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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
Ethiolat-ME462180--1.44100.0744
Choline cationCholineME462168--4.93104.1064
3-Pyridinemthanol-ME462267--1.35110.0578
CreatinineCreatinineME462073--4.77114.0637
.epsilon.-CaprolactamEpsilon-caprolactamME462111--1.36114.0901
ProlineProlineME462294--7.45116.0689
Benthiavalicarb-isopropyl-ME462161--2.76116.0692
BetaineBetaineME462163--6.77118.085
L-ThreonineThreonineME462202--7.95120.0635
2-Amino-1-phenylethanol2-HydroxyphenethylamineME462126--6.55120.0795
Betaine aldehyde cationBetaineME462164--5.07120.1002
D-Pyroglutamic acid-ME462174--8.28130.049
Pipecolic acidPipecolic acidME462292--7.43130.0826
N-MethylprolineN-Methyl-prolineME462288--6.9130.0843
MetforminMetforminME462212--5.26130.1071
N-AcetylalanineN-AcetylalanineME462091--4.85132.0707
CreatineCreatineME462172--7.76132.0758
IsoleucineIsoleucineME462083--6.88132.0998
NorleucineNorleucineME462290--6.7132.1002
OrnithineOrnithineME462291--9.29133.0946
2-IndolinoneIndolin-2-oneME462128--1.36134.0585
Ethyldiethanolamine-ME462181--5.59134.1154
HypoxanthineHypoxanthineME462082--4.88137.041
1-Methylnicotinamide1-Methyl nicotinamideME462263--5.92137.0688
TrigonellineTrigonellineME462258--7.15138.0534
Urocanic acid;Urocanic acidME462261--3.62139.0484
1-Acetyl-4-piperidinamine-ME462116--5.49143.1124
1-Acetyl-3-piperidinamine-ME462115--1.52143.1149
N.alpha.-Methyl-L-lysineN(2)-Methyl-lysineME462223--6.97144.0998
StachydrineStachydrineME462247--6.78144.1012
3-Aminoquinoline3-AminoquinolineME462133--1.48145.0739
4-Acetamidobutyric acid4-Acetamidobutanoic acidME462270--2.22146.0789
(3-Carboxypropyl)trimethylammonium cation3-DehydroxycarnitineME462113--7.56146.1131
L-Leucine, methyl ester-ME462201--6.34146.1149
GlutamineGlutamineME462078--8.28147.0751
LysineLysineME462087--9.24147.1109
Glutamic acidGlutamic acidME462077--8.46148.0582
1-Phenylpyrrolidine-ME462121--3.87148.1091
MethionineMethionineME462089--7.11150.0563
2,2',2''-NitrilotriethanolTriethanolamineME462131--6.46150.1085
GuanineGuanineME462079--6.17152.0552
Acetominophen-ME462273--1.3152.0677
Nudifloramide-ME462227--2.12153.0639
3-(1-Pyrazolyl)-alanine3-(1-Pyrazolyl)-alanineME462266--7.31156.075
HistidineHistidineME462081--9.07156.0751
D-.alpha.-Cyclohexylglycine-ME462300--6.63158.1109
4-Aminomethylcyclohexanecarboxylic acid;-ME462141--1.2158.1154
L-CitrullineCitrullineME462198--8.51159.0746
BetonicineBetonicineME462165--7.39160.0947
Methacholine cationMethacholineME462213--5.74160.1301
N.epsilon.-Methyl-L-lysineN(6)-MethyllysineME462225--9161.1263
L-CarnitineCarnitineME462197--13.14162.1105
CarnitineCarnitineME462071--7.47162.1123
L-TyrosineTyrosineME462203--7.36165.0525
4-Fluoro-.alpha.-pyrrolidinobutiophenone-ME462142--2.06165.0682
MethioninesulfoxideMethionine sulfoxideME462284--8.26166.0473
7-Methylguanosine7-MethylguanosineME462149--5.15166.0704
PhenylalaninePhenylalanineME462098--6.55166.0851
3-Methylxanthine3-MethylxanthineME462140--2.89167.0545
