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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Latanoprost-ME442142--0.91433.2947
Androstane-3,17-diol3alpha-AndrostanediolME442060--0.93293.2474
OxybenzoneOxybenzoneME442202--0.94229.0859
Phloroglucinol-ME442212--0.94127.0389
AnastrozoleAnastrozoleME442059--0.95294.1698
3,4-Dimethoxybenzaldehyde-ME441988--0.97167.0627
2-Aminophenol2-AminophenolME441977--0.98110.0616
4,5,7-TrihydroxyisoflavoneGenisteinME442010--0.99271.0602
PiperinePiperineME442214--0.99286.1438
N-Methylanthranilic acid2-(Methylamino)benzoic acidME442187--1.03152.0705
Pemoline-ME442204--1.03177.0674
LiquiritigeninLiquiritigeninME442147--1.04257.0807
ScopoletinScopoletinME442229--1.04193.0495
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME442134--1.05146.0598
Abscisic acidAbscisic acidME442047--1.08265.143
GlyciteinGlyciteinME442113--1.09285.0759
Octadecanedioic acidOctadecanedioic acidME442198--1.09315.2572
DaidzeinDaidzeinME442090--1.1255.065
N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl-gu...-ME442177--1.1232.1543
1_CUDA iSTD-ME441942--1.12341.2798
6-Hydroxyflavone6-HydroxyflavoneME442042--1.12239.0711
4-Methyl-5-thiazoleethanol?5-(2-Hydroxyethyl)-4-methylthiazoleME442024--1.14144.0477
OxazepamOxazepamME442201--1.14287.058
CaffeineCaffeineME442073--1.16195.0876
5-Methoxy-3-indoleacetic acid5-Methoxyindoleacetic acidME442037--1.17206.0811
Nialamide-ME442181--1.17299.1481
3-Indoleacetic acidIndoleacetic acidME441999--1.19176.0705
Gabapentin related compound A-ME442107--1.19154.1225
Indole-3-acetamide1H-Indole-3-acetamideME442133--1.19175.0865
Actrarit-ME442051--1.2194.0812
1-AcetylimidazoleN-AcetylimidazoleME441967--1.23111.0553
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME441995--1.24154.0497
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME442083--1.24211.1429
1,3 CyclohexanedioneCyclohexane-1,3-dioneME441964--1.27113.0597
AcetaminophenAcetaminophenME442049--1.27152.0733
Phlorobenzophenone-ME442211--1.27231.0652
2,8-QuinolinediolQuinoline-2,8-diolME441973--1.31162.0548
1,4-Cyclohexanedicarboxylic acid-ME441966--1.33173.0802
4-Hydroxy-6-methyl-2-pyrone-ME442017--1.33127.0389
5-Fluro-2-pyrimidone-ME442033--1.35115.039
Quinolone2-HydroxyquinolineME442224--1.35146.0599
CotinineCotinineME442080--1.37177.1024
LevetiracetamLevetiracetamME442144--1.37126.092
Hexadecyltrimethylammonium cation-ME442122--1.49284.3311
TheophyllineTheophyllineME442234--1.52181.0719
4-Hydroxyquinoline4-HydroxyquinolineME442020--1.53146.0599
5,6-DihydrouracilDihydrouracilME442028--1.53115.0502
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME442034--1.57192.0689
MoclobemideMoclobemideME442156--1.6269.1133
N-Methyl-.gamma.-oxo-3-pyridinebutanamide-ME442185--1.66193.0964
2S-Amino-4E-pentadecene-1,3R-diol-ME441986--1.67258.2429
Pirimiphos-ethyl-ME442215--1.69182.1276
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME441965--1.71211.0839
2-Pyridone2-HydroxypyridineME441984--1.7296.0444
Cyproheptadine-ME442085--1.73288.1805
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid2-Oxindole-3-acetateME441959--1.75192.0731
3-Hydroxyacetaminophen-ME441994--1.76126.0568
5-Methyl-2-thiouridine-ME442039--1.77275.0694
