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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
N-MethylalanineN-MethylalanineME47052225245686No result-104.0705
CholineCholineME470299305C00114-104.1068
SerineSerineME4705315951C00065-106.0499
4-Aminophenol4-AminophenolME47044213283155C02372-110.0597
2-Aminophenol2-AminophenolME4703485801C01987-110.0598
3-Aminophenol3-AminophenolME47035211568C05058-110.0598
1-AcetylimidazoleN-AcetylimidazoleME47032217174C02560-111.055
CytosineCytosineME470302597C00380-112.0505
HistamineHistamineME470294774C00388-112.0869
5,6-DihydrouracilDihydrouracilME470532649C00429-115.05
N-Methyl-L-threonine-ME4703477010354No result-116.0704
ProlineProlineME470300145742C00148-116.0706
BetaineBetaineME470287247C00719-118.0861
ValineValineME4705266287C00183-118.0861
ThreonineThreonineME4702646288C00188-120.0655
PhenylacetaldehydePhenylacetaldehydeME470272998C00601-121.0648
Benzoic acidBenzoic acidME47054820144841C00180-123.0437
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME470541126C00633-123.0438
NicotinamideNiacinamideME470270936C00153-123.055
Nicotinic acidNicotinic acidME470537938C00253-124.0392
TaurineTaurineME4705531123C00245-126.022
1-Methylhistamine1-MethylhistamineME4703653614C05127-126.1025
Phloroglucinol-ME470538359C02183-127.0386
5-Methyl-5,6-DihydrouracilDihydrothymineME47042993556C00906-129.0657
Pyroglutamic acidPyroglutamic acidME4702977405C01879-130.05
N-MethylprolineN-Methyl-prolineME470268643474No result-130.0863
Pipecolic acidPipecolic acidME47027925200477No result-130.0863
MetforminMetforminME4705044091C07151-130.1085
4-Acetylbutyric acid5-Ketocaproic acidME47052818407C02129-131.0699
N-acetyl putrescineN-AcetylputrescineME470408122356C02714-131.1178
AgmatineAgmatineME470311199C00179-131.1291
CreatineCreatineME470267586C00300-132.0767
IsoleucineIsoleucineME4702616306C00407-132.1018
NorleucineNorleucineME47052721236C01933-132.1018
OrnithineOrnithineME4702626262C00077-133.0972
Aspartic acidAspartic acidME47026544367445C00049-134.0448
O-Methyltyramine-ME4704174657No result-135.0802
AdenineAdenineME470376190C00147-136.0617
HypoxanthineHypoxanthineME470364790C00262-137.0456
1-Methylnicotinamide1-Methyl nicotinamideME470288457C02918-137.071
4-Aminobenzoic acidp-Aminobenzoic acidME4702637057990C00568-138.0548
Urocanic acidUrocanic acidME470290736715C00785-139.05
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME4705161136C04294-144.0474
StachydrineStachydrineME470351554No result-144.1018
4-Hydroxyquinoline4-HydroxyquinolineME47053669141C06343-146.0597
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME47053310256C08493-146.0597
4-Acetamidobutyric acid4-Acetamidobutanoic acidME47054618189C02946-146.0809
4-Guanidinobutyric acid4-Guanidinobutanoic acidME47031825200642C01035-146.0924
N-Methylleucine-ME470551567743No result-146.1175
N-MethylisoleucineN-MethylisoleucineME470525560437No result-146.1176
CoumarinCoumarinME470556323C05851-147.0469
GlutamineGlutamineME4703325961C00064-147.0763
LysineLysineME4702855962C00047-147.1128
Glutamic acidGlutamic acidME47032633032C00025-148.0605
