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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
NPYR-ME873362--14.189101.07095
HexylamineHexylamineME873147--1.136102.12769
.alpha.-Chlorohydrin-ME873372--14.207111.02022
1-Vinyl-2-pyrrolidone-ME873298--1.927112.0757
Selsun-ME873436--0.849112.89581
1-pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME873316--1.246114.05502
ProlineProlineME873394--5.704116.07065
IndoleIndoleME873374--5.144118.06518
7-Octene-3,5-diyn-1-ol-ME873343--1.56121.06482
2-Methyl-5-propyloxazole-ME873276--4.347126.09137
FuraneolFuraneolME873317--4.687129.05467
5-Ethyl-4-hydroxy-3(2H)-furanone-ME873310--4.195129.05468
DihydrothymineDihydrothymineME873319--0.896129.06591
L-Pyroglutamic acidPyroglutamic acidME873156--2.34130.04987
CreatineCreatineME873234--0.906132.07679
DE1625000-ME873378--4.594135.05536
Benzylformamide-ME873323--5.36136.07572
TrigonellineTrigonellineME873166--0.926138.05495
1-(1-Ethyl-1H-pyrrol-2-yl)ethanone-ME873420--1.574138.09139
GuvacolineGuvacolineME873192--1.175142.08627
1-(3-Aminopropyl)-2-pyrrolidone-ME873410--4.346143.11795
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME873357--4.871144.04784
DL-StachydrineStachydrineME873142--0.977144.10191
Ethephon(2-chloroethyl)phosphonic acidME873429--14.195144.98223
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME873184--1.839146.08122
THTA2-Tetrahydrothiopheneacetic acidME873146--1.762147.04744
N-Acetylimidoquinone-ME873416--4.53150.05503
L-(-)-MethionineMethionineME873223--1.222150.05837
(2Z)-8-Hydroxy-2-octene-4,6-diynoic acid-ME873293--4.675151.03903
XanthineXanthineME873333--2.774153.04078
5-Nitro-o-toluidine5-Nitro-o-toluidineME873135--2.031153.06582
ST2975000-ME873300--3.784154.06116
lentiginosineLentiginosineME873132--1.133158.11752
8-Azabicyclo[3.2.1]octane-1,2,7-triol-ME873287--3.562160.09689
delta-guanidinovaleric acidDGVAME873130--1.39160.10802
PregabalinPregabalinME873174--1.268160.13321
L(-)-CarnitineCarnitineME873252--0.889162.11253
homomethionineHomomethionineME873155--1.771164.074
(E)-p-coumaric acid-ME873226--1.45165.05466
RicinineRicinineME873375--2.647165.06591
beta-Pyracin-ME873346--2.095166.04993
L-PhenylalaninePhenylalanineME873139--2.827166.08621
methylxanthineMethylxanthineME873185--3.095167.05632
Uric acidUric acidME873211--1.176169.0356
PYRIDOXAMINEPyridoxamineME873367--3.177169.09724
SL7800000-ME873238--3.185170.04485
PENICILLIC ACIDPenicillic acidME873389--4.699171.06525
2-Acetamido-2-ethylbutanamide-ME873353--2.984173.12852
5-guanidino-2-oxopentanoic acid-ME873291--0.987174.08737
9-Aminononanoic acid9-Aminononanoic acidME873175--2.278174.14891
4,4'-Thiobis(butan-2-one)-ME873210--5.342175.07877
N~2~-Acetyl-L-ornithineN-AcetylornithineME873158--1.358175.10774
5-methyltryptamine-ME873348--4.406175.12306
(2Z)-3-(1,3-Benzodioxol-5-yl)acrylaldehyde-ME873213--5.731177.05467
dihomomethionineDihomomethionineME873292--4.174178.0897
Hippuric acidHippuric acidME873137--5.145180.06551
5-methylthioribose5-MethylthioriboseME873358--1.032181.05299
Nicotinuric acidNicotinuric acidME873182--4.595181.06084
5-Allyl-3-methoxy-1,2-benzenediol-ME873356--6.928181.08601
8-hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME873285--2.266182.06729
L-TyrosineTyrosineME873168--1.449182.08117
1-Methyluric acid1-Methyluric acidME873258--2.44183.05124
4-Pyridoxic acid4-Pyridoxic acidME873351--3.941184.06052
apronalide-ME873133--4.347185.12837
trans-3-Indoleacrylic acidtrans-3-Indoleacrylic acidME873144--4.567188.07057
5-guanidino-3-methyl-2-oxopentanoic acid-ME873172--1.139188.10299
N6-AcetyllysineN6-AcetyllysineME873141--2.186189.12337
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME873370--0.837189.15997
HomocitrullineHomocitrullineME873232--1.146190.11869
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME873352--2.72192.06562
trihomomethionineTrihomomethionineME873171--5.344192.10534
α-Hydroxyhippuric acidalpha-Hydroxyhippuric acidME873264--4.045196.06051
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate-ME873443--4.864199.14424
N-3-oxo-pentanoyl-L-Homoserine lactone-ME873371--2.193200.09185
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME873278--7.155200.12823
3,6-Dioxodecanoic acid3,6-Dioxo-decanoic acidME873415--6.114201.11229
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME873164--1.395202.11865
(2E)-9,10-Dihydroxy-2-decenoic acid-ME873425--6.004203.12795
4-[(3-Acetamidopropyl)amino]butanoic acidN-AcetylisoputreanineME873178--1.043203.13905
(R)-curcumene-ME873344--7.817203.17954
Acetoacetyl-S-N-acetyl cysteamine-ME873239--4.871204.06899
Acetyl-L-carnitineCAR 2:0ME873143--1.083204.12304
D-(+)-TryptophanD-TryptophanME873160--4.567205.09718
Xanthurenic acidXanthurenic acidME873294--4.777206.04489
N-Acetyl-S-2-hydroxyethyl-L-cysteineN-Acetyl-S- (2-hydroxyethyl)-cysteineME873152--1.416208.06385
