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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Piperidone2-PiperidinoneME430882--1.787100.07547
5-VALEROLACTONE5-ValerolactoneME430883--0.803101.06001
HexylamineHexylamineME430884--25.57102.12822
2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-tr...-ME431597--9.0981031.59033
4-AMINOBUTANOIC ACIDgamma-Aminobutyric acidME430885--0.817104.07005
CHOLINECholineME430886--0.789104.10686
BENZALDEHYDEBenzaldehydeME430887--1.631107.04945
CatecholPyrocatecholME430888--3.366109.02689
3-Aminophenol; LC-tDDA; CE10-ME430889--2.012110.05898
CYTOSINECytosineME430890--1.049112.04785
URACILUracilME430891--1.019113.03245
CREATININECreatinineME430892--9.713114.06358
GAMMA-CAPROLACTONEgamma-CaprolactoneME430893--3.8115.07341
L-ProlineProlineME430894--0.689116.0699
ProlineProlineME430895--4.302116.07001
3-METHYL-2-OXOBUTANOIC ACIDKetoisovaleric acidME430896--2.635117.0539
GlycocyamineGuanidoacetic acidME430897--0.866118.06264
INDOLEIndoleME430898--2.618118.06318
NorvalineNorvalineME430899--2.567118.06445
BETAINEBetaineME430900--13.07118.08475
Betaine; CE30BetaineME430901--20.698118.08524
ValineValineME430902--3.076118.08575
ANTHRANILATE2-Aminobenzoic acidME430903--2.27120.04327
2-Hydroxybenzonitrile2-HydroxybenzonitrileME430904--4.295120.04359
ThreonineThreonineME430905--0.872120.06351
IndolineIndolineME430906--5.187120.079
PHENYLETHANOLAMINE2-HydroxyphenethylamineME430907--1.64120.08105
Benzoic acidBenzoic acidME430908--15.234121.02518
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME430909--13.953121.03165
TyramineTyramineME430910--6.684121.064
CysteineCysteineME430911--3.568122.0252
2,4,6-Trimethylpyridine2,4,6-TrimethylpyridineME430912--23.4122.09402
2,6-Xylidine2,6-DimethylanilineME430913--28.882122.09538
NicotinamideNiacinamideME430914--1.056123.05419
2-Acetylpyrazine2-AcetylpyrazineME430915--0.813123.05442
Picolinic acidPicolinic acidME430916--2.792124.03841
NICOTINIC ACIDNicotinic acidME430917--1.065124.03878
4-Methoxyanilinep-AnisidineME430918--1.122124.07616
Taurine; LC-tDDA; CE40TaurineME430919--0.824126.02154
Taurine; LC-tDDA; CE10TaurineME430920--0.88126.02155
5-Methylcytosine5-MethylcytosineME430921--0.839126.05625
3-METHYLHISTAMINE3-MethylhistamineME430922--0.707126.10323
4-Hydroxy-6-methyl-2-pyrone-ME430923--2.692127.03822
MaltolMaltolME430924--2.515127.03873
3-HYDROXY-2-METHYL-4-PYRONEMaltolME430925--1.509127.03883
THYMINEThymineME430926--1.438127.04957
NaphthaleneNaphthaleneME430927--12.185128.0611
DL-ConiineConiineME430928--2.117128.14113
PyroglutamatePyroglutamic acidME430929--1.054130.0477
5-OXO-D-PROLINE5-Oxo-D-prolineME430930--3.752130.04895
PYROGLUTAMIC ACIDPyroglutamic acidME430931--1.301130.04916
delta-Aminolevulinic acid5-Amino-levulinic acidME430932--7.103130.05072
Quinoline; LC-tDDA; CE30QuinolineME430933--5.303130.06227
Indole-3-carbinolIndole-3-carbinolME430934--5.11130.06276
Quinoline; LC-tDDA; CE20QuinolineME430935--2.618130.06422
PIPECOLIC ACIDPipecolic acidME430936--0.693130.08659
PIPECOLINIC ACIDPipecolic acidME430937--1.029130.08675
N-acetyl putrescineN-AcetylputrescineME430938--0.815131.11531
5-HYDROXYINDOLE5-HydroxyindoleME430939--3.443132.04341
CREATINECreatineME430940--0.802132.07626
2-Methylindole2-MethylindoleME430941--2.5132.07909
IsoleucineIsoleucineME430942--2.54132.09056
LeucineLeucineME430943--1.257132.10265