3-Methyloxyindole3-MethyloxindoleME470341150923C02366-148.0753
MethionineMethionineME4702736137C00073-150.0584
GuanineGuanineME470545764C00242-152.0566
N-Methylanthranilic acid2-(Methylamino)benzoic acidME47054967069C03005-152.0702
AcetaminophenAcetaminophenME4703151983C06804-152.0703
XanthineXanthineME4704151188C00385-153.0405
Cysteinesulfinic acid3-Sulfino-alanineME4703371549098C00606-154.0167
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME47054786C00632-154.0496
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME470427114926C06502-154.0721
N-omega-AcetylhistamineN-AcetylglutamineME47032869602C05135-154.0974
3-(1-Pyrazolyl)-alanine3-(1-Pyrazolyl)-alanineME470305151491C01162-156.0768
HistidineHistidineME4702786274C00135-156.0768
SerotoninSerotoninME4704485202C00780-160.0755
Ala-AlaAla-AlaME4705185460362No result-161.092
N6-Methyl-L-lysineN(6)-MethyllysineME470306541646No result-161.1284
N-Methylglutamic acidN-Methyl-glutamic acidME47030895440No result-162.0761
CarnitineCarnitineME47030410917C00318-162.1123
MethioninesulfoxideMethionine sulfoxideME4703071548907C02989-166.0532
7-Methylguanine7-MethylguanineME47037311361C02242-166.0722
PhenylalaninePhenylalanineME4702666140C00079-166.0862
PseudoephedrinePseudoephedrineME4704097028C02765-166.1225
7-Methylxanthine7-MethylxanthineME47043968374C16353-167.056
3-Methylxanthine3-MethylxanthineME47037970639C16357-167.0561
N-(2-Furoyl)glycine2-FuroylglycineME47028621863No result-170.0445
3-Methylhistidine3-MethylhistidineME47028264969C01152-170.0924
N-MethylhistidineN-MethylhistidineME4702696971273C03298-170.0924
7-Keto-8-aminopelargonic acid8-Amino-7-oxononanoic acidME47038036688192No result-170.1172
GabapentinGabapentinME4704723446D00332-172.1331
Pro-GlyPro-GlyME4704576426709No result-173.092
N5-(1-Iminoethyl)-ornithine-ME470478107984No result-174.1238
Gly-valGly-ValME47031797417No result-175.1076
N-Acetyl-ornithineN-AcetylornithineME470401439232C00437-175.1076
ArginineArginineME47029828782C00062-175.119
Guanidinosuccinic acidGuanidinosuccinic acidME47048297856No result-176.0665
CitrullineCitrullineME4703126992098C00327-176.103
CotinineCotinineME470320854019No result-177.1018
trans-Nicotine-1'-oxide-ME47045871751018No result-179.1177
GalactosamineGalactosamineME47053024154C02262-180.0865
5-Acetylamino-6-amino-3-methyluracil OR 5-Acetylam...5-Acetylamino-6-amino-3-methyluracilME47056688299C16366-181.0719
Dodecalactone OR cis-5-Dodecenoic acid-ME47057016821No result-181.1581
TyrosineTyrosineME4705646057C00082-182.0787
2-Hexyl-4-pentynoic acid-ME470358175664No result-183.1375
EcgonineEcgonineME47053540473221No result-186.1124
N8-AcetylspermidineN8-AcetylspermidineME470274123689C01029-188.1756
N-epsilon-AcetyllysineN6-AcetyllysineME4702716991978C02727-189.1234
HomoarginineHomoarginineME4703109085C01924-189.1346
N6,N6,N6-Trimethyl-lysineN-6-TrimethyllysineME470428159659No result-189.1597
Kynurenic acidKynurenic acidME4702773845C01717-190.0496
Gly-Gly-GlyGly-Gly-GlyME47055211161No result-190.0824
L-HomocitrullineHomocitrullineME470497231356No result-190.1186
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME4705201826C05635-192.0653