Formyl-5-hydroxykynurenamineFormyl-5-hydroxykynurenamineME873433--3.837209.0922
β-Asarone-ME873313--7.677209.11734
3-Amino-4-(2-cyano-1-pyrrolidinyl)-4-oxobutanoic a...-ME873288--0.987212.10308
ValylprolineVal-ProME873208--1.378215.13907
(6-Formyl-2-pyridinyl)methyl methanesulfonate-ME873434--1.704216.0326
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic ac...-ME873381--5.37217.0973
thr-proThr-ProME873145--1.953217.11829
AcetylarginineN-AcetylarginineME873199--1.032217.12959
ValylvalineVal-ValME873204--1.03217.15471
TURMERONE, AR--ME873196--7.081217.15879
(+)-ar-Turmerone-ME873253--8.117217.15881
PropionylcarnitineCAR 3:0ME873240--1.869218.13876
D-PANTOTHENIC ACIDPantothenic acidME873212--3.911220.11801
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME873201--1.959221.09215
N-[(2S)-2-Hydroxypropanoyl]methionine-ME873203--2.737222.07956
MiotineMiotineME873424--4.145223.14426
Ethamivan-ME873426--4.258224.12828
(2R,3S)-3-(4,7-Nonadienoyl)-2-oxiranecarboxamide-ME873401--7.603224.12831
Etilevodopa-ME873256--5.501226.10752
DL-CarbidopaCarbidopaME873197--3.775227.10272
C8-HSL-ME873437--5.562228.15958
Pro-Hyp-ME873194--0.947229.11837
Leu-proLeu-ProME873125--2.008229.15454
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide-ME873222--1.358230.18637
thymol sulfateThymol sulfateME873341--4.423231.06867
Dambonitol-ME873442--4.009231.08398
Valyl-4-hydroxyproline-ME873181--4.622231.13402
N~6~-[(Allyloxy)carbonyl]lysine-ME873318--3.539231.13406
Val-LeuVal-LeuME873438--4.722231.17047
val-asnVal-AsnME873259--2.146232.12925
C4-CarnitineCAR 4:0ME873136--3.979232.15427
8-(Methylsulfinyl)octyl isothiocyanate-ME873354--3.882234.09735
FormylkynurenineN-FormylkynurenineME873393--1.624237.08714
DL-Ala-DL-Phe-ME873307--4.405237.1235
BiopterinBiopterinME873379--1.436238.09358
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanami...-ME873368--6.67239.13922
dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME873345--1.362240.10923
3-(2,3-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin...-ME873302--6.39240.1232
(4-Phenyl-2H-1,2,3-triazol-2-yl)(1-pyrrolidinyl)me...-ME873231--6.028243.12283
Indole-3-acryloylglycine-ME873163--6.795245.09214
6,6a,9,10-Tetrahydro-2H,8H-[1,3]oxazino[3,2-a]pyrr...-ME873325--5.253245.09223
biotinBiotinME873331--3.551245.09556
4-Hydroxyprolylleucine-ME873177--5.926245.14966
Leu-LeuLeu-LeuME873441--5.593245.18612
2-methylbutyrylcarnitineCAR 4:0;2MeME873150--5.148246.17001
1-(6-Hydroxy-5-methoxy-3,8-dihydropyrrolo[2,3-b]in...-ME873209--5.355247.10783
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyrano...2,4-Diacetamido-2,4,6-trideoxy-alpha-mannoseME873180--4.143247.12893
hypaphorineLenticinME873149--5.074247.14409
pC-HSL-ME873187--5.354248.09181
N-(3-Carboxypropanoyl)methionine-ME873162--4.871250.07442
S(6)-acetyldihydrolipoamideS-AcetyldihydrolipoamideME873311--3.226250.09358
(3E)-6-(2,5-Dihydroxy-4-methylphenyl)-5-hydroxy-3-...-ME873326--7.677251.12792
N-feruloylglycineN-FeruloylglycineME873305--5.73252.08681
ser-pheSer-PheME873431--4.369253.11851
N-AcetylvanilalanineN-AcetylvanilalanineME873435--4.68254.1025
2-Amino-4-(1H-imidazol-4-yl)-6-methyl-5,6,7,8-tetr...-ME873369--3.128254.13886
N-(3,4-Dihydroxyphenyl)glutamine-ME873280--3.845255.09768
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...-ME873283--4.764255.1341
N,3,4,5-Tetramethoxy-N-methylbenzamide-ME873308--3.137256.11812
1-Isopropyl-3-(5-pyrimidinyl)-1H-pyrazolo[3,4-d]py...-ME873261--4.527256.12934
N~2~-[(2E)-3-Methyl-2-hexenoyl]-L-glutamine-ME873126--6.389257.14949
2-HexenoylcarnitineCAR 6:1ME873230--5.635258.17012
1-(beta-D-ribofuranosyl)thymineRibothymidineME873328--0.954259.09262
AcadesineAICARME873329--1.296259.1038
Nepsilon-Cyclopentyloxy-carbonyl-L-Lysine-ME873224--6.69259.16539
HexanoylcarnitineCAR 6:0ME873207--6.041260.18577
Caffeic acid 3-sulfateCaffeic acid 3-sulfateME873284--0.709261.00553
YK6000000-ME873301--6.022261.13343
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME873235--4.607261.14459
MFCD00672388-ME873336--6.092261.15993
O-SulfotyrosineSulfotyrosineME873225--1.7262.03805
NP-015114-ME873220--1.304262.1286
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...-ME873161--2.301262.16497
MethohexitalMethohexitalME873263--5.677263.13917
pro-phePro-PheME873454--4.121263.1392
N-Phenylacetylglutamic acidN-Phenylacetylglutamic acidME873236--6.062266.10246
Z-Leu-OH-ME873243--5.487266.13875
UridineUridineME873272--1.062267.05884
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...-ME873400--6.744267.12302
(2E)-N-(4-Amino-2-hydroxybutyl)-3-(3,4-dihydroxyph...-ME873228--6.67267.1341
N-Acetyl-L-carnosineN-AcetylcarnosineME873198--1.032269.12451
Methyl (3E)-5-[(1R,2R)-2-(2-methoxy-2-oxoethyl)-5-...-ME873334--7.678269.13852
1,4-Dihydro-4-imino-1-β-D-ribofuranosyl-3-pyrid...-ME873189--2.351271.09249