4-Thiouridine-ME442027--1.88261.0587
DoxepinDoxepinME442099--1.88280.1752
Atomexetine-ME442068--1.91256.1695
Triethylene glycol monobutyl ether-ME442239--1.95151.0964
2-Pyridylacetic acid3-Pyridylacetic acidME441985--1.99138.0549
N-Acetyl-leucine (double check)-ME442169--2.02174.1124
Indolelactic acidIndolelactic acidME442135--2.04206.0811
Lofexidine-ME442150--2.04259.0486
Cinanserin-ME442078--2.1341.1659
4-Acetamidobutyric acid4-Acetamidobutanoic acidME442012--2.12146.081
.gamma.-Aminobutyric acidgamma-Aminobutyric acidME441963--2.1286.06
5'-Methylthioadenosine5'-MethylthioadenosineME442040--2.18298.0969
5-Amino-1-methyl-2-piperidinone-ME442030--2.19112.0757
2-Propenenitrile, 3-4-(1,1-dimethylethyl)phenyl]su...-ME441983--2.2250.0935
5-Aminosalicylic acid-ME442032--2.21136.0392_153.0657
4-Pyridoxic acid4-Pyridoxic acidME442025--2.23-
N-CinnamoylglycineCinnamoylglycineME442176--2.23206.0811
3-Hydroxysebacic acid3-Hydroxysebacic acidME441998--2.26219.133
N-AcetylphenylalanineN-AcetylphenylalanineME442172--2.35208.0973
3-Methylcrotonylglycine3-MethylcrotonylglycineME442000--2.45158.0811
N-Carboxyethyl-.gamma.-aminobutyric acidN-Carboxyethyl-gamma-aminobutyric acidME442175--2.45140.0712
AripiprazoleAripiprazoleME442063--2.5448.151
DL-2-Methylglutamic acidN-Methyl-glutamic acidME442097--2.51116.0706
Ifenprodil-ME442132--2.52326.2072
BiotinBiotinME442072--2.55245.0926
PhenylacetylglycinePhenylacetylglycineME442208--2.59194.0851
N-AcetyltryptophanN-Acetyl-tryptophanME442173--2.64247.1077
N-IsovalerylglycineIsovalerylglycineME442184--2.64160.0967
threo-Dihydrobupropion-ME442236--2.79242.1304
Desmedipham-ME442093--2.87182.0812
Hippuric acidHippuric acidME442125--2.98359.1237
N-AcetylmethionineN-AcetylmethionineME442170--3.1192.0667
3-Dehydrocarnitine3-DehydrocarnitineME441992--3.12116.1069
Benzoic acid, 2-(2Z)-3-(3,4-dimethoxyphenyl)-1-oxo...-ME442069--3.19191.072
Dextrorphan-ME442094--3.22258.1854
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME442018--3.23121.0284
7-Methylxanthine7-MethylxanthineME442045--3.26167.0563
N-IsobutyrylglycineIsobutyrylglycineME442183--3.28146.081
Pantothenic acidPantothenic acidME442203--3.31-
4-Imidazoleacrylic acidUrocanic acidME442022--3.42121.0396
Urocanic acidUrocanic acidME442245--3.42139.0501
2-Hydroxy-4-methoxybenzaldehyde-ME441979--3.46153.048
(S)-Cotinine N-oxideCotinine N-oxideME441962--3.47193.0972
PyridoxinePyridoxineME442221--3.49170.081
Cyromazine-ME442086--3.56167.1039
CetraxateCetraxateME442076--360.15306.1709
Decanoyl-L-carnitineCAR 10:0ME442091--3.64316.2481
N-(2-Furoyl)glycine2-FuroylglycineME442158--3.81170.0447
2'-O-Methylinosine-ME441981--3.9283.1151
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME442031--4.02127.0613
3'-O-Methylinosine-ME442007--4.1283.1037
Homogentisic acidHomogentisic acidME442129--4.21_4.99-
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME442026--4.28174.0549
AdenineAdenineME442052--4.41136.0617
5-Methoxyuridine-ME442038--4.54275.0907
Diflufenzopyr-ME442096--4.55206.0515
TroxipideTroxipideME442242--4.55295.165
PhenethylaminePhenylethylamineME442205--4.570_4.560-
1_D3-Creatinine iSTD-ME441946--4.67117.0849