3,4-Dimethoxybenzaldehyde-ME462268--0.98167.0609
Aminodiphenylmethane-ME462156--1.2167.0841
Pyridoxine;PyridoxineME462238--2.91170.0778
1-Methyl-L-histidine1-MethylhistidineME462117--8.59170.0905
N-MethylhistidineN-MethylhistidineME462092--9.09170.0908
alpha-Methylhistidine;-ME462155--8.92170.0916
N-Acetyl-D-norleucine-ME462221--4.03174.1093_132.1005
Theanine;N(5)-Ethyl-glutamineME462251--8.12175.1047
ArginineArginineME462067--9.15175.1177
CitrullineCitrullineME462072--8.51176.1009
N-(3-(Aminomethyl)benzyl)acetamidine-ME462220--2.67178.1309
ConiferylaldehydeConiferyl aldehydeME462277--1.02179.0751
.beta.-Phenyl-.gamma.-aminobutyric acid-ME462110--6.17180.1001
TheobromineTheobromineME462252--1.46181.0718
TyrosineTyrosineME462109--7.37182.0789
3,5-Dihydroxyphenylglycine-ME462269--7.99184.0695
Methylgallate-ME462285--1.41185.0442
DL-Indole-3-lactic acidIndolelactic acidME462179--6.51188.0691
N8-AcetylspermidineN8-AcetylspermidineME462289--8.5188.1729
N.epsilon.-Acetyl-L-lysine-ME462224--7.8189.119
Homoarginine;HomoarginineME462192--9.05189.1314
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME462226--8.92189.1576
Indole-3-propionic acid3-Indolepropionic acidME462283--1.19190.0837
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME462265--9.53191.0961
ScopoletinScopoletinME462295--1.24193.0373
trans-3'-Hydroxycotininetrans-3-HydroxycotinineME462255--1.81193.0955
CaffeineCaffeineME462069--1.2195.0869
N-AcetylhistidineN-AcetylhistidineME462287--7.91198.0839
4'-Methyl-N-methylhexanophenone-ME462144--6.78202.1521
D-FructoseFructoseME462279--7.51203.0505
Ala-IleAla-IleME462275--7.46203.1318
SDMASymmetric dimethylarginineME462101--8.62203.1479
Acetyl-DL-carnitineCAR 2:0ME462152--12.84204.1205
IsopentenyladenineN6-IsopentenyladenineME462084--6.88204.1223
TryptophanTryptophanME462108--6.51205.0949
2-Hydroxyibuprofen2-HydroxyibuprofenME462127--1.24205.1217
DexpanthenolPantothenolME462176--1.57206.1372
PyrantelPyrantelME462236--2.13207.0944
KynurenineKynurenineME462085--6.57209.0895
2,2-Bishydroxymethyl]-2,2',2''-nitrilotriethanol-ME462130--6.59210.1305
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME462278--1.27211.1433
Mefenorex-ME462210--2.12212.1171
6-Methoxynaphthaleneacetic acid6-Methoxy-2-naphthylaceticacidME462147--1.22217.0992
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME462219--7.78217.1258
PropionylcarnitineCAR 3:0ME462100--6.08218.1373
MeprobamateMeprobamateME462088--1.37219.105
Pantothenic acidPantothenic acidME462095--3.54220.1158
AcetazolamideAcetazolamideME462151--1.4222.9906
AcyclovirAciclovirME462153--5.72226.0926
Benzophenone-3BenzophenoneME462162--5.33229.0834
H-Pro-Hyp-OH-ME462282--8.29229.1138
ErgothioneineErgothioneineME462075--7.46230.0944
NaproxenNaproxenME462093--1.11231.0992
(R)-ButyrylcarnitineCAR 4:0ME462114--5.42232.1528
CarbamazepineCarbamazepineME462070--1.09237.0848
6-Hydroxyflavone6-HydroxyflavoneME462272--1.16239.0739
L-CystineCystineME462200--9.62241.0281
MoxonidineMoxonidineME462286--3.54242.0975
threo-Dihydrobupropion-ME462254--1.51242.124