3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]decana...-ME873170--6.553272.18574
O-heptanoylcarnitineCAR 7:0ME873254--6.806274.20147
11H-Benzo[a]fluoren-11-ylacetic acid-ME873330--5.704275.10623
2-p-terphenylboronic acid-ME873404--1.418275.12391
S-(2-Acetamidoethyl) (4E)-3,7-dihydroxy-4-octeneth...-ME873245--5.781276.12655
HydroxyhexanoycarnitineCAR 6:0;OHME873219--4.496276.18064
H-DL-MET-DL-MET-OH-ME873409--5.007281.09947
L-alpha-Aspartyl-L-phenylalanine-ME873154--3.94281.11321
α-Aspartylphenylalanine-ME873218--4.953281.11332
MFCD02728197-ME873296--6.933281.14975
5-Bromotryptophan5-Bromo-tryptophanME873473--6.421283.00787
thr-tyrThr-TyrME873281--6.381283.12899
5-Methyl-N-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]...-ME873391--4.712284.11301
Supinine-ME873205--6.569284.18576
XanthosineXanthosineME873390--2.777285.08312
2-Amino-5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]p...-ME873165--4.586285.14457
N4-AcetylcytidineN4-AcetylcytidineME873314--3.786286.10347
5-(4-amino-1-ethyl-pyrazolo[3,4-d]pyrimidin-3-yl)-...-ME873270--2.278286.12856
(2E)-octenoylcarnitine-ME873124--6.906286.2011
Pentadecanoyl EthanolamidePentadecanoyl-EAME873459--8.237286.27429
AbacavirAbacavirME873167--5.001287.1602
C8-CarnitineCAR 8:0ME873190--7.003288.21704
2,6-Diisopropyl-4-trifluoroacetyl anisole-ME873282--5.581289.13964
DesethylchloroquineDesethylchloroquineME873246--5.874292.15791
AspartameAspartameME873277--5.124295.12889
TroxipideTroxipideME873309--4.516295.16537
3-(2,3-Dihydro-1-benzofuran-5-yl)-1-isopropyl-1H-p...-ME873173--4.697296.14926
N-[1-(Dihydroxyboryl)-2-phenylethyl]methioninamide-ME873322--6.29297.14467
batelapine-ME873413--4.143297.18107
5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineME873271--4.593298.09691
N2-Methylguanosine2-MethylguanosineME873206--3.129298.11462
3-oxo-C12-HSL-ME873303--7.001298.20144
N~6~-{[(2E)-2-Cycloocten-1-yloxy]carbonyl}lysine-ME873304--7.526299.19671
lycopsamineLycopsamineME873290--4.699300.18076
3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]dodeca...-ME873148--7.09300.21693
β-D-3-Ribofuranosyluric acid-ME873466--3.707301.07803
MFCD00272697-ME873439--5.787301.08548
3-(4-Fluoro-3-methoxyphenyl)-1-isopropyl-1H-pyrazo...-ME873244--6.557302.14222
TegaserodTegaserodME873186--5.838302.19632
3-hydroxy-cis-5-octenoylcarnitine-ME873289--5.004302.19634
3-[(2,6-Dimethylheptanoyl)oxy]-4-(trimethylammonio...-ME873127--7.279302.23238
7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(...-ME873384--5.559303.10112
terizidone-ME873451--4.926303.10766
N-(indol-3-ylacetyl)glutamine-ME873159--5.833304.12916
gamma-Glutamyl-N~5~-acetylornithine-ME873262--4.473304.15045
5-[(2-Methyl-2-propanyl)oxy]-4-({[(2-methyl-2-prop...-ME873200--4.799304.17555
3-hydroxyoctanoylcarnitineCAR 8:0;3OHME873188--6.543304.21196
DEMETHYLCHLORPROMAZINE-ME873248--4.194305.08683
(3S,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-...-ME873257--6.96306.17012
metioprim-ME873405--2.321307.12249
BuflomedilBuflomedilME873134--7.05308.18558
ISOCROMADURINEFulvineME873446--5.431310.1651
NadololNadololME873123--7.162310.20105
2-Amino-5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d...-ME873392--7.291311.16037
N2-DimethylguanosineN2,N2-DimethylguanosineME873169--4.25312.13016
(2E,4Z)-decadienoylcarnitine-ME873129--7.24312.2168
OseltamivirOseltamivirME873342--7.776313.21239
3-(3,4-Dimethoxyphenyl)-1-isopropyl-1H-pyrazolo[3,...-ME873183--4.833314.15985
cis-4-Decenoyl carnitineCAR 10:1ME873131--7.399314.23246
AlizaprideAlizaprideME873157--4.997316.1754
butoctamide-ME873266--5.95316.21207
DecanoylcarnitineCAR 10:0ME873373--7.611316.24841
(2S,3R)-2-Amino-17-methyl-1,3-octadecanediol-ME873217--8.256316.32091
2,6-Diisopropyl-4-(4',4',4'-trifluoro-3'-oxo-butyl...-ME873421--5.774317.17093
3-[(3-Hydroxynonanoyl)oxy]-4-(trimethylammonio)but...-ME873376--5.828318.22772
2-Amino-1,3,4-octadecanetriol-ME873465--8.139318.30051
1-Cyclopentyl-3-(1H-indol-5-yl)-1H-pyrazolo[3,4-d]...-ME873267--6.121319.16534
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]...-ME873273--1.306322.07696
Urothion-ME873419--4.787326.03782
Pancratistatin-ME873408--4.531326.08725
4-O-(a-D-Glucopyranosyl) moranoline-ME873275--3.919326.14597
4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,1...-ME873388--4.682326.16001
MFCD03094680-ME873269--5.7328.10292
9-Nitrooleate9-Nitrooleic acidME873195--7.573328.24835
Adenosine 3'5'-cyclic monophosphate3',5' cyclic AMPME873324--2.139330.05991
Lithospermoside-ME873458--5.843330.1186
ValclavamValclavamME873355--4.941330.16618
EUROPINE-ME873202--5.719330.19123
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoa...-ME873151--6.987330.22749
2,6-Diisopropyl-4-(4',4',4'-trifluoro-3'-oxo-butyl...-ME873407--4.75332.18186
3-[(3-Hydroxydecanoyl)oxy]-4-(trimethylammonio)but...-ME873338--6.879332.24333