AspartateAspartic acidME430944--1.062134.04379
2-Oxindole; LC-tDDA; CE20Indolin-2-oneME430945--3.378134.0591
2-Oxindole; LC-tDDA; CE10Indolin-2-oneME430946--3.286134.0593
2-Oxindole; LC-tDDA; CE40Indolin-2-oneME430947--3.434134.05931
2-Phenylglycine [M+H-NH2]+; AIF; CE10; MS2Dec2-PhenylglycineME430948--5.5135.04213
2-Phenylglycine [M+H-NH2]+; AIF; CE0; MS2Dec2-PhenylglycineME430949--4.272135.0423
N-METHYLNICOTINAMIDEN-MethylnicotinamideME430950--2.792135.05377
2-Benzoxazolinone2-BenzoxazololME430951--2.123136.04071
AdenineAdenineME430952--0.808136.04747
P-OCTOPAMINEOctopamineME430953--1.061136.07445
2-Aminoacetophenone2-AminoacetophenoneME430954--1.593136.07458
2-PHENYLACETAMIDE2-PhenylacetamideME430955--3.749136.07512
HypoxanthineHypoxanthineME430956--2.101137.04395
ThioninThioninME430957--2.156137.04535
P-ANISALDEHYDE-ME430958--2.885137.05876
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME430959--0.789137.06778
4-AMINOBENZOIC ACIDp-Aminobenzoic acidME430960--2.04138.05286
TrigonellineTrigonellineME430961--0.819138.05319
2-Aminobenzoic acid2-Aminobenzoic acidME430962--4.31138.05428
Salicylic acidSalicylic acidME430963--5.962139.03667
3-HYDROXYBENZOIC ACID3-Hydroxybenzoic acidME430964--3.03139.03728
UROCANATEUrocanic acidME430965--0.837139.05075
IsophoroneIsophoroneME430966--7.518139.11061
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE2-Ethyl-3-hydroxy-4H-pyran-4-oneME430967--2.241141.05272
Gentisyl alcoholGentisyl alcoholME430968--2.792141.05461
Methylimidazoleacetic acid; LC-tDDA; CE30Methylimidazoleacetic acidME430969--0.815141.06554
4-Hydroxyquinoline4-HydroxyquinolineME430970--2.927144.04347
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME430971--0.843144.04517
2-Naphthylamine2-AminonaphthaleneME430972--2.506144.07925
L-beta-Homoleucine-ME430973--0.836144.10118
Tripropilamine-ME430974--3.148144.1736
2-Naphthalenol2-NaphtholME430975--7.038145.06305
6-Quinolinol-ME430976--3.062146.05829
Quinolone2-HydroxyquinolineME430977--4.389146.05928
3-Formylindole1H-Indole-3-carboxaldehydeME430978--2.626146.0594
2-Hydroxyquinoline2-HydroxyquinolineME430979--4.883146.05943
8-HydroxyquinolineQuinolin-8-olME430980--2.346146.05948
4-Acetamidobutyric acid4-Acetamidobutanoic acidME430981--1.211146.08243
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME430982--0.977146.0923
DEOXYCARNITINE3-DehydroxycarnitineME430983--0.822146.11751
L-beta-Homoisoleucine-ME430984--3.03146.11758
SpermidineSpermidineME430985--0.689146.16566
Coumaric acid (isomer of 189, 194)cis-p-Coumaric acidME430986--2.767147.04349
COUMARINCoumarinME430987--1.059147.04468
GlutamineGlutamineME430988--0.869147.07419
L-GlutamineGlutamineME430989--4.033147.07588
Methyl trans-styryl ketone-ME430990--13.785147.08107
Lysine; LC-tDDA; CE40LysineME430991--0.696147.11122
LysineLysineME430992--4.758147.11523
Glutamic acidGlutamic acidME430993--0.782148.05882
L-Glutamic acidGlutamic acidME430994--4.621148.05954
GlutamateGlutamic acidME430995--0.883148.0612
Phthalic acidPhthalic acidME430996--12.756149.02168
CINNAMIC ACIDtrans-Cinnamic acidME430997--5.006149.05782
CARVONECarvoneME430998--4.398149.09628
MethionineMethionineME430999--7.517150.05548
PYRIDOXALPyridoxalME431000--2.114150.05553
Divarinol-ME431001--6.934151.07494
ThymolThymolME431002--7.889151.11079
GuanineGuanineME431003--0.824152.0555
Acenapthylene-ME431004--10.771152.06131
AcetaminophenAcetaminophenME431005--1.259152.06821