2-Methylbutyryl-L-carnitineCAR 4:0;2MeME462129--5.01246.1679
Milnacipran-ME462216--2.59247.179
3-HydroxybutyrylcarnitineCAR 4:0;3OHME462136--7.27248.1459
Matrine-ME462209--5.51249.1933
Trileptal-ME462106--1.24253.098
SulfamethoxazoleSulfamethoxazoleME462248--1.12254.0587
PenciclovirPenciclovirME462096--6.49254.1252
Lamotrigine;LamotrigineME462204--1.51256.016
Toradol-ME462298--1.28256.0969
HydroxybupropionHydroxybupropionME462193--2.98256.1082
PalmitamidePalmitamideME462234--1.44256.2625
Hexanoyl-L-carnitineCAR 6:0ME462191--4.47260.1819
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME462112--6.91262.1594
TiclopidineTiclopidineME462296--1.17264.0578
R-(-)-O-Desmethylvenlafaxine-ME462241--3.04264.1913
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME462097--5.69265.1168
Dinor-12-oxophytodienoic acid-ME462177--5.83265.1852
AlbendazoleAlbendazoleME462276--1.09266.0984
AtenololAtenololME462158--5.36267.1757
AdenosineAdenosineME462274--4.75268.1024
Metoprolol acid-ME462215--5.34268.1544
MetoprololMetoprololME462214--3268.189
N-Acetyl-L-carnosineN-AcetylcarnosineME462222--8.08269.1206
3-Cysteinylacetaminophen-ME462134--7.33271.0613
4,5,7-TrihydroxyisoflavoneGenisteinME462271--1.15271.0668
cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine-ME462169--1.45271.1065
Modafinil-ME462090--1.31274.087
H-gamma-glutamyl-glutaminegamma-GlutamylglutamineME462080--9.29276.1146
Albendazole sulfoxide-ME462154--1.34282.0761
1-Methyladenosine A-ME462065--7.09282.1168
DiazepamDiazepamME462074--1.02285.0783
PiperinePiperineME462099--1.02286.1418
Heptadecasphing-4-enineC17 SphingosineME462190--4.13286.2729
Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME462235--5.69287.098
Lauric acid diethanolamide-ME462206--1.61288.2511
TestosteroneTestosteroneME462105--1.1289.234
3-MethylglutarylcarnitineCAR DC5:0;3MeME462139--5.31290.1568
TrimethoprimTrimethoprimME462259--3.93291.1448
OndansetronOndansetronME462232--2.34294.1505
Modafinil acid-ME462217--2.4297.0513
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME462199--9.73298.0493
5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineME462145--2.04298.0946
5'-S-Methylthioadenosine5'-MethylthioadenosineME462146--2.13298.0954
TemazepamTemazepamME462104--1.08301.0735
AlprazolamAlprazolamME462066--1.27309.0894
Avobenzone-ME462160--0.98311.1532
RanitidineRanitidineME462243--4.81315.1486
Decanoyl-L-carnitineCAR 10:0ME462175--2.54316.2444
PrazepamPrazepamME462293--0.96325.1068
7-Hydroxywarfarin-ME462148--1.19325.1069
Gly-Pro-ArgGly-Pro-ArgME462186--9.19329.1913
Ranitidine N-oxide-ME462244--5.49331.1429
Ranitidine-S-oxide-ME462245--6.48331.1514
Lauroyl-L-carnitineCAR 12:0ME462207--2.48344.2769
Usnic acid-ME462262--6.6345.085
Esomeprazole-ME462076--1.39346.1212
p-Acetamidophenyl .beta.-D-glucuronidep-AcetamidophenylglucuronideME462233--10.25350.0707_372.0527
MeloxicamMeloxicamME462211--1.05352.0379
Cotinine N-.beta.-D-glucuronide-ME462171--8.55353.1359
rac-4-Sulfoxypropranolol-ME462242--4.42356.1164