Proglumide-ME873383--5.163335.19679
AnkorineAnkorineME873216--7.232336.21707
3-indole carboxylic acid glucuronide-ME873461--6.121338.08732
streptobiosamineStreptobiosamineME873337--4.926338.14477
Erucamide13Z-DocosenamideME873295--11.194338.34187
6-Methoxy-1H-indol-5-yl β-D-glucopyranosiduroni...-ME873380--4.93340.10295
5-[4-Amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4...-ME873179--5.88340.17559
5-(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimid...-ME873191--6.025340.17566
1-Cyclopentyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[...-ME873411--5.527340.17573
5-(4-amino-1-cycloheptyl-pyrazolo[3,4-d]pyrimidin-...-ME873428--7.414342.1736
fenetylline-ME873315--6342.1914
trans-2-DodecenoylcarnitineCAR 12:1(2E)ME873241--7.779342.2641
N-{1-[(2-Hydroxyethyl)amino]-1-oxo-2-propanyl}tetr...-ME873363--8.087343.29582
2,3,7,9,10,11-Hexahydro-1H-chromeno[6',5':4,5]imid...-ME873279--6.656344.2434
Cedefingol-ME873469--8.54344.31615
TheogallinTheogallinME873474--4.511345.08183
ISOFENPHOSIsofenphosME873339--1.204346.12467
O-sebacoylcarnitine-ME873227--6.64346.22264
3-[(3-Hydroxyundecanoyl)oxy]-4-(trimethylammonio)b...-ME873395--7.322346.25906
Miraxanthin-VDopamine-betaxanthinME873453--5.701347.12407
Indole-3-acetic-acid-O-glucuronide-ME873274--6.333352.10299
L-α-PALMITIN-ME873463--9.966353.26649
Arachidoyl EthanolamideEicosanoyl-EAME873468--8.514356.35265
(9Z)-3-hydroxydodecenoylcarnitine-ME873250--7.142358.25906
5-(2-Carboxyethyl)-2-hydroxyphenyl beta-D-glucopyr...-ME873462--4.227359.09757
2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]p...-ME873440--5.468360.12921
NitrendipineNitrendipineME873470--6.327361.13976
ixoroside-ME873365--5.828361.14967
MFCD00008585-ME873297--1.577365.17431
3, 5-TetradecadiencarnitineCAR 14:2(3,5)ME873399--7.92368.27987
(3R,5R)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidi...-ME873153--6.335369.12932
PerindoprilPerindoprilME873268--6.484369.23869
beta-Syringin-ME873387--5.937373.1497
3-[(3-Hydroxytridecanoyl)oxy]-4-(trimethylammonio)...-ME873471--8.358374.29051
6-[(4-Chlorobenzyl)sulfanyl]-3-[2-(4-methoxyphenyl...-ME873237--4.225376.12397
Talarozole-ME873321--6.516378.17625
Trabodenoson-ME873417--4.927381.15075
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2-dihydr...-ME873427--4.194382.13608
SuccinyladenosineSuccinyladenosineME873221--4.302384.11511
S-AdenosylhomocysteineS-AdenosylhomocysteineME873359--1.43385.12917
Artesunate-ME873335--6.713385.18613
S-inosyl-L-homocysteineS-Inosyl-L-homocysteineME873396--1.706386.11319
Bamifylline-ME873397--6.364386.21772
O-pentadecanoylcarnitine-ME873452--8.665386.32677
12-O-β-D-Glucopyranosyloxyjasmonic acid-ME873260--6.845389.18093
ProacaciberinProacaciberinME873349--6.551392.1555
Dimethyl(2-methyl-2-propanyl)[(2-phenyl-3,4,5,6-te...-ME873286--4.748393.22351
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]...-ME873361--6.644396.16905
(4S,7R,8S,9R,10S,11R,15S)-13-Isopropyl-3,7,15-trim...-ME873306--7.129399.20166
(5Z)-13-carboxytridec-5-enoylcarnitine-ME873312--6.979400.26975
MyriocinMyriocinME873247--6.999402.2853
N-Stearoyl-L-valine-ME873377--10.308406.32943
montirelin-ME873456--5.257409.16436
(2Z)-12-Hydroxy-2-(hydroxymethyl)-1-methoxy-11-met...-ME873242--7.554409.18605
Glucozaluzanin C-ME873444--6.027409.18622
26Q0EO75R3-ME873255--3.881413.12394
N6-threonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME873229--5.007413.14168
5-(2,3-Dihydroxy-3-methylbutyl)-4-[(3,3-dimethyl-2...-ME873332--7.757413.21739
O-heptadecanoylcarnitine-ME873472--8.96414.3582
milenperone-ME873366--5.743416.15548
Ethyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]...-ME873265--7.13417.21227
kuwanon C-ME873449--5.582423.18001
3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycycl...-ME873347--7.574426.21272
2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-beta-D-g...-ME873422--5.432427.15763
4-(1-Carboxyethyl)-3-hydroxy-2-(3-methyl-2-buten-1...-ME873432--7.719427.16041
Istamycin C1-ME873251--5.754432.28066
2-Hydroxy-3-(phosphonooxy)propyl (9Z,12Z,15Z)-9,12...-ME873299--6.557433.23712
[1-{[N~2~-(1H-Indol-3-ylacetyl)lysyl]amino}-3-(met...-ME873215--7.126435.22275
N-[(3beta,7beta)-3,7-Dihydroxy-24-oxochol-5-en-24-...-ME873176--7.811448.30583
20-hydroxy-leukotriene E420-Hydroxy-LTE4ME873398--6.613456.24197
O-(17-carboxyheptadecanoyl)carnitine-ME873467--8.492458.3481
FMNH2FMNHME873406--5.611459.12979
Militarinone AMilitarinone AME873403--8.358460.26963
pimozidePimozideME873193--6.645462.23378
Folinic acidN5-Formyl-THFME873423--4.617474.17361
5-{[(3-Chlorophenyl)amino]methyl}-N-{3-cyclohexyl-...-ME873447--6.67478.19236
Stigmatellin YStigmatellin YME873249--9.509485.2899
2-{(E)-2-[3,5-Dihydroxy-4-(3-methyl-2-buten-1-yl)p...-ME873327--6.792489.17731
(6S,7S,9Z)-17-Carboxy-6-hydroxy-9-heptadecen-7-yl ...-ME873386--7.899491.28557
