0406
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME584895--4.2153.0657
histidineHistidineME584874--9.23156.0767
tryptamineTryptamineME584945--6.13161.1072
N6-methyllysineN(6)-MethyllysineME584897--9.67161.1284
carnitineCarnitineME584853--8.78162.1124
pterinPterinME584930--4.71164.0566
methionine sulfoxideMethionine sulfoxideME584889--8.57166.0532
7-methylguanine7-MethylguanineME584835--5.73166.0723
phenylalaninePhenylalanineME584922--6.69166.0861
3-methoxyanthranilate3-Methoxyanthranilic acidME584824--1.76168.0655
3-methoxytyramine3-MethoxytyramineME584825--6.36168.1019
pyridoxinePyridoxineME584932--6.03170.0811
1-methylhistidine1-MethylhistidineME584820--10.06170.0924
3-methylhistidine3-MethylhistidineME584826--9.84170.0924
progesteroneProgesteroneME584925--8.68173.0921
pro-glyPro-GlyME584926--8.24173.0921
N-acetylleucineN-AcetylleucineME584905--2.91174.1125
phenylalanine-d8PhenylalanineME584814--6.72174.1364
1H-indole-3cetamide-ME584818--2.39175.0866
N-acetylornithineN-AcetylornithineME584907--8.45175.1077
arginineArginineME584846--9.12175.1188
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME584898--10.25175.1441
N-acetylaspartic acidN-Acetylaspartic acidME584902--4.21176.0554
citrullineCitrullineME584857--8.3176.103
serotoninSerotoninME584937--6.44177.1022
5-hydroxytryptophol5-HydroxytryptopholME584831--1.99178.0863
hippurateHippuric acidME584872--2.55180.0655
nicotinuric acidNicotinuric acidME584916--5.95181.0608
tyrosineTyrosineME584948--6.79182.0812
4-pyridoxate4-Pyridoxic acidME584829--4.2184.0604
phosphocholineCholine phosphateME584923--12.02184.0734
N1-acetylspermidineN1-AcetylspermidineME584893--9.87188.1758
N-acetylglutamineN-AcetylglutamineME584903--6.92189.087
leu-glyLeu-GlyME584885--7.47189.1234
N6-acetyllysineN6-AcetyllysineME584900--8.32189.1234
homoarginineHomoarginineME584876--9.18189.1346
NMMATarginineME584917--9.33189.1346
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME584899--11.23189.1598
kynurenic acidKynurenic acidME584882--5.24190.0499
homocitrullineHomocitrullineME584877--8.29190.1186
N-acetylmethionineN-AcetylmethionineME584906--3.48192.0689
5-methoxytryptophol5-MethoxytryptopholME584832--1.98192.1019
N-acetylhistidineN-AcetylhistidineME584904--8.3198.085
ADMADimethylarginineME584839--9.74203.1503
SDMASymmetric dimethylarginineME584935--9.62203.1504
C2 carnitineCAR 2:0ME584854--8.64204.1231
tryptophanTryptophanME584946--6.5205.0971
N-acetylphenylalanineN-AcetylphenylalanineME584908--3.18208.0969
dethiobiotinDethiobiotinME584863--3.57215.139
N-alpha-acetylargininePelargonidinME584912--8.14217.1294
C3 carnitineCAR 3:0ME584855--8.3218.1387
O-succinyl homoserineo-SuccinylhomoserineME584919--8.18220.0815
pantothenatePantothenic acidME584920--3.11220.1179
5-hydroxytryptophan5-Hydroxy-tryptophanME584830--6.69221.092
acetyl-galactosamineN-AcetylgalactosamineME584837--5.32222.0972
myristoleateMyristoleic acidME584892--1.75227.2005
2-deoxycytidineDeoxycytidineME584822--5.96228.0979
thymidineThymidineME584943--2.79243.0975
cytidineCytidineME584861--5.83244.0927
pseudouridinePseudouridineME584929--4.12245.0767
N1-acetylspermineN1-AcetylspermineME584894--11.28245.2335
N-acetyltryptophanN-Acetyl-tryptophanME584911--2.96247.1077
2-deoxyadenosineDeoxyadenosineME584821--5.17252.109
5-methylcytidine5-MethylcytidineME584833--5.97258.1083
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME584844--10.39258.1097
thiamineThiamineME584941--9.7265.1115
phenylacetylglutaminealpha-N-PhenylacetylglutamineME584921--4.67265.1182
atenololAtenololME584849--6.79267.1702
adenosineAdenosineME584838--4.98268.1036
inosineInosineME584880--4.84269.0878
allopurinol ribosideAllopurinol ribosideME584843--4.11269.0879
L-alpha-glutamyl-L-lysineGlu-LysME584883--9.29276.1551
azathioprineAzathioprineME584817--2.74278.0452
guanosineGuanosineME584871--5.26284.0986
xanthosineXanthosineME584952--4.32285.0827
methylthioadenosineMethylthioadenosineME584891--4.21298.0965
1-methylguanosine1-MethylguanosineME584819--5.07298.1143
2-methylguanosine2-MethylguanosineME584823--5.24298.1143
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME584896--5.32312.1299
linoleoyl ethanolamideLinoleoyl-EAME584886--1.96324.2894
S-adenosylhomocysteineS-AdenosylhomocysteineME584934--8.08385.1285
methylguanidineMethylguanidineME584890--6.7874.0713
glycineGlycineME584869--7.8876.0393
putrescinePutrescineME584931--9.3389.1073
alanineAlanineME584841--7.7690.055


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
isovalerate/valerate/methylbutyrate-ME585010--3.64101.0608