N-AcetylmethionineN-AcetylmethionineME4705546180No result-192.0683
5-Methoxytryptophol5-MethoxytryptopholME47053912835No result-192.1015
trans-3'-Hydroxycotininetrans-3-HydroxycotinineME470499107963No result-193.0969
N-Methyl-oxo-3-pyridinebutanamideOxoamideME470489436No result-193.097
(S)-Cotinine N-oxideCotinine N-oxideME4703499815514No result-193.097
Actrarit-ME4705292018D01395-194.0808
CaffeineCaffeineME4703132519C07481-195.0873
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME470334151012No result-196.0603
1,7-Dimethyluric acid1,7-Dimethyluric acidME47043291611C16356-197.0667
N-AcetylhistidineN-AcetylhistidineME47028451669405C02997-198.0873
S-SulfocysteineCysteine-S-sulfateME470433115015C05824-201.9837
Monosaccharide-ME4705576904No result-203.0525
Ala-IleAla-IleME4705557408078No result-203.1391
N,N-DimethylarginineDimethylarginineME47029517801140No result-203.1503
N-Acetyl-hexosamineN-AcetylhexosamineME47056584265No result-204.0865
Acetyl-carnitineCAR 2:0ME4704511No result-204.1229
Glu-GlyGlu-GlyME4704166427052No result-205.0821
TryptophanTryptophanME4703096305C00078-205.097
2-Hydroxyibuprofen2-HydroxyibuprofenME47047310443535No result-205.1219
Indolelactic acidIndolelactic acidME47055092904C02043-206.0808
KynurenineKynurenineME470330161166C00328-209.0922
N-alpha-Acetyl-L-arginineN-AcetylarginineME4704631615663No result-217.1294
Gln-AlaGln-AlaME4703609813211No result-218.1136
PropionylcarnitineCAR 3:0ME470471107738C03017-218.1385
CarboxyibuprofenCarboxyibuprofenME47035710444113No result-219.1009
Pantothenic acidPantothenic acidME4702766613C00864-220.1177
MetaxaloneMetaxaloneME47039215459C07934-222.1118
CystathionineCystathionineME47028125243997C02291-223.0749
His-AlaHis-AlaME470369101180No result-227.1139
CreatinineCreatinineME470355588C00791-227.1246
Proline-hydroxyprolinePro-hydroxyProME47030111902892No result-229.1182
ErgothioneineErgothioneineME4703165351619No result-230.0958
Acetaminophen sulfateParacetamol sulfateME47039083939No result-232.027
Arg-GlyArg-GlyME470501142765No result-232.1405
Butyrylcarnitine OR isobutyrl carnitineCAR 4:0ME470567213144No result-232.1543
His-ProHis-ProME47041411902993No result-235.1188
BupropionBupropionME470465444C06860-240.1146
CystineCystineME47028967678C00491-241.0312
threo-Dihydrobupropion-ME4704319834682No result-242.1302
CytidineCytidineME4705446175C00475-244.0928
Pro-GlnPro-GlnME4704627408109No result-244.1293
BiotinBiotinME470506253No result-245.0952
Glu-ProGlu-ProME470446194260No result-245.1145
Leu-LeuLeu-LeuME4704126992072No result-245.1861
Arg-AlaArg-AlaME4704927020333No result-246.1562
Isovaleryl-L-carnitineCAR 4:0;3MeME470389169235No result-246.1698
3-HydroxybutyrylcarnitineCAR 4:0;3OHME47047090659885No result-248.1493
Hexadecanedioic acidHexadecanedioic acidME470420222178No result-251.2001
SulfamethoxazoleSulfamethoxazoleME4703985329C07315-254.0591
TriamtereneTriamtereneME4703675546D00386-254.1146
HydroxybupropionHydroxybupropionME4704509837966No result-256.1095
O-MethylcytidineO-MethylcytidineME47031418651938No result-258.1085
Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME470468439285C00670-258.1103
Hexanoyl-L-carnitineCAR 6:0ME4704833246938No result-260.1857
CarisoprodolCarisoprodolME4704352576C07927-261.1804
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME470388-No result-262.1647
NortriptylineNortriptylineME4704414543C07274-264.1743
O-DesmethylvenlafaxineDesvenlafaxineME470410125017D07793-264.1956
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME47028392258C04148-265.1181
AtenololAtenololME4704212249D00235-267.1702
AdenosineAdenosineME470436447270No result-268.1041
MetoprololMetoprololME4703944171C07202-268.1905
N-Acetyl-L-carnosineN-AcetylcarnosineME4703429903482No result-269.1244
His-LeuHis-LeuME470423189008C05010-269.1609
Rizatriptan-ME4704755078D08485-270.171
Val-ArgVal-ArgME470280444523No result-274.1877
Oxo-octadecatrienoic acid-ME47033611380794No result-275.2
Glu-GlnGlu-GlnME47029119922802No result-276.1192
Octadecadiynoic acidOctadecadiynoic acidME4704041931No result-277.2156
VenlafaxineVenlafaxineME4704435656C07187-278.2111
gamma-Glutamylmethioninegamma-GlutamylmethionineME4705427009567No result-279.1009
Phe-LeuPhe-LeuME4704537010521No result-279.1702
Epoxy-octadecenoic acid-ME47036312097313No result-279.2311
Asp-pheAsp-PheME47033193078No result-281.1134
Linoleic acidLinoleic acidME4704375280450C01595-281.247
1-Methyladenosine1-MethyladenosineME47027591746290No result-282.1197
Mirtazapine N-oxide-ME47037446782381No result-282.1598
OleamideOleamideME4703615283387C19670-282.2785
3'-O-Methylinosine-ME470515135121872No result-283.1035
GuanosineGuanosineME4702966802C00387-284.0991
Hydroxymetoprololalpha-HydroxymetoprololME470434114962No result-284.1854
DiazepamDiazepamME4702593016C06948-285.0783
N-AcetylcytidineN4-AcetylcytidineME470293107461No result-286.1031
PiperinePiperineME470292638024C03882-286.143
Ile-ArgIle-ArgME4703867021814No result-288.2032
OctanoylcarnitineCAR 8:0ME47035311953814C02838-288.2167
BenzoylecgonineBenzoyl ecgonineME47038112787958No result-290.1383
3-MethylglutarylcarnitineCAR DC5:0;3MeME470383128145No result-290.1596
InosineInosineME4703196021C00294-291.07
Desmethylverapamil-ME470346157039No result-291.2061
N4-AcetylsulfamethoxazoleN-AcetylsulfamethoxazoleME47038265280C13061-296.0696
Norquetiapine-ME47039911369918No result-296.1214
Cysteine-glutathione disulfideS-Glutathionyl-cysteineME4703434247235No result-298.0527
5-Methylthioadenosine5'-MethylthioadenosineME470327439176C00170-298.0965
1-Methylguanosine1-MethylguanosineME470303188959No result-298.1146
Desmethylranitidine-ME47049510380064No result-301.1327
NoroxycodoneOxymorphoneME4704765284604C08019-302.1386
HesperetinHesperetinME47037073635C09756-303.0864
Eicosapentaenoic acidEicosapentaenoic acidME470396446284C06428-303.2312
Hydroxybenzoylecgonine-ME47037756667780No result-306.1333
CetraxateCetraxateME47052125201854No result-306.1703
CapsaicinCapsaicinME4705071548943C06866-306.2055
FluconazoleFluconazoleME4704553365D00322-307.1107
Clopidogrel carboxylic acid-ME4703544129546No result-308.0502
AlprazolamAlprazolamME4703242118C06817-309.0895
NadololNadololME47048439147D00432-310.201
