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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
CyclohexanamineCyclohexylamineME230856--4.95100.1121
HexylamineHexylamineME230841--3.04102.1279
CholineCholineME230863--5.13104.1077
SerineSerineME230808--8.6106.0503
DiethanolamineDiethanolamineME230851--6.04106.0865
CytosineCytosineME230853--6.87112.0507
HistamineHistamineME230840--7.29112.095
1,4-Cyclohexanedione-ME230897--1.06113.06
1_D9-Choline iSTD-ME230799--5.11113.1641
CreatinineCreatinineME230858--4.76114.0669
ProlineProlineME230811--7.6116.0709
Butylisopropylamine-ME230869--2.6116.1436
1_D3-Creatinine iSTD-ME230789--4.78117.0856
BetaineBetaineME230871--7.15118.0866
ThreonineThreonineME230807--8.2120.0603
1_D9-Betaine iSTD-ME230796--7.16127.1432
1_D3-Histamine,N-methyl- iSTD-ME230793--7.29129.1221
Pyroglutamic acidPyroglutamic acidME230809--8.71130.0501
L-Pyroglutamic acidPyroglutamic acidME230831--8.53130.0503
Pipecolinic acidPipecolic acidME230814--9.51130.0864
N-acetyl putrescineN-AcetylputrescineME230822--6.83131.1155
Aminolevulinic acidAminolevulinic acidME230879--3.05132.0649
CreatineCreatineME230859--8.01132.0774
IsoleucineIsoleucineME230836--7.12132.1019
AsparagineAsparagineME230874--8.71133.0682
OrnithineOrnithineME230817--9.56133.0971
Aspartic acidAspartic acidME230873--9.17134.0443
1_D3-Creatine iSTD-ME230788--8.01135.0959
AdenineAdenineME230882--4.56136.0619
AllopurinolAllopurinolME230881--4.910137.0457
1_D3-DL-Aspartic acid iSTD-ME230791--9.17137.0635
1-Methylnicotinamide1-Methyl nicotinamideME230898--6.17137.0711
TrigonellineTrigonellineME230805--7.37138.0549
4-Methyl-5-thiazoleethanol?5-(2-Hydroxyethyl)-4-methylthiazoleME230889--1.24144.0466
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME230837--1.13146.0601
4-Acetamidobutyric acid4-Acetamidobutanoic acidME230891--2.32146.0812
L-beta-Homoleucine-ME230833--6.6146.1174
GlutamineGlutamineME230842--8.53147.0771
LysineLysineME230826--9.51147.1129
Glutamic acidGlutamic acidME230843--8.72148.0638
2,2',2''-NitrilotriethanolTriethanolamineME230894--6.57150.1124
1_D3-DL-Glutamic acid iSTD-ME230792--8.71151.08
Acetominophen-ME230884--1.34152.0689
1_D5-L-Glutamine iSTD-ME230795--8.54152.1081
1_D9-Crotonobetaine iSTD-ME230800--7.77153.1584
1_D9-Butyrobetaine iSTD-ME230797--7.52155.1742
HistidineHistidineME230839--9.34156.0767
L-beta-Homolysine-ME230832--9.26161.1284
N-Methylglutamic acidN-Methyl-glutamic acidME230820--8.33162.0773
CarnitineCarnitineME230866--7.61162.1124
1_D3-L-Carnitine iSTD-ME230794--7.61165.1313
MethioninesulfoxideMethionine sulfoxideME230824--8.49166.0535
PhenylalaninePhenylalanineME230815--6.8166.0862
4-Guanidinobutyric acid4-Guanidinobutanoic acidME230890--7.55168.0741
3-Methylhistidine3-MethylhistidineME230892--9.5170.0921
alpha-Methyl-DL-histidine-ME230880--9.16170.0922
GabapentinGabapentinME230846--1.21172.1328