Vorapaxar-ME873430--8.116493.24844
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-{3-[2-({[(2...-ME873414--7.534495.22291
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]tridecanami...-ME873360--9.524498.48824
4-Fluoro-N-(4-fluorobenzoyl)-N-{2-[4-(2-oxo-2,3-di...-ME873385--7.673505.20325
DAMGODAMGOME873340--7.536514.26497
TRILAURYLAMINE-ME873364--10.604522.59754
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]pentadecana...-ME873138--9.772526.51879
isodesmosine-ME873402--7.654527.29672
N-[(Benzyloxy)carbonyl]-D-phenylalanyl-N~6~-{[(2-m...-ME873382--8.357528.27057
6-[(Hexopyranosyloxy)methyl]-6,12-dihydroxy-11-met...-ME873214--5.356529.2295
UNC1215-ME873233--9.509530.34746
(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-6-...-ME873418--4.162533.23916
N-{(3R)-15-Methyl-3-[(12-methyltridecyl)oxy]hexade...-ME873460--9.872540.49906
C17 dihydro Ceramide (d18:0/17:0)-ME873128--10.067554.54988
(2R)-2-(Decanoyloxy)-3-({[(2S)-2,3-dihydroxypropox...-ME873450--7.545555.32795
perphenazine decanoate-ME873350--7.134558.29106
N-[(2S,3R,4E,6R)-1,3,6-Trihydroxy-4-octadecen-2-yl...-ME873464--10.169568.53026
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]hepta...-ME873448--9.747570.54556
Decuroside III-ME873445--3.776571.19967
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]nonadecanam...-ME873140--10.455582.58114
Cholic acid glucuronideCholic acid glucuronideME873320--7.52585.32723
Zizybeoside II-ME873455--3.106595.22217
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonad...-ME873412--10.029598.57689
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]henic...-ME873457--10.396626.60806


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-MethylphenolP-CresolME873524--6.181107.05008
2-Furoic acid2-Furoic acidME873539--1.231111.00858
Trifluoroacetic acidTrifluoroacetic acidME873541--1.134112.9854
Ethyl sulfate-ME873483--1.04124.99119
Mesaconic acidMesaconic acidME873495--1.259129.01905
Benzylformamide-ME873516--5.04134.06082
Deferiprone-ME873735--1.948138.05569
7-Oxoheptanoic acid-ME873643--4.582143.07099
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME873553--1.725144.06624
alpha-Ketoglutaric acid2-Oxoglutaric acidME873641--0.957145.01387
D-(-)-GlutamineD-GlutamineME873546--5.252145.06147
XanthineXanthineME873702--1.272151.02574
Non-2-enoic acid-ME873672--7.013155.10729
2-isopropylmaleic acidIsopropylmaleateME873537--4.462157.05012
N-IsovalerylglycineIsovalerylglycineME873685--4.362158.08174
benzal chlorideBenzal chlorideME873652--0.685158.97808
1-Methylxanthine1-MethylxanthineME873509--2.839165.04125
Uric acidUric acidME873499--1.084167.02049
2-Furoylglycine2-FuroylglycineME873545--2.975168.02965
4,7-Dioxooctanoic acid4,7-Dioxo-octanoic acidME873583--5.943171.06571
4-Phenolsulfonic acid4-Hydroxybenzenesulfonic acidME873479--4.486172.99077
trans-Aconitic acidtrans-Aconitic acidME873494--1.277173.00855
AC-ASN-OH-ME873730--0.92173.05616
Suberic acidSuberic acidME873532--6.261173.08132
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME873699--0.961174.0402
UF7990000-ME873534--2.07177.02211
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME873478--5.039178.05034
PropylparabenPropylparabenME873651--8.063179.07071
5-Pentylresorcinol-ME873630--7.127179.10716
8-hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME873664--2.109180.05207
9-Methyluric acid9-Methyluric acidME873586--1.9181.03613
MW5143500-ME873596--4.586181.05002
4-Pyridoxic acid4-Pyridoxic acidME873528--1.949182.04525
10-Undecenoic acid10-Hendecenoic acidME873674--7.798183.13845
N-[(3S)-2-Oxotetrahydro-3-furanyl]pentanamide-ME873613--6.043184.09728
p-Cresylsulfate-ME873475--6.181187.00641
MFCD20640990-ME873676--4.596187.06055
Tetrahydro-2,5-furan-diacetic acid-ME873642--4.166187.06061
Azelaic acidAzelaic acidME873505--6.793187.09691
3-Hydroxysuberic acid3-Hydroxysuberic acidME873654--4.143189.07618
2-Hydroxyhippuric acidSalicyluric acidME873513--3.898194.04518
Gluconic acidGluconic acidME873573--0.824195.05036
TauropineTauropineME873719--0.955196.0278
HHLHis-His-LeuME873530--7.049198.11289
4-vinylphenol sulfate4-HydroxystyreneME873521--6.914199.00637
Decenedioic acidDecenedioic acidME873517--6.985199.09689
cladosporacid E-ME873634--5.988199.09692
CapryloylglycineNA-Gly 8:0ME873527--7.278200.12852
3-Methylazelaic acid-ME873522--5.905201.11257
guaiacol sulfateGuaiacol sulfateME873482--5.67203.00126
2-Hydroxy-7-methyloctanedioic acid-ME873734--5.368203.09179
Xanthurenic acidXanthurenic acidME873705--4.669204.02948
5-aminosalicyluric acid5-Aminosalicyluric acidME873566--3.01209.056
alpha-D-manno-heptulopyranoseManno-heptuloseME873732--0.845209.06594
Methyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate-ME873715--6.544211.06045
n-Propyl GalIate-ME873626--4.319211.06046
3-Indoxyl sulphateIndoxyl sulfateME873476--5.154212.00154