4-ACETAMIDOPHENOLAcetaminophenME431006--2.012152.06992
XanthineXanthineME431007--0.866153.03979
4-HYDROXYPHENYL ACETIC ACID4-Hydroxyphenylacetic acidME431008--5.52153.05246
Nudifloramide; LC-tDDA; CE20-ME431009--1.095153.06468
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME431010--8.679153.12411
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME431011--1.622154.04825
HistidineHistidineME431012--7.027156.07701
L-HistidineHistidineME431013--0.7156.07745
1,5-Naphthalenediamine1,5-NaphthalenediamineME431014--2.609159.09084
6-methoxyquinoline6-MethoxyquinolineME431015--1.201160.07265
INDOLEACETALDEHYDEIndoleacetaldehydeME431016--5.312160.07443
N-IsovalerylglycineIsovalerylglycineME431017--3.469160.09573
ISOVALERYLGLYCINEIsovalerylglycineME431018--3.141160.09601
2-Aminocaprylic acid; LC-tDDA; CE20-ME431019--8.112160.13184
5-Aminovaleric acid betaineN,N,N-trimethyl-5-aminovalerateME431020--0.835160.13307
4-Methylcoumarin4-MethylcoumarinME431021--6.031161.05949
TryptamineTryptamineME431022--3.17161.10728
N6-Methyl-lysine; AIF; CE0; CorrDecN(6)-MethyllysineME431023--16.754161.13051
2,8-Quinolinediol; AIF; CE10; CorrDec-ME431024--2.937162.05298
2,8-QuinolinediolQuinoline-2,8-diolME431025--3.384162.05397
1H-indole-3-carboxylic acidIndole-3-carboxylic acidME431026--4.408162.0542
Glutamic acid gamma methyl esterGlutamic acid gamma-methyl esterME431027--1.032162.07597
INDOLE-3-ETHANOLTryptophanolME431028--6.206162.08987
CARNITINECarnitineME431029--0.797162.11147
1,6-ANHYDRO-B-GLUCOSEGlucosanME431030--0.897163.06133
ValerophenoneValerophenoneME431031--19.829163.11203
NicotineNicotineME431032--29.004163.12242
N-Acetyl-cysteine; LC-tDDA; CE10N-AcetylcysteineME431033--7.359164.03545
N-Acetyl-cysteine; LC-tDDA; CE20N-AcetylcysteineME431034--3.573164.0356
PHENYLALANINEPhenylalanineME431035--1.211164.07356
N-(2-Phenylethyl)acetamideN-acetylphenylethylamineME431036--5.966164.1058
EthylparabenEthylparabenME431037--2.869165.05418
(S)-(-)-Perillic acidPerillic acidME431038--16.858165.08873
7-Methylguanine; LC-tDDA; CE207-MethylguanineME431039--0.901166.07037
O6-MeG-ME431040--1.102166.07045
L-PhenylalaninePhenylalanineME431041--5.181166.08493
1-Methylxanthine1-MethylxanthineME431042--1.29167.05367
PaeonolPaeonolME431043--6.689167.06789
Uric acidUric acidME431044--0.958169.0354
PyridoxaminePyridoxamineME431045--0.711169.09439
3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2DecIndoleacrylic acidME431046--5.716170.05847
PYRIDOXINEPyridoxineME431047--1.066170.08083
3-Methylhistidine3-MethylhistidineME431048--0.733170.09171
IS_PHENYLALANINE-2,3,4,5,6-D5-ME431049--1.594171.1162
GabapentinGabapentinME431050--3.072172.1322
Suberic acidSuberic acidME431051--5.309173.08095
Quinaldic acidQuinaldic acidME431052--4.848174.05463
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME431053--4.385174.05469
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME431054--1.158174.0554
HEXANOYLGLYCINEHexanoylglycineME431055--5.229174.1124
N-Acetyl-leucine; LC-tDDA; CE20N-AcetylleucineME431056--4.545174.11418
L-ArginineArginineME431057--0.82175.10791
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME431058--0.728175.14507
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME431059--1.065176.05536
5-methoxyindole-3-carbaldehyde-ME431060--1.177176.06647
INDOLEACETIC ACIDIndoleacetic acidME431061--6.164176.06833
