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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
CyclohexylamineCyclohexylamineME604792---100.11235
N-MethylalanineN-MethylalanineME604820---104.07095
CholineCholineME604789---104.10719
SerineSerineME604846---106.04998
3-Methylthiopropylamine3-MethylthiopropylamineME604776---106.06867
HistamineHistamineME604799---112.08711
UracilUracilME604860---113.03482
CreatinineCreatinineME604791---114.0663
ProlineProlineME604842---116.07062
ValineValineME604863---118.08617
N,N-Diethyl-2-aminoethanol-ME604815---118.12263
ThreonineThreonineME604853---120.06541
PhenylacetaldehydePhenylacetaldehydeME604839---121.06493
PhenylethylaminePhenylethylamineME604838---122.09653
Isonicotinamide-ME604807---123.05532
ThreitolThreitolME604852---123.05538
NiacinamideNiacinamideME604829---123.05544
Imidazoleacetic acidImidazoleacetic acidME604779---127.0503
ThymineThymineME604854---127.05034
MelamineMelamineME604812---127.07264
N-Methyl-prolineN-Methyl-prolineME604822---130.08629
LeucineLeucineME604809---132.10165
IsoleucineIsoleucineME604806---132.10172
OrnithineOrnithineME604832---133.09703
AdenineAdenineME604782---136.06192
N-Ethylbenzylamin-ME604819---136.11195
HypoxanthineHypoxanthineME604802---137.04582
P-Aminobenzoic acidp-Aminobenzoic acidME604780---138.05492
Urocanic acidUrocanic acidME604861---139.05025
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME604778---146.09215
N-MethylisoleucineN-MethylisoleucineME604821---146.11743
GlutamineGlutamineME604797---147.0764
LysineLysineME604810---147.1125
Glutamic acidGlutamic acidME604796---148.06026
MethionineMethionineME604813---150.05807
TriethanolamineTriethanolamineME604774---150.11235
GuanineGuanineME604798---152.05757
HistidineHistidineME604800---156.07666
TryptamineTryptamineME604857---161.10748
NicotineNicotineME604831---163.12268
Methionine sulfoxideMethionine sulfoxideME604814---166.05318
PhenylalaninePhenylalanineME604840---166.08592
PyridoxaminePyridoxamineME604843---169.09711
PyridoxinePyridoxineME604833---170.08093
N5-(1-Iminoethyl)-ornithine-ME604826---174.12366
N-AcetylornithineN-AcetylornithineME604824---175.10759
ArginineArginineME604787---175.11842
Indoleacetic acidIndoleacetic acidME604775---176.07048
CitrullineCitrullineME604790---176.10266
o-Tyrosineo-TyrosineME604867---182.08073
TyrosineTyrosineME604859---182.08102
TributylamineTributylamineME604856---186.22145
N6-AcetyllysineN6-AcetyllysineME604825---189.12135
N(2)-AcetyllysineN(2)-AcetyllysineME604827---189.12294
HomoarginineHomoarginineME604801---189.13445
TarginineTarginineME604850---189.1346
N-6-TrimethyllysineN-6-TrimethyllysineME604828---189.15927
HomocitrullineHomocitrullineME604865---190.11847
N-AcetylmethionineN-AcetylmethionineME604817---192.06926
alpha-Iononealpha-IononeME604864---193.15863
DimethylarginineDimethylarginineME604816---203.15005
SpermineSpermineME604847---203.22308
TryptophanTryptophanME604858---205.09711
Tri(propylene glycol) methyl ether-ME604855---207.1588
PelargonidinPelargonidinME604823---217.12936
Pantothenic acidPantothenic acidME604834---220.11781
DeoxycytidineDeoxycytidineME604772---228.0979
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid-ME604777---239.10562
Pentaethylene glycolPentaethylene glycolME604835---239.14854
CystineCystineME604793---241.03085
1-Hexadecylamine1-HexadecylamineME604770---242.28404
PhencyclidinePhencyclidineME604837---244.19083
BiotinBiotinME604788---245.09517
Glu-ProGlu-ProME604795---245.1134
N-Acetyl-tryptophanN-Acetyl-tryptophanME604818---247.10718
Nicotinamide ribosideNicotinamide ribosideME604830---255.09769
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME604845---258.11011
ThiamineThiamineME604851---265.11206