CreatinineCreatinineME442082--4.68114.066
8-Oxo-2-deoxyadenosine8-Oxo-2'-deoxyadenosineME442046--4.75268.1041
CyclohexanamineCyclohexylamineME442084--4.8100.1121
Ethyldiethanolamine-ME442104--4.83134.1174
N-AcetylcytidineN4-AcetylcytidineME442165--4.85286.1034
3-Methylthiopropylamine3-MethylthiopropylamineME442004--4.88106.0685
1_D9-Choline iSTD-ME441955--4.95113.1634
RanitidineRanitidineME442225--4.96315.1484
3'-O-Methylcytidine-ME442005--4.97258.1085
CholineCholineME442077--4.97104.1069
Hexanoyl-L-carnitineCAR 6:0ME442123--4.97260.1856
NicotineNicotineME442182--4.99163.1284
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME442011--5.01154.0722
AlbuterolAlbuterolME442056--5.18240.1594
Phenylethanolamine A-ME442210--5.23138.0941
Ibuprofen .beta.-D-glucuronide-ME442131--5.25400.1967
6-Aminocaproic acid6-Aminocaproic acidME442041--5.32132.1018
Phenylacetaldehyde B-ME442206--5.32121.0681
1_D9-TMAO iSTD-ME441957--5.3485.1322
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME442029--5.35181.0719
TMAOTrimethylamine N-oxideME442238--5.3876.0757
Trimethylamine N-oxideTrimethylamine N-oxideME442241--5.38151.144
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME442161--5.41-
3-Ureidopropionic acidUreidopropionic acidME442008--5.47133.0607
FamotidineFamotidineME442105--5.49338.0522
SynephrineSynephrineME442232--5.5168.1099
2'-O-Methylguanosine2'-O-MethylguanosineME441980--5.61298.1146
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME442019--5.66-
CytosineCytosineME442089--5.66112.0505
(R)-ButyrylcarnitineCAR 4:0ME441961--5.66232.1543
3'-O-Methylguanosine3'-O-MethylguanosineME442006--5.69298.115
His-ProHis-ProME442126--5.72235.1189
D-FructoseFructoseME442095--5.77203.0524
N-omega-AcetylhistamineN-AcetylglutamineME442197--5.82154.0974
1-Methyluric acid1-Methyluric acidME441971--5.86183.0512
2-Amino-2-methyl-1,3-propanediol-ME441975--5.88106.0862
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME442207--5.93265.1182
RiboflavinRiboflavinME442226--5.99377.1454
4-Amino-1-butanol-ME442013--6.0290.0913
1_D3-1-Methylnicotinamide iSTD-ME441943--6.06140.0895
1-Methylnicotinamide1-Methyl nicotinamideME441970--6.06137.0709
Kynurenic acidKynurenic acidME442138--6.11190.0498
InosineInosineME442136--6.130_6.140-
N-Acetyl-DL-leucine-ME442166--6.18128.1069_145.1335
DopamineDopamineME442098--6.19154.0893
2'-DeoxyguanosineDeoxyguanosineME441978--6.27268.1035
PropionylcarnitineCAR 3:0ME442218--6.29218.1386
N-MethylisoleucineN-MethylisoleucineME442190--6.3146.1174
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME441968--6.35144.1018
GuanineGuanineME442121--6.37152.0566
N2-Methylguanosine2-MethylguanosineME442162--6.39298.1146
2,2',2''-NitrilotriethanolTriethanolamineME441972--6.41150.1124
Methacholine cationMethacholineME442152--6.55160.1331
FluoreneFluoreneME442106--6.58167.0814
4,4-Dimethyl-L-glutamic acid-ME442009--6.6176.0917
Lisdexamfetamine-ME442148--6.61129.1017
Thiamine cationThiamineME442235--6.68265.1119
TryptophanTryptophanME442243--6.77-
PhenylalaninePhenylalanineME442209--6.79166.0862
1_Val-Tyr-Val iSTDVal-Tyr-ValME441958--6.82380.2179
KynurenineKynurenineME442139--6.82209.0968
4-Aminomethylcyclohexanecarboxylic acid-ME442015--6.85158.1174