trans-Ferulic acid; [M+H-H2O]+trans-Ferulic acidME431062--3.973177.05228
FERULATEtrans-Ferulic acidME431063--7.768177.0564
CotinineCotinineME431064--1.038177.10123
Alliin; LC-tDDA; CE20AlliinME431065--1.301178.05223
DEP_178.1226_15.3-ME431066--28.971178.12224
CysteinylglycineCys-GlyME431067--0.854179.04732
4-(Dimethylamino)phenylthiocyanate-ME431068--4.759179.06458
ConiferaldehydeConiferyl aldehydeME431069--3.912179.0685
Hippuric acidHippuric acidME431070--4.728180.06416
HIPPURATEHippuric acidME431071--3.574180.06424
D-(+)-GlucosamineGlucosamineME431072--1.053180.08115
N7-Et-G-ME431073--1.549180.08702
PhenacetinPhenacetinME431074--8.193180.10036
D-beta-HomophenylalanineHomophenylalanineME431075--3.508180.10049
NICOTINURIC ACIDNicotinuric acidME431076--2.792181.06102
PARAXANTHINEParaxanthineME431077--2.316181.07079
THEOBROMINETheobromineME431078--1.638181.07286
TyrosineTyrosineME431079--1.749182.0779
EtilefrineEtilefrineME431080--10.76182.11836
HYDROXYPHENYLLACTIC ACIDHydroxyphenyllactic acidME431081--2.875183.0636
4-Pyridoxic acid4-Pyridoxic acidME431082--1.137184.05885
Phosphorylcholine; LC-tDDA; CE10Choline phosphateME431083--20.159184.06898
Phosphorylcholine; LC-tDDA; CE20Choline phosphateME431084--21.57184.07088
Phosphorylcholine; LC-tDDA; CE40Choline phosphateME431085--20.537184.07251
O-PhosphocholineCholine phosphateME431086--21.452184.07549
gamma-Undecalactonegamma-UndecalactoneME431087--17.877185.15178
EcgonineEcgonineME431088--0.844186.10471
TributylamineTributylamineME431089--7.169186.2204
Atrazine-desethyl6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME431090--1.702188.06508
Deethylatrazine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME431091--3.139188.0703
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME431092--2.506188.07036
N8-AcetylspermidineN8-AcetylspermidineME431093--0.747188.17531
Azelaic acidAzelaic acidME431094--6.344189.1115
GlycylleucineGly-LeuME431095--2.321189.12274
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME431096--0.725189.15915
Kynurenic acidKynurenic acidME431097--2.936190.04831
N-Acetylglutamic acidN-Acetylglutamic acidME431098--1.089190.07248
INDOLEPROPIONIC ACIDIndolepropionic acidME431099--7.441190.08595
1-(4-Methoxyphenyl)-1-pentene-3-one-ME431100--5.166191.10413
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME431101--3.043192.06444
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid2-Oxindole-3-acetateME431102--4.386192.06497
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME431103--3.093192.06531
DiethyltoluamideN,N-Diethyl-m-toluamideME431104--9.676192.13708
DEETN,N-Diethyl-m-toluamideME431105--2.848192.13937
Phenylacetylglycine; LC-tDDA; CE10PhenylacetylglycineME431106--4.252194.07924
m-Cumenyl methylcarbamatem-Cumenyl methylcarbamateME431107--0.842194.11548
4-Hexyloxyaniline-ME431108--3.999194.15266
FERULIC ACIDtrans-Ferulic acidME431109--4.99195.06374
4-Aminohippuric acid; AIF; CE0; MS2Dec4-Aminohippuric acidME431110--2.275195.07681
CAFFEINECaffeineME431111--3.347195.08708
4-Hexylresorcinol4-HexylresorcinolME431112--1.893195.12224
o-Hydroxyhippuric acidSalicyluric acidME431113--4.596196.0589
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME431114--2.379196.05923
MethyltyrosinateMethyl tyrosinateME431115--2.029196.09654
1,7-Dimethyluric acid1,7-Dimethyluric acidME431116--2.023197.06367
ortho-Chlorophenylpiperazine-ME431117--6.389197.0798