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME47054392919No result-312.1301
Phe-PhePhe-PheME4703786993089No result-313.1547
RanitidineRanitidineME4703233001055D00422-315.1483
Octadecanedioic acidOctadecanedioic acidME47051770095No result-315.2521
4-Hydroxyomeprazole sulfide-ME47041854055259No result-316.1108
Decanoyl-L-carnitineCAR 10:0ME47041911953821C03299-316.248
15-Deoxy-12,14-prostaglandin J2 (or Prostoglandin ...15-Deoxy-delta-12,14-PGJ2ME4705695311211C14717-317.2104
Fenofibric acid-ME47042564929No result-319.0724
Phe-ArgPhe-ArgME470438150903No result-322.1876
CitalopramCitalopramME4704902771C07572-325.1705
ParoxetineParoxetineME4703384691No result-330.1493
Ranitidine N-oxide-ME4703563033888No result-331.1433
HydroxychloroquineHydroxychloroquineME4705033652C07043-336.1835
FamotidineFamotidineME4705003325D00318-338.0521
Tyr-ArgTyr-ArgME470403123804C02993-338.1822
His-TrpHis-TrpME4703627009649No result-342.1563
Scutellarein tetramethyl ether-ME47047796118C14472-343.1168
Lauroyl-L-carnitineCAR 12:0ME470371168381No result-344.2793
Esomeprazole-ME4704679568614D07917-346.1212
CorticosteroneCorticosteroneME4705345753C02140-347.221
MeloxicamMeloxicamME47051454677470C08169-352.0411
Phe-TrpPhe-TrpME470400134906No result-352.1655
4-Hydroxyvalsartan4-HydroxyvalsartanME4703879911647No result-352.1759
Cotinine-glucuronide-ME470502178540No result-353.1346
Dehydrofelodipine-ME47045262970No result-354.0285
Omeprazole sulfoneOmeprazole sulfoneME470395145900No result-362.1157
Disaccharide ASucroseME4705595988C00089-365.1053
Disaccharide BIsomaltoseME470560439193C00252-365.1055
Hydroxycholesterol acetate-ME470558-No result-367.3349
Pantoprazole sulfide-ME4704749799341No result-368.0865
3-Hydroxycotinine-glucuronidetrans-3-Hydroxycotinine glucuronideME470486183115No result-369.1292
Cholesterol OR Cholesterol ester fragment-ME470563-No result-369.3506
Ramiprilat-ME4704055464096No result-371.1955
TrazodoneTrazodoneME4704405533C07156-372.158
Tangeritin-ME47048035028119No result-373.1272
EnalaprilEnalaprilME47037540466924C06977-377.2065
Omeprazole sulfone N-oxide-ME47051121256701No result-378.1109
erythro-Sphingosine-1-phosphateSphingosine 1-phosphateME47035910883396C06124-380.2559
PantoprazolePantoprazoleME4703934679C11806-384.0814
S-Adenosyl-homocysteineS-AdenosylhomocysteineME47033325246222C00021-385.1287
Asn-Pro-ArgAsn-Pro-ArgME47044718219245No result-386.2149
Asn-Val-ArgAsn-Val-ArgME47049818219342No result-388.2303
3-Hydroxy-5-cholestenoic acid-ME470494165511C17333-399.3248
Quetiapine sulfoxide-ME47037210431050No result-400.1684
Ibuprofen glucuronide-ME470335163959No result-400.1965
Nobiletin-ME47042672344C10112-403.1378
N-Acetyl-lactosamine or Galacto-N-biose-ME470562119547No result-406.132
SitagliptinSitagliptinME4704224369359D08516-408.1249
QuinaprilatQuinaprilatME470366107994D03773-411.1911
Glycodeoxycholic acidGlycodeoxycholic acidME4704933493No result-414.3003
DiltiazemDiltiazemME47038439186C06958-415.1678
LithocholylglycineGlycolithocholic acidME470496115245C15557-416.3157
LosartanLosartanME4704443961C07072-423.1685