2-aminobutyrate2-Aminobutyric acidME584959--3102.056
malonateMalonic acidME585014--7.05103.0037
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...-ME584975--3.77103.0401
glycerateGlyceric acidME584999--4.19105.0195
uracilUracilME585044--1.55111.02
fumarate/maleateFumaric acidME584993--6.72115.0037
methylmalonateMethylmalonic acidME585017--7.02117.0193
succinateSuccinic acidME585036--6.82117.0193
2-hydroxy-3-methylbutyrate2-Hydroxy-3-methylbutyric acidME584961--3.58117.0557
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME584967--2.51121.0295
threitolThreitolME585040--1.57121.0506
nicotinateNicotinic acidME585020--4.06122.0247
thymineThymineME585041--1.34125.0359
itaconateItaconic acidME585011--6.95129.0193
mesaconateMesaconic acidME585016--6.79129.0193
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...-ME584976--3.34129.0557
thymine-d4ThymineME584953--1.35129.0611
2-hydroxy-3-methylpentanoate/hydroxyisocaproate-ME584962--3.51131.0716
aspartateAspartic acidME584979--5.1132.0305
malateMalic acidME585013--6.9133.0145
adenineAdenineME584970--2.25134.0472
erythronate/threonate-ME584989--4.21135.0302
hypoxanthineHypoxanthineME585007--3.21135.0316
3-methylglutaconate3E-Methylglutaconic acidME584965--7.26143.035
2-aminoheptanoate2-Aminoheptanoic acidME584960--2.49144.103
adipate/methylglutarate-ME584971--6.63145.051
glutamateGlutamic acidME584997--5.06146.0462
2-hydroxyglutarate2-Hydroxyglutaric acidME584963--6.85147.0299
guanineGuanineME585002--2.77150.0421
6-mercaptopurine-ME584956--4.67151.0084
xanthineXanthineME585047--4.83151.0262
adonitol/arabitol-ME584972--1.68151.0615
gentisateGentisic acidME584995--4.64153.0193
orotateOrotic acidME585022--4.51155.0098
3-methyladipate/pimelate-ME584964--6.66159.0663
2-aminoadipatealpha-Aminoadipic acidME584958--5.18160.0615
anhydroDglucose/3-hydroxymethylglutarate-ME584978--6.69161.0459
quinolinateQuinolinic acidME585030--7.31166.0146
PEPPhosphoenolpyruvic acidME585026--9.45166.9751
urateUric acidME585045--5.13167.0214
norepinephrineNorepinephrineME585021--2.22168.067
alpha-glycerophosphatesn-Glycero-3-phosphateME584974--7.14171.0064
aconitatetrans-Aconitic acidME584969--8.66173.0092
suberateSuberic acidME585035--6.71173.0819
hippurateHippuric acidME585005--3.87178.051
fructose/glucose/galactose_aHexoseME584991--2.61179.0565
fructose/glucose/galactose_bHexoseME584992--2.09179.0566
homovanillateHomovanillic acidME585006--4.37181.0506
sorbitolSorbitolME585034--1.99181.0723
4-pyridoxate4-Pyridoxic acidME584968--3.75182.0459
3-phosphoglycerate3-Phosphoglyceric acidME584966--8.99184.9857
N-acetylglutamateN-Acetylglutamic acidME585019--6.59188.057
citrate/isocitrateCitric acid/Isocitric acidME584983--8.74191.0197
quinateQuinic acidME585029--4.25191.0567
glucuronateGlucuronic acidME584996--4.62193.0354
salicylurateSalicyluric acidME585032--6.09194.0459
erythrose-4-phosphateErythrose 4-phosphateME584990--6.72199.0013
sebacateSebacic acidME585033--6.7201.1132
indolelactateIndolelactic acidME585008--4.4204.0666
pantothenatePantothenic acidME585024--3.89218.1037
cystathionineCystathionineME584985--5.33221.0606
pentose monophosphateRibose 5-phosphateME585025--7.17229.0123
tetrahydro-1-methyl-beta-carboline-3-carboxylate-ME585039--3.73229.0983
cytidineCytidineME584986--2.12242.0787
pseudouridinePseudouridineME585028--2.31243.0623
uridineUridineME585046--1.77243.0625
hexose monophosphateFructose 6-phosphateME585004--7.15259.0228
inosineInosineME585009--3.37267.0738
N-acetylcarnosineN-AcetylcarnosineME585018--3.98267.1102
inosine-15N4InosineME584954--3.35271.062
azathioprineAzathioprineME584957--3.74276.0309
guanosineGuanosineME585003--3.02282.0849
dCMPdCMPME584987--7.42306.0497
ranitidineRanitidineME585031--1.34313.134
dTMPdTMPME584988--7.28321.0493
CMPCMPME584984--7.45322.0455
UMPUMPME585043--7.6323.0286
cAMP3',5' cyclic AMPME584981--4.27328.0461
sucrose/lactose/trehalose-ME585038--2.59341.1098
AMPAMPME584977--7.45346.0558
GMPGMPME585001--8.26362.0516
succinyladenosineSuccinyladenosineME585037--7.27382.1014
CDPCDPME584982--9.49402.0109
UDPUDPME585042--9.7402.9949
ADPADPME584973--9.64426.0221
GDPGDPME584994--10.36442.017
glycocholateGlycocholic acidME585000--3.89464.3018
glycocholate-d4Glycocholic acidME584955--3.89468.3278
glutathione oxidizedGlutathioneME584998--7.91611.1447
MDAMalondialdehydeME585015--5.0671.0139
propionatePropionic acidME585027--3.8673.0295
butyrateButyric acidME584980--3.7387.0452
oxalateOxalic acidME585023--7.2888.9882
lactateLactic acidME585012--3.8589.0244


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