MethohexitalMethohexitalME442155--6.9263.139
N-MethylvalineN-Methyl-valineME442196--6.91132.1018
alpha-Galactosamine-1-phosphate-ME442058--6.92260.0532
3-Methylcytidine3-MethylcytidineME442001--6.99258.1085
N-AcetylglucosamineN-Acetyl-D-glucosamineME442167--7.02222.0972
7,8-Dihydrobiopterin7,8-DihydrobiopterinME442043--7.04240.1069
N-MethylprolineN-Methyl-prolineME442192--7.04130.0862
1_D3-AC(2:0) iSTD-ME441944--7.06207.1418
AcetylcarnitineCAR 2:0ME442050--7.06204.123
1_D9-Betaine iSTD-ME441953--7.07127.1426
BetaineBetaineME442071--7.07-
N-Methyltyrosine-ME442195--7.07196.0967
IsoleucineIsoleucineME442137--7.09132.1018
EthanolamineEthanolamineME442103--7.1462.0602
1_D3-Histamine, N-methyl- iSTD-ME441950--7.18129.1213
1-Methyladenosine1-MethyladenosineME441969--7.29282.1196
4-Aminobenzoic acidp-Aminobenzoic acidME442014--7.32138.0548
TrigonellineTrigonellineME442240--7.32-
MethionineMethionineME442153--7.33150.0583
7-Methylguanosine7-MethylguanosineME442044--7.35298.1145
5-Hydroxytryptophan5-Hydroxy-tryptophanME442036--7.36221.0921
Glycyl-leucineGly-LeuME442114--7.4189.1232
2-Acetylpyrazine2-AcetylpyrazineME441974--7.47123.0552
3-(1-Pyrazolyl)-alanine3-(1-Pyrazolyl)-alanineME441987--7.47156.0767
3-HydroxybutyrylcarnitineCAR 4:0;3OHME441996--7.48248.1492
3-Cysteinylacetaminophen-ME441991--7.5271.0746_293.0565
N-Methylthreonine-ME442194--7.5134.0811
EcgonineEcgonineME442101--7.52186.1124
4-Guanidinobutyric acid4-Guanidinobutanoic acidME442016--7.56146.0923
TyrosineTyrosineME442244--7.58182.0798
Ala-IleAla-IleME442055--7.61203.1387
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME442174--7.62210.0849
1_D3-L-Carnitine iSTD-ME441951--7.66165.1312
CarnitineCarnitineME442074--7.66162.1123
1_D9-Butyrobetaine iSTD-ME441954--7.67155.1738
(3-Carboxypropyl)trimethylammonium cation3-DehydroxycarnitineME441960--7.67146.1174
3-Guanidinopropionic acid3-Guanidinopropanoic acidME441993--7.67132.0754
Acetaminophen glucuronidep-AcetamidophenylglucuronideME442048--7.67328.1026
Gly-IleGly-IleME442117--7.67189.1234
N-MethylalanineN-MethylalanineME442186--7.67104.0706
Pipecolic acidPipecolic acidME442213--7.67130.0862
ProlineProlineME442216--7.67116.0706
TaurineTaurineME442233--7.68126.0219
1_D9-Crotonobetaine iSTD-ME441956--7.7153.1582
ErgothioneineErgothioneineME442102--7.72230.0996
3-Hydroxyprolinecis-3-HydroxyprolineME441997--7.8132.0654
4-Imidazoleacetic acidImidazoleacetic acidME442021--7.8127.0501
Gly-valGly-ValME442118--7.83175.1077
2-Phosphonobutyric acid-ME441982--7.85169.0276
PyridoxaminePyridoxamineME442220--7.85169.0971
L-Alanyl-.beta.-alanine-ME442141--7.86161.0919
N-epsilon-AcetyllysineN6-AcetyllysineME442179--7.96189.1232
1_D3-Creatine iSTD-ME441945--7.97135.0954
beta-Alaninebeta-AlanineME442070--7.9790.055
CreatineCreatineME442081--7.97132.0766
1_D3-DL-Alanine iSTD-ME441947--7.9893.0738
gamma-Glutamylleucinegamma-GlutamylleucineME442109--7.99261.1443
GlycyltyrosineGly-TyrME442115--8239.1072
N-AcetylhistidineN-AcetylhistidineME442168--8.01198.0873
N-Methylserine-ME442193--8.04120.0655
SucroseSucroseME442231--8.06365.1055
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME442164--8.07305.0979