XanthoxylinXanthoxylinME431118--5.09197.08124
LoliolideLoliolideME431119--5.77197.11786
NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahyd...-ME431120--3.514197.12704
3,4-Dihydroxy-L-phenylalanineDOPAME431121--1.069198.07549
Azacyclotridecan-2-one-ME431122--18.581198.18295
gamma-Dodecalactonegamma-DodecalactoneME431123--18.825199.17107
Ecgonine-methyl-ester (EME)-ME431124--7.194200.12663
ThiabendazoleThiabendazoleME431125--3.583202.04524
PSICOSEPsicoseME431126--0.823203.05255
VasicinoneVasicinoneME431127--1.283203.08035
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethy...-ME431128--6.323203.1178
Leucyl-Alanine; LC-tDDA; CE40Leu-AlaME431129--2.298203.13789
SpermineSpermineME431130--0.697203.22043
AcetylcarnitineCAR 2:0ME431131--1.058204.12032
L-TryptophanTryptophanME431132--2.504205.0957
TryptophanTryptophanME431133--3.332205.09657
Xanthurenic acidXanthurenic acidME431134--2.389206.04434
INDOLELACTIC ACIDIndolelactic acidME431135--5.316206.07867
N-(CINNAMOYL)GLYCINECinnamoylglycineME431136--5.831206.08057
DehydrosalsolidineDehydrosalsolidineME431137--1.967206.1161
IbuprofenIbuprofenME431138--3.907207.13608
2,6-di-tert-Butylphenol2,6-Ditert-butylphenolME431139--14.679207.17245
N-AcetylphenylalanineN-AcetylphenylalanineME431140--5.221208.09677
KynurenineKynurenineME431141--1.54209.0905
PilocarpinePilocarpineME431142--2.753209.12828
IS_TRYPTOPHAN-2,4,5,6,7-D5-ME431143--2.524210.1274
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME431144--4.847211.14114
4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-...-ME431145--10.637213.18213
Propionyl-carnitineCAR 3:0ME431146--1.239218.1358
EthoxyquinEthoxyquinME431147--18.537218.14877
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME431148--4.514219.11168
SerylleucineSer-LeuME431149--2.304219.13193
Pterosin BPterosin BME431150--8.967219.13904
4,6-Di-tert-butyl-m-cresol-ME431151--12.545219.17166
4-Nonylphenol-ME431152--9.36219.17412
PantothenatePantothenic acidME431153--1.913220.11722
Diethyl-phthalateDiethyl phthalateME431154--15.287223.09477
Mono-iso-butyl phthalateMonoisobutyl phthalateME431155--15.219223.09805
N-Acetyl-tyrosine; LC-tDDA; CE20N-AcetyltyrosineME431156--2.772224.09216
4-Hydroxybenzoylcholine-ME431157--29.023224.12755
2-Hydroxychalcone2-HydroxychalconeME431158--4.169225.08954
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...ScoparoneME431159--4.817225.10893
Dicyclohexylurea-ME431160--10.315225.19524
Urolithin AUrolithin AME431161--4.423229.04947
Dodecanedioic acidDodecanedioic acidME431162--8.059229.14168
Ergothioneine; LC-tDDA; CE30ErgothioneineME431163--0.825230.0945
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME431164--11.107230.24623
Lauryldimethylamine Oxide-ME431165--11.052230.24702
NaproxenNaproxenME431166--10.223231.1015
7-Diethylamino-4-methylcoumarin7-Diethylamino-4-methylcoumarinME431167--9.52232.13109
Isobutyryl-carnitine; LC-tDDA; CE10CAR 4:0ME431168--2.444232.15303
Butyryl-carnitine; AIF; CE10; CorrDecCAR 4:0ME431169--2.283232.15517
Threonylleucine (isomer of 809, 926)Thr-LeuME431170--2.019233.1467
(+)-CostunolideCostunolideME431171--6.602233.15108
Pterosin GPterosin GME431172--6.633235.13092
WalleminoneWalleminoneME431173--4.753235.16943
DropropizineDropropizineME431174--2.699237.15915
5-hydroxyculmorin5-HydroxyculmorinME431175--12.604237.18332
VelvioneVelvioneME431176--13.905237.21748