Succinyl prolineSuccinylprolineME873689--3.716214.07136
2-C-methylerythritol 4-phosphate2-C-Methyl-D-erythritol 4-phosphateME873604--0.814215.03209
thr-proThr-ProME873496--1.805215.10294
tyramine sulfate-ME873648--1.702216.0328
Sulfosalicylic AcidSulfosalicylic acidME873554--4.652216.9805
4,4,4-Trifluoro-3-phenylbutanoic acid-ME873740--0.808217.04771
2-hydroxysebacic acid-ME873599--6.5217.10735
3-Hydroxysebacic acid3-Hydroxysebacic acidME873568--6.195217.10737
AniracetamAniracetamME873590--7.173218.08146
D-PANTOTHENIC ACIDPantothenic acidME873575--3.756218.10263
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME873708--1.81219.07671
N-[(2S)-2-Hydroxypropanoyl]methionine-ME873595--2.556220.06406
(5-Oxo-2-sulfo-2,5-dihydro-2-furanyl)acetic acid-ME873585--2.25220.97533
N-Acetyl-L-tyrosineN-AcetyltyrosineME873722--4.71222.07636
DL-CeruleninCeruleninME873549--7.5222.1128
4-hydroxy-6-(2-oxoheptyl)pyran-2-one-ME873650--7.121223.09681
ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbo...-ME873679--1224.02265
N-(3-Hydroxy-4-methoxybenzoyl)glycine-ME873582--4.56224.05563
5-(3,4-Dihydroxyphenyl)-4-hydroxypentanoic acid-ME873720--6.91225.07606
porphobilinogenPorphobilinogenME873571--3.601225.08732
12-hydroxyjasmonic acid12-Hydroxyjasmonic acidME873597--7.278225.11245
Pro-Hyp-ME873644--3.998227.10295
Traumatic AcidTraumatic acidME873617--7.962227.12806
(2E)-3-(2-Hydroxyphenyl)-2-propen-1-yl hydrogen su...-ME873518--7.258229.01679
thymol sulfateThymol sulfateME873507--7.732229.05316
Valyl-4-hydroxyproline-ME873547--4.504229.11852
paracetamol sulfateParacetamol sulfateME873477--3.503230.01201
asn-valAsn-ValME873616--1.992230.11378
2-Acetyl-5-hydroxyphenyl hydrogen sulfate-ME873512--4.574230.99602
DIACETIN MONOPROPANOATE-ME873686--4.198231.08659
dopamine 4-O-sulfateDopamine 4-sulfateME873667--1.546232.02763
SulbactamSulbactamME873558--1.674232.02766
4-Ethyl-2,6-dihydroxyphenyl hydrogen sulfate-ME873488--5.107233.01164
SECONAL-ME873691--6.789237.1236
5,6-Dihydroxy-2-naphthalenesulfonic acid-ME873548--7.433239.00117
(E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME873536--5.834242.99608
3-(3-Oxobutyl)phenyl hydrogen sulfate-ME873481--7.288243.03238
PseudouridinePseudouridineME873544--0.984243.06139
Indole-3-acryloylglycine-ME873519--6.702243.07661
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid-ME873605--6.864243.12291
4-Hydroxyprolylleucine-ME873552--5.84243.13413
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate-ME873502--5.586245.01167
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME873758--0.816245.0425
N-Acetyl-Trp-OH-ME873602--6.692245.09214
asp-leuAsp-LeuME873707--3.997245.11338
3-Hydroxydodecanedioic acid3-Hydroxy-dodecanedioic acidME873663--7.611245.13854
N-[2-Hydroxy-4-(sulfooxy)phenyl]acetamide-ME873598--4.634246.00695
forchlorfenuronForchlorfenuronME873750--2.187246.04324
4-Ethyl-2-hydroxy-6-methoxyphenyl hydrogen sulfate-ME873525--5.035247.02724
N-(3-Carboxypropanoyl)methionine-ME873490--4.767248.05886
3,4-Dihydroxyphenylglycol O-sulfate3,4-Dihydroxyphenylglycol O-sulfateME873608--2.482249.00656
Trolox-ME873697--7.398249.1123
N-feruloylglycineN-FeruloylglycineME873556--5.628250.07118
N-(4-Hydroxy-3-methoxybenzyl)hexanamide-ME873710--7.723250.14397
N-(3,4-Dihydroxyphenyl)glutamine-ME873618--3.688253.08209
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleu...-ME873700--4.279253.11847
HC Blue 1-ME873753--4.408254.11376
N~2~-[(2E)-3-Methyl-2-hexenoyl]-L-glutamine-ME873492--6.283255.13414
2-Methyl-2-propanyl {4-oxo-4-[(3-oxopropyl)amino]b...-ME873619--6.588257.14977
Tetradecanedioic acidTetradecanedioic acidME873704--8.121257.1749
p-sulfooxyphenylpyruvic acid-ME873510--5.282258.99088
[3-(4-Methoxyphenyl)-2-oxiranyl]methyl hydrogen su...-ME873508--7.004259.02721
YK6000000-ME873609--5.918259.1178
Leu-GluLeu-GluME873709--4.488259.12905
O-SulfotyrosineSulfotyrosineME873574--5.258260.02254
3-[4-Hydroxy-3-(sulfooxy)phenyl]propanoic acidDihydrocaffeic acid 3-sulfateME873485--4.56261.00652
[3,5-Dihydroxy-4-(sulfooxy)phenyl]acetic acid-ME873489--4.305262.98574
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME873551--5.872263.02216
N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME873480--5.254263.10275
threonylphenylalanineThr-PheME873669--6.575265.1184
5-[5-(2-Carboxyethyl)-3,4-dimethyl-2-furyl]pentano...-ME873580--8.118267.12283
Methyl (3E)-5-[(1R,2R)-2-(2-methoxy-2-oxoethyl)-5-...-ME873684--7.103267.12288
Teriflunomide-ME873756--0.837269.05366
Phenyl D-glucopyranosiduronic acid-ME873695--4.882269.06573
Ferulic acid 4-sulfateFerulic acid 4-sulfateME873486--5.557273.0065
4-(2-Chlorophenyl)-1,3-dimethyl-1,6,7,8-tetrahydro...-ME873718--5.603273.09046
Methyl O-sulfo-L-tyrosinate-ME873581--4.571274.03808
3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acidDihydroferulic acid 4-sulfateME873501--5.439275.02216