3-Aminotyrosine-ME441990--8.08197.0895
Asp-pheAsp-PheME442067--8.09281.1132
Guanidinoacetic acidGuanidoacetic acidME442119--8.1118.0611
4-Methyl-1H-pyrazoleFomepizoleME442023--8.1283.0603
ThreonineThreonineME442237--8.13120.0655
Ala-AlaAla-AlaME442054--8.23161.0921
HomoserineHomoserineME442130--8.25120.0655
L-HomocitrullineHomocitrullineME442146--8.26173.0921
3,5-Dihydroxyphenylglycine-ME441989--8.27184.0579
GlycineGlycineME442112--8.2776.0393
Muramic acidMuramic acidME442157--8.27252.1076
N-Methylglutamic acidN-Methyl-glutamic acidME442188--8.27162.076
GalactosamineGalactosamineME442108--8.270_8.260-
D-Turanose-ME442100--8.310_8.300360.1500_365.1054
Leu-AspLeu-AspME442143--8.32247.1288
Methioninesulfoxide A-ME442154--8.43166.0532
PyroGlu-Pro-ME442222--8.46227.1003
GlutamineGlutamineME442111--8.47147.0763
1_D5-L-Glutamine iSTD-ME441952--8.48152.1077
Proline-hydroxyprolinePro-hydroxyProME442217--8.48229.1183
SerineSerineME442230--8.54106.0499
Allantoic acidAllantoic acidME442057--8.55177.0615
Pyroglutamic acidPyroglutamic acidME442223--8.66130.0498
S-Adenosyl-homocysteineS-AdenosylhomocysteineME442227--8.66385.1287
1_D3-DL-Glutamic acid iSTD-ME441949--8.67151.0791
5-Hydroxymethyl-6-methyluracil-ME442035--8.67157.0606
Glutamic acidGlutamic acidME442110--8.67148.0603
Guanidinosuccinic acidGuanidinosuccinic acidME442120--8.68176.0665
CitrullineCitrullineME442079--8.7176.1029
MaltoseMaltoseME442151--8.740_8.730-
3-Methyl-L-histidine3-MethylhistidineME442003--8.75170.0923
AgmatineAgmatineME442053--8.75131.129
N8-AcetylspermidineN8-AcetylspermidineME442163--8.76188.1756
N,N-DimethylarginineDimethylarginineME442159--8.84203.1502
LactitolLactitolME442140--8.88345.1267
NG,NG-Dimethyl-L-arginineDimethylarginineME442180--9.1203.1503
N-MethylhistidineN-MethylhistidineME442189--9.11170.0923
N-MethyllysineN(6)-MethyllysineME442191--9.11161.1283
PutrescinePutrescineME442219--9.1189.1073
1_D3-DL-Aspartic acid iSTD-ME441948--9.12137.0635
Aspartic acidAspartic acidME442065--9.13134.0447
Gly-Gly-GlyGly-Gly-GlyME442116--9.13190.081
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME442178--9.14189.1596
N-Acetylneuraminic acidN-Acetylneuraminic acidME442171--9.24310.1132
HistidineHistidineME442127--9.27156.0767
HomoarginineHomoarginineME442128--9.27189.1345
3-Methylhistidine3-MethylhistidineME442002--9.31170.0923
2-Aminoethylphosphonic acidCiliatineME441976--9.33126.0314
1_15N2-L-Arginine iSTD-ME441941--9.38177.1129
ArginineArginineME442062--9.38175.1189
AnserineAnserineME442061--9.45241.1295
Asp-GluAsp-GluME442066--9.46263.0875
L-LysineLysineME442149--9.46-
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine-ME442160--9.46110.0712
CarnosineCarnosineME442075--9.47227.1138
H-gamma-glutamyl-glutaminegamma-GlutamylglutamineME442124--9.51276.119
OrnithineOrnithineME442200--9.51-
S-Adenosyl-methionineS-AdenosylmethionineME442228--9.65399.1444
delta-Hydroxylysine5-HydroxylysineME442092--9.7163.1076
Asp-ArgAsp-ArgME442064--9.77290.1459
CystathionineCystathionineME442087--9.8223.0748
CystineCystineME442088--9.85241.031
L-HistidineHistidineME442145--9.94156.0767
OctopineOctopineME442199--9.96247.1399


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