DeoxyguanosineDeoxyguanosineME604773---268.10413
AdenosineAdenosineME604783---268.10419
InosineInosineME604805---269.08792
n-OctadecylamineOctadecylamineME604866---270.31531
Pro-ArgPro-ArgME604841---272.17151
Val-ArgVal-ArgME604862---274.18716
Arg-LeuArg-LeuME604785---288.20273
Ile-ArgIle-ArgME604803---288.20279
Leu-ArgLeu-ArgME604808---288.20291
Edetic acidEdetic acidME604794---293.09756
5'-Methylthioadenosine5'-MethylthioadenosineME604781---298.09659
Phe-ArgPhe-ArgME604836---322.18677
Arg-PheArg-PheME604786---322.18713
SucroseSucroseME604848---365.10568
MaltitolMaltitolME604811---367.12125
RiboflavinRiboflavinME604844---377.14465
ImidazoleImidazoleME604804---69.04515
MethylguanidineMethylguanidineME604771---74.07173
Trimethylamine N-oxideTrimethylamine N-oxideME604849---76.07597
AlanineAlanineME604784---90.05523
1,2-Dimethylimidazole-ME604769---97.07624


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
Malonic acidMalonic acidME604902---103.00256
SerineSerineME604917---104.03414
UracilUracilME604924---111.01895
4,6-Dihydroxypyrimidine-ME604874---111.01907
ThreonineThreonineME604920---118.04977
2-Hydroxybenzaldehyde2-HydroxybenzaldehydeME604892---121.0285
IsoleucineIsoleucineME604896---130.08633
LeucineLeucineME604900---130.0864
Leucinic acidLeucinic acidME604869---131.07039
OrnithineOrnithineME604909---131.08162
5-Hydroxyindole5-HydroxyindoleME604876---132.04454
Threonic acidThreonic acidME604919---135.02873
Sulfoacetic acidSulfoacetic acidME604918---138.9696
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME604875---144.07687
GlutamineGlutamineME604888---145.06088
LysineLysineME604901---145.09726
Glutamic acidGlutamic acidME604887---146.04489
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME604897---147.02882
GuanineGuanineME604889---150.04114
HistidineHistidineME604890---154.06122
Orotic acidOrotic acidME604910---155.00914
Methionine sulfoxideMethionine sulfoxideME604903---164.03783
PhenylalaninePhenylalanineME604912---164.07076
Arabinonic acidArabinonic acidME604877---165.03957
Phenyllactic acidPhenyllactic acidME604873---165.05481
Cysteic acidCysteic acidME604882---167.99632
N-AcetylleucineN-AcetylleucineME604906---172.09685
L-Dehydroascorbic acidL-Dehydroascorbic acidME604885---173.00816
N-AcetylornithineN-AcetylornithineME604908---173.09221
ArginineArginineME604879---173.10333
Indoleacetic acidIndoleacetic acidME604872---174.05518
CitrullineCitrullineME604881---174.0874
TyrosineTyrosineME604923---180.06569
DL-o-Tyrosine-ME604884---180.06573
3-Hydroxyphenylalaninemeta-TyrosineME604870---180.06578
GalactitolGalactitolME604927---181.07089
Azelaic acidAzelaic acidME604880---187.09677
HomoarginineHomoarginineME604891---187.11957
L-NG-Monomethylarginine-ME604898---187.11963
Cysteine-S-sulfateCysteine-S-sulfateME604916---199.96867
DimethylarginineDimethylarginineME604904---201.13509
TryptophanTryptophanME604922---203.08179
Indolelactic acidIndolelactic acidME604894---204.06593
N-AcetylphenylalanineN-AcetylphenylalanineME604905---206.08159
2-Benzothiazolesulfonic acid-ME604868---213.9632
Pantothenic acidPantothenic acidME604911---218.10291
CystineCystineME604883---239.01593
ThymidineThymidineME604921---241.08273
UridineUridineME604925---243.06166
N-Acetyl-tryptophanN-Acetyl-tryptophanME604907---245.0925
Blasticidin SBlasticidin SME604886---265.14767
InosineInosineME604895---267.07309
Pro-ArgPro-ArgME604914---270.15671
Val-ArgVal-ArgME604926---272.17236
Arg-ValArg-ValME604878---272.17261
Ile-ArgIle-ArgME604893---286.18811
LactitolLactitolME604899---343.12415
Pyruvic acidPyruvic acidME604915---87.00772
Hydroxypropionic acidHydroxypropionic acidME604871---89.02334
Phosphoric acidPhosphoric acidME604913---96.95908


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