lactucinLactucinME873698--7.334275.09156
5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methyl-2,4-im...-ME873696--3.286276.05377
3,5-Dimethoxy-4-(sulfooxy)benzoic acid-ME873569--4.26277.00142
3-[(Z)-(2-Hydroxy-2-methyl-5-oxo-3-cyclopenten-1-y...-ME873591--7.203277.10719
(3-Iodophenyl)acetyl chloride-ME873757--0.625278.90672
phe-aspPhe-AspME873533--3.793279.09763
L-alpha-Aspartyl-L-phenylalanine-ME873703--4.268279.09765
6-Hydroxy-1a,5,7a-trimethyl-2,2a,6,6a,7a,8,9,9a-oc...-ME873694--7.221279.12282
MFCD02728197-ME873744--6.837279.134
5'-Oxoinosine-ME873724--0.994281.05364
thr-tyrThr-TyrME873723--6.28281.11329
XanthosineXanthosineME873610--2.592283.06743
2-(2-Carboxyethyl)-5-(4-hydroxypentyl)-4-methyl-3-...-ME873687--6.957283.11773
(4R,5S,9S,10R,12S,13S)-1,5,9-Trimethyl-11,14,15,16...-ME873579--6.549283.15412
N4-AcetylcytidineN4-AcetylcytidineME873670--3.625284.08784
Diphenol glucuronide-ME873736--4.797285.06063
2-Hydroxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phe...-ME873491--5.809287.02213
ascr#13-ME873729--6.952287.14903
3-[3-Methoxy-4-(sulfooxy)phenyl]-2-oxiranecarboxyl...-ME873593--5.524289.00136
aplysin-ME873752--2.874293.05364
MethdilazineMethdilazineME873621--5.715295.12889
N2-Methylguanosine2-MethylguanosineME873673--2.916296.09902
2-(Benzyloxy)-3,4,5,6-tetrafluorobenzoic acid-ME873737--4.174299.03331
β-D-3-Ribofuranosyluric acid-ME873688--3.548299.06229
4-(beta-D-glucosyloxy)benzoic acid-ME873690--5.504299.07624
promazine sulfoxide-ME873500--4.597299.12383
Pyrogallol-2-O-glucuronide-ME873584--3.046301.05548
ascr#3-ME873627--7.703301.16458
N-(indol-3-ylacetyl)glutamine-ME873538--5.735302.11359
Sinapinic acid-O-sulphate-ME873498--5.319303.01695
4-(4-Phenyl-1-buten-2-yl)phenyl hydrogen sulfate-ME873567--4.058303.07113
INDOLEACETYL GLUTAMIC ACID-ME873749--6.551303.09768
Zaleplon-ME873638--7.273304.12141
5-(3,4-Dihydroxyphenyl)-4-hydroxypentanoyl hydroge...-ME873594--4.656305.03262
(2E)-3-(4,5-Dihydroxy-2,3-dimethoxyphenyl)-2-prope...-ME873637--5.263305.03263
Isoprothiolane sulfoxideIsoprothiolane sulfoxideME873677--2.18305.05358
N2-DimethylguanosineN2,N2-DimethylguanosineME873680--4.115310.11466
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl b...-ME873682--7.26313.16465
FebuxostatFebuxostatME873743--2.179315.08224
brompheniramineBrompheniramineME873678--3.214317.06477
2-(3-Methyl-4-morpholinyl)-8-(trifluoromethyl)-6,7...-ME873555--7.044317.12316
N-[2-(4-Amino-5,8-difluoro-1,2-dihydro-2-quinazoli...-ME873563--4.82319.10241
Octanoyl-β-D-glucuronide-ME873601--7.32319.13874
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]...-ME873636--1.164320.06126
5-Methyl dCMP-ME873747--3.629320.06445
Dihyroxy-1H-indole glucuronide I-ME873576--1.835324.07141
(3aS,5aS,9R,10aS)-8,9-Dihydroxy-9-(2-methyl-2-prop...-ME873600--6.859325.09192
Hinokitiol glucoside-ME873624--7.211325.12823
Acetaminophen glucuronidep-AcetamidophenylglucuronideME873661--4.906326.08711
Sulfazamet-ME873665--3.212327.09356
ValclavamValclavamME873653--4.833328.15035
8-Epiiridodial glucoside8-Epiiridodial glucosideME873559--7.302329.15955
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl hexopy...-ME873503--7.426331.17523
(Sulfooxy)methyl 5-(3,4-dihydroxyphenyl)-4-hydroxy...-ME873717--4.187335.04313
Estra-1,3,5(10)-trien-3-yl hydrogen sulfate-ME873666--6.646335.13369
3-indole carboxylic acid glucuronide-ME873640--6.016336.07144
MUD-ME873633--7.092337.09183
6-Methoxy-1H-indol-5-yl β-D-glucopyranosiduroni...-ME873655--4.825338.08706
trans-isoeugenol-O-glucuronide-ME873511--6.955339.10725
(8Z)-10-(beta-D-Glucopyranosyloxy)-8-decene-4,6-di...-ME873550--7.197339.10726
(3R)-3-Methyl-4-{[(2-methyl-2-propanyl)(diphenyl)s...-ME873660--7.488339.18001
1-Caffeoyl-beta-D-glucose-ME873692--5.368341.08652
Abietin-ME873526--7.322341.12293
TheogallinTheogallinME873557--4.381343.06579
(4E)-5-Methyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-(4-p...-ME873649--3.3345.08143
[3-(Hydroxymethyl)-3-methyl-2-oxobicyclo[2.2.1]hep...-ME873561--6.04345.15419
Indole-3-acetic-acid-O-glucuronide-ME873487--6.222350.0868
6-Methoxy-2-oxo-3,4-dihydro-2H-chromen-7-yl beta-D...-ME873570--6.847355.10211
GentiopicrinGentiopicrinME873540--5.503355.10217
2-(2-Carboxyethyl)-5-hydroxyphenyl hexopyranosidur...-ME873515--4.087357.08143
3-Methoxy-4-hydroxyphenylglycol glucuronide-ME873733--5.282359.09695
ixoroside-ME873542--6.398359.13345
4-[(E)-2-Carboxyvinyl]-2-methoxyphenyl beta-D-gluc...-ME873612--4.924369.08133
5-[(E)-2-Carboxyvinyl]-2-methoxyphenyl beta-D-gluc...-ME873693--5.774369.08135
Androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME873497--8.232369.17272
salicyluric beta-D-glucuronideSalicyluric glucuronideME873587--4.55370.07656
4-(2-Carboxyethyl)-2-methoxyphenyl beta-D-glucopyr...-ME873578--5.538371.09697