IrbesartanIrbesartanME4705083749C07469-429.2388
7-Hydroxy-3-oxo-4-cholestenoic acid-ME47046191746147No result-431.3145
Rivaroxaban-ME4704079875401D07086-436.0717
ValsartanValsartanME47026060846D00400-436.2334
Quinapril-ME47040240466957C07398-439.2217
1-Lauroyl-2-hydroxy-glycero-3-phosphocholine-ME470345460605No result-440.2766
GlipizideGlipizideME4705123478D00335-446.1847
1-Palmitoyl-2-hydroxy-glycero-3-phosphoethanolamin...-ME47051058177710No result-454.2925
Glycocholic acidGlycocholic acidME47045410140C01921-466.3165
1-Myristoyl-sn-glycero-3-phosphocholineLPC 14:0/0:0ME470485460604No result-468.3081
Glycyrrhetinic acidGlycyrrhetinic acidME47042410114C02283-471.346
Temazepam glucuronide-ME47040676973794No result-477.1058
1-Oleoyl-glycero-3-phosphoethanolamine-ME47044558177709No result-480.3083
1-Hexadecenyl-glycero-3-phosphocholine-ME47038510917802No result-480.3448
Rosuvastatin-ME470344446157D08492-482.1747
1-Stearoyl-2-hydroxy-glycero-3-phosphoethanolamine-ME47034046891690No result-482.3238
1-Pentadecanoyl-glycero-3-phosphocholine-ME47045624779458No result-482.3241
1-Hexadecyl-glycero-3-phosphocholineLPC O-16:0ME470481162126No result-482.3601
Androstan-3-ol-17-one 3-glucuronide-ME470479443078C11136-484.2906
GlibenclamideGlyburideME4705133488C07022-494.1499
lysoPC 16:1LPC 16:1ME470397-No result-494.324
1-Palmitoyl-sn-glycero-3-phosphocholineLPA 16:0/0:0ME470339460602No result-496.3394
FexofenadineFexofenadineME4704603348C06999-502.2945
trans-Hydroxyglimepiride-ME470509-No result-507.2261
1-(1-Octadecenyl)-glycero-3-phosphocholine-ME47048724779527No result-508.3757
1-Heptadecanoyl-glycero-3-phosphocholine-ME47046624779463No result-510.3552
Taurocholic acidTaurocholic acidME4703256675No result-516.2987
lysoPC 18:2LPC 18:2ME470350-No result-520.3396
1-Oleoyl-glycero-3-phosphocholine-ME47050516081932No result-522.3552
1-Stearoyl-2-hydroxy-glycero-3-phosphocholineLPC 18:0/0:0ME470391108156No result-524.371
Trisaccharide B-ME47056892146No result-527.1582
Trisaccharide AErloseME470561193471No result-527.1583
lysoPC 20:4LPC 20:4ME470411-No result-544.3392
AtorvastatinAtorvastatinME47032960823C06834-559.2592
BiliverdinBiliverdinME4704495280353No result-583.2534
StercobilinL-UrobilinME470469118144No result-595.3487
1-Linoleoyl-2-oleoyl-glycerol-ME47036845039657No result-601.5174
EthanolamineEthanolamineME470523700C00189-62.0602
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME4704599939941No result-703.5742
N-Oleoyl-erythro-sphingosylphosphorylcholine-ME4704306443882No result-729.5904
N-(Octadecanoyl)sphing-4-enine-1-phosphocholineSM 18:1;O2/18:0ME4704135353953No result-731.6053
GlycineGlycineME4705195257127C00037-76.0393
2-Oleoyl-1-palmitoyl-glycero-3-phosphocholine-ME4704915497103No result-760.5836
TMAOTrimethylamine N-oxideME4703211145C01104-76.0756
1,2-dioleoyl-glycero-3-phosphatidylcholine-ME47046410350317No result-786.5991
N-Nervonoyl-erythro-sphingosylphosphorylcholine-ME47048844260126No result-813.6829
PutrescinePutrescineME4705241045C00134-89.1072
AlanineAlanineME4705405950C00041-90.0549


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