Indole-3-acetamide1H-Indole-3-acetamideME230838--1.28175.0895
ArginineArginineME230875--9.42175.1192
CitrullineCitrullineME230862--8.75176.1046
CotinineCotinineME230860--1.47177.1048
1_15N2-L-Arginine iSTD-ME230785--9.44177.113
Isoproturon-desmethyl-ME230835--6.22179.1179
1,7-DimethylxanthineParaxanthineME230896--1.5181.0721
EcgonineEcgonineME230849--7.54186.1123
TrimethyllysineN-6-TrimethyllysineME230803--9.19189.1598
CaffeineCaffeineME230868--1.25195.0894
AcetylcarnitineCAR 2:0ME230883--7.12204.1235
1_D9-Caffeine iSTD-ME230798--1.25204.1441
5-Methoxy-3-indoleacetic acid5-Methoxyindoleacetic acidME230888--1.27206.0808
1_D3-AC(2:0) iSTD-ME230787--7.12207.1427
Lys-Arg-LysLys-Arg-LysME230829--1.45216.1586
MeprobamateMeprobamateME230825--1.22219.1306
N-AcetylhistidineN-AcetylhistidineME230821--8.06220.0694
2-Hydroxychalcone2-HydroxychalconeME230895--1.01225.0915
CarnosineCarnosineME230865--9.54227.1138
Crotetamide-ME230857--1.640227.1757
Pro-LeuPro-LeuME230812--7.24229.1546
LidocaineLidocaineME230830--1.79235.1874
CarbamazepineCarbamazepineME230867--1.19237.107
6-Hydroxyflavone6-HydroxyflavoneME230885--1.28239.079
CystineCystineME230855--9.89241.0312
AnserineAnserineME230877--9.49241.1288
Pantothenic acidPantothenic acidME230816--3.7242.1002
CytidineCytidineME230854--6.87244.093
BiotinBiotinME230870--2.88245.0934
Lys-ValLys-ValME230827--9.21246.1813
Lys-IleLys-IleME230828--8.97260.197
gamma-Glutamylleucinegamma-GlutamylleucineME230845--7.95261.1433
Nordiazepam-ME230818--1.18271.0632
Glu-GlnGlu-GlnME230844--9.55276.1192
1-methyladenosine1-MethyladenosineME230899--7.33282.1198
DiazepamDiazepamME230852--1.06285.0787
PiperinePiperineME230813--1.05286.1479
KaempferolKaempferolME230834--1.35287.0532
AndrostenedioneAndrostenedioneME230878--1.01287.2058
5'-Methylthioadenosine5'-MethylthioadenosineME230886--2.01298.0973
Chlordiazepoxide-ME230864--1.27300.0776
DihydrocapsaicinDihydrocapsaicinME230850--1.01308.2344
5,2',3'-Trimethoxyflavanone5,2',3'-TrimethoxyflavanoneME230887--8.52315.1276
Erucamide13Z-DocosenamideME230848--1.03338.343
1_CUDA iSTD-ME230786--1.18341.2816
CocamidopropylBetaine-ME230861--4.63343.2956
TrehaloseTrehaloseME230806--8.39365.1057
1_Val-Tyr-Val iSTDVal-Tyr-ValME230802--6.84380.2178
ArachidonyldopamineN-Arachidonoyl dopamineME230876--1.06440.3291
MinocyclineMinocyclineME230823--4.27458.1923
1-Hexadecanoyl-sn-glycero-3-phosphocholineLPC 16:0ME230900--5.31496.3397
EthanolamineEthanolamineME230847--7.2262.0609
Trimethylamine N-oxideTrimethylamine N-oxideME230804--5.5176.0764
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholineSM 18:1;O2/24:1ME230819--4.82813.683
1_D9-TMAO iSTD-ME230801--5.4785.1332
PutrescinePutrescineME230810--9.1889.1073
beta-Alaninebeta-AlanineME230872--8.0390.0556
1_D3-DL-Alanine iSTD-ME230790--8.0493.0744
3-Hydroxypyridine3-HydroxypyridineME230893--2.5496.0448


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