beta-Syringin-ME873628--5.831371.13332
4-[(E)-2-{3,5-Dihydroxy-4-[(1E)-3-methyl-1,3-butad...-ME873713--4.893373.07622
Gardoside-ME873523--6.364373.1126
SecologanateSecologanateME873603--4.006373.11264
loganateLoganic acidME873531--6.458375.12823
Tixocortol-ME873615--6.826377.18036
2-trans,6-trans-farnesyl diphosphate(3-)Farnesyl diphosphateME873639--7.889378.10027
1-{4-Amino-5-(4-methylphenyl)-7-[3-(2-propyn-1-yla...-ME873625--8.018378.17308
ecabetEcabetME873506--6.441379.1595
Mefruside-ME873745--2.59381.03437
SuccinyladenosineSuccinyladenosineME873622--4.179382.09903
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-...-ME873662--5.49383.09698
16alpha-hydroxydehydroepiandrosterone 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME873514--7.23383.15199
Artesunate-ME873701--6.615383.16974
4,7-Dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-...-ME873681--5.64385.11266
12-O-β-D-Glucopyranosyloxyjasmonic acid-ME873572--7.115387.16465
dopaxanthinDopaxanthinME873738--3.902389.09758
LoganinLoganinME873629--6.757389.14393
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D...-ME873716--7.623389.1803
Nigakilactone N-ME873535--7.745393.19045
Nigakilactone M-ME873675--8.044393.19047
3,8-Dihydroxy-1,10-dimethoxy-5,5-dimethyl-5a,6-dih...-ME873657--6.842395.11547
Etarotene-ME873504--7.931395.20599
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O...-ME873739--6.993397.11258
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-gl...-ME873725--5.64397.11259
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O...-ME873706--5.62401.10745
Glucozaluzanin C-ME873606--7.462407.16964
Cholic acidCholic acidME873728--7.829407.27878
2-Amino-5-[4-(carboxymethoxy)-5,7-dinitro-2,3-dihy...-ME873751--3.906411.07943
Aklavinone-ME873712--3.73411.10774
N6-threonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME873671--4.9411.12549
5-(2,3-Dihydroxy-3-methylbutyl)-4-[(3,3-dimethyl-2...-ME873632--6.957411.2009
Methyl 5-hydroperoxy-5-{5'-[(1E,3E)-1,3-nonadien-1...-ME873564--7.723413.21655
Ethyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]...-ME873592--7.494415.19584
Filorexant-ME873656--7.417419.19081
4-(1-Carboxyethyl)-3-hydroxy-2-(3-methyl-2-buten-1...-ME873635--6.69425.14384
(+)-abscisic acid beta-D-glucopyranosyl ester-ME873645--7.508425.18018
(2E,4E,6E,9S,10R)-9-(beta-D-Glucopyranosyloxy)-4,1...-ME873646--7.475429.17505
BuclizineBuclizineME873727--7.787431.22705
(1aR,5aS,7aS,8aS,9aS,9dS)-5a,7a-Dimethyl-5'-oxoico...-ME873493--7.037433.20632
dihydrophaseic acid 4-O-beta-D-glucoside-ME873714--5.616443.19067
4-[2-(4-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]...-ME873668--7.707443.22703
sn-3-O-(Geranylgeranyl)glycerol 1-phosphate-ME873742--7.83443.25534
N-[(3beta,7beta)-3,7-Dihydroxy-24-oxochol-5-en-24-...-ME873588--7.727446.28959
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME873726--7.697448.30523
Cediranib-ME873560--6.721449.20116
10-Butyryl-5-hydroxy-8,8-dimethyl-2-oxo-4-propyl-7...-ME873620--7.065453.12091
2-(2-Carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro...-ME873721--6.943453.17502
3-(Carboxymethyl)-2,6-dihydroxy-4-methoxy-5-(3-met...-ME873711--6.684457.13354
8,12-Dihydroxy-2,2',2',6,9,13-hexamethyl-16-methyl...-ME873746--7.833457.18869
PaeonolidePaeonolideME873589--6.647459.14921
(1S,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,...-ME873565--6.345459.18556
PaucinPaucinME873647--7.263467.1906
Chenodeoxycholic acid 3-sulfateChenodeoxycholic acid 3-sulfateME873623--8.268471.24049
2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-c...-ME873562--6.897473.14365
Taprenepag-ME873754--3.87477.12321
4,15-Diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-e...-ME873611--7.362481.20623
8-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-10-(4'...-ME873659--7.092481.24259
(6R,7R,9Z)-17-Carboxy-7-hydroxy-9-heptadecen-6-yl ...-ME873543--7.799489.26883
GlaucarubinGlaucarubinME873658--7.431495.22192
Methyl (5Z,9alpha,11alpha,13E,15S)-11,15,18-triace...-ME873631--7.635509.2737
gibberellin A2 O-beta-D-glucoside-ME873741--7.435511.21676
(25S)-11alpha,20,26-trihydroxyecdysone-ME873577--7.454511.28934
1-(3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-4-...-ME873748--6.743513.23231
6-[(Hexopyranosyloxy)methyl]-6,12-dihydroxy-11-met...-ME873731--7.182527.21165
Dutasteride-ME873484--5.253527.21279
Glycoursodeoxycholic acid 3-sulfateGlycoursodeoxycholic acid 3-sulfateME873520--7.926528.26175
(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-6-...-ME873755--4.023531.22238
Cholic acid glucuronideCholic acid glucuronideME873614--7.425583.31044
Nicofuranose-ME873529--6.538599.14209
(3S)-3-({N-[(Benzyloxy)carbonyl]-L-phenylalanyl}am...-ME873607--7.052600.28288
(3beta,4beta,5beta,6beta,15alpha,16beta,25S)-6,8,1...-ME873683--7.36613.35715


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