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


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