Glaucine-ME462185--2.16356.1829
1-MonostearinMG 18:0/0:0/0:0ME462264--1.02359.316
D-Turanose-ME462280--8.16360.1414
Triptolide-ME462107--1.02361.1648
Omeprazole sulfoneOmeprazole sulfoneME462230--1.13362.1165
LansoprazoleLansoprazoleME462205--1.25370.0753
TrazodoneTrazodoneME462256--1.92372.157
Omeprazole sulfone N-oxide-ME462231--1.41378.1114
D-erythro-Sphingosine-1-phosphateSphingosine 1-phosphateME462173--5.93380.2531
1-Oleoyl-2-acetyl-sn-glycerol-ME462118--0.94381.2975
QuetiapineQuetiapineME462239--2.2384.1715
Levocetirizine;-ME462208--1.56389.1582
Thr-Ile-ArgThr-Ile-ArgME462253--8.53389.2504
Ser-Tyr-LysSer-Tyr-LysME462246--9.18397.2046
Quetiapine sulfoxide-ME462240--3.06400.1664
Ezetimibe-ME462281--0.97410.1635
Ile-Glu-ArgIle-Glu-ArgME462194--8.97417.2438
Tapentadol-.beta.-D-glucuronide-ME462249--7.76420.1962
LosartanLosartanME462086--1.27423.1694
LinoleoylcarnitineCAR 18:2ME462301--1.55424.3399
3-Hydroxyoleylcarnitine-ME462137--2.1424.3401
Oleoyl-L-carnitineCAR 18:1ME462229--1.87426.3553
7.alpha.-Hydroxy-3-oxo-4-cholestenoic acid7alpha-Hydroxy-3-oxo-4-cholestenoic acidME462150--1.21431.313
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME462120--5.42454.2899
Codeine-6-.beta.-D-glucuronide-ME462170--6.115476.1906_300.1562
1-Oleoyl-sn-glycero-3-phosphoethanolamineLPE 18:1/0:0ME462119--5.36480.3052
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolam...LPE 18:0/0:0ME462124--5.34482.3208
Androstan-3-ol-17-one 3-glucuronide-ME462157--5.69484.2868
FexofenadineFexofenadineME462183--3.19502.2941
Borrelidin-ME462166--5.52512.3066
Telmisartan-ME462103--1.3515.2423
BradykininBradykininME462167--8.82530.786
Tri-2-ethylhexyl trimellitate-ME462257--0.91547.3943
AtorvastatinAtorvastatinME462159--1.33559.2571
3-Amino-1-propanol-ME462132--6.9358.0643
Biliverden-ME462068--2.34585.2697
GuanidineAgmatineME462189--5.9760.0551
IsopropylamineIsopropylamineME462196--4.9360.0797
Montelukast-1,2-diol-ME462218--1.16602.2081
UreaUreaME462260--2.7261.0395
Trimethylamine-N-oxideTrimethylamine N-oxideME462299--5.2776.0748
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoseri...-ME462123--5.38812.5414
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'...PI 18:0/20:4ME462122--5.48887.5696
3-Hydroxypyridine3-HydroxypyridineME462138--2.496.0431
1,2-Dimethylimidazole-ME462125--4.0297.0744
3-Dehydrocarnitine3-DehydrocarnitineME462135--2.635-
4-Pyridoxic acid;4-Pyridoxic acidME462143--2.245-
DiphenhydramineDiphenhydramineME462178--1.82-
Ethylenediaminetetraacetic acidEdetic acidME462182--9.63-
GabapentinGabapentinME462184--5.89-
Glycocholic acidGlycocholic acidME462187--3.985-
Glycodeoxycholic acidGlycodeoxycholic acidME462188--4.286666667-
IrbesartanIrbesartanME462195--1.235-
OctanoylcarnitineCAR 8:0ME462228--3.815-
PantoprazolePantoprazoleME462094--1.24-
PyridoxalPyridoxalME462237--1.93-
SerotoninSerotoninME462102--3.485-
Tauroursodeoxycholic acidTauroursodeoxycholic acidME462250--5.175-
TopiramateTopiramateME462297--1.025-


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