KetamineKetamineME431177--5.336238.09843
Mefenamic acidMefenamic acidME431178--14.87240.10069
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME431179--1.051240.10974
AlbuterolAlbuterolME431180--6240.15759
dimethyl(tetradecyl)amine-ME431181--14.195242.28239
dioctylamineDioctylamineME431182--12.775242.28275
7,8-dimethylalloxazine (lumichrome)LumichromeME431183--5.87243.08673
Thymidine; LC-tDDA; CE30ThymidineME431184--1.439243.0977
EquolEquolME431185--6.091243.10022
N-ACETYLGALACTOSAMINEN-AcetylgalactosamineME431186--0.816244.07921
N-lauroylethanolamineLauroyl-EAME431187--12.787244.22719
BiotinBiotinME431188--4.119245.09427
Leucyl-leucine; LC-tDDA; CE40Leu-LeuME431189--4.538245.18459
Leucyl-leucine; LC-tDDA; CE30Leu-LeuME431190--4.207245.18706
Valeryl-carnitine; AIF; CE10; CorrDecCAR 5:0ME431191--3.796246.16847
Indole-3-acetyl-L-alanine-ME431192--5.806247.10805
N-Acetyl-tryptophan; LC-tDDA; CE40N-Acetyl-tryptophanME431193--5.491247.10808
Atractylenolide III-ME431194--8.951247.13261
Tryptophan betaineLenticinME431195--3.121247.14336
MeperidineMeperidineME431196--4.334248.16234
Pterosin APterosin AME431197--9.18249.1476
4,4'-Sulfonyldiphenol4,4'-SulfonyldiphenolME431198--6.237251.03751
Lidocaine-N-Oxide-ME431199--3.561251.17567
2-Deoxyadenosine; LC-tDDA; CE10DeoxyadenosineME431200--1.065252.10825
6-Methylflavonol-ME431201--7.669253.08607
PhenytoinPhenytoinME431202--8.555253.09741
NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutan...-ME431203--7.877254.13751
AnabasamineAnabasamineME431204--1.147254.1595
1-Dodecyl-2-pyrrolidinone-ME431205--20.176254.24777
DaidzeinDaidzeinME431206--6.792255.06453
LiquiritigeninLiquiritigeninME431207--6.894257.08008
1,4-Chrysenequinone1,4-ChrysenequinoneME431208--1.983258.06815
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME431209--0.823258.10779
Lauric isopropanolamide-ME431210--11.563258.24356
dibutyladipateDibutyl adipateME431211--14.931259.18787
6-Acetyl-1,1,2,4,4,7-hexamethyltetralin-ME431212--16.852259.20599
Hexanoyl-L-CarnitineCAR 6:0ME431213--5.349260.18546
Hexanoyl-carnitine; AIF; CE30; CorrDecCAR 6:0ME431214--5.443260.18607
ALPHA-D-GLUCOSE 1-PHOSPHATEGlucose 1-phosphateME431215--0.897261.03476
DiaveridineDiaveridineME431216--2.818261.13312
gamma-Glutamylleucinegamma-GlutamylleucineME431217--2.903261.1441
FlumequineFlumequineME431218--1.319262.08456
TramadolTramadolME431219--5.303264.19373
2',2'-Difluoro-2'-deoxyuridine-ME431220--5.876265.06824
THIAMINEThiamineME431221--0.677265.1095
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME431222--3.749265.11841
MagnololMagnololME431223--4.894265.12119
CaffeoylcholineCaffeoylcholineME431224--3.881266.13803
FormononetinFormononetinME431225--0.847267.05777
AtenololAtenololME431226--1.952267.17065
Tri-N-butyl phosphateTributyl phosphateME431227--14.488267.17123
AdenosineAdenosineME431228--1.058268.10385
Atenolol acid-ME431229--3.527268.15417
InosineInosineME431230--1.071269.08591
N-AcetylcarnosineN-AcetylcarnosineME431231--0.858269.12485
EstroneEstroneME431232--1.549269.14868
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME431233--4.349269.17413
h_60_epimethendiol-ME431234--17.44269.22455
GenisteinGenisteinME431235--7.98271.05884
Nordiazepam-ME431236--9.178271.06299
17beta-Trenbolone17beta-TrenboloneME431237--3.204271.16553
EstriolEstriolME431238--8.112271.20462
CitrininCitrininME431239--7.746273.07147
5,6-Benzoflavone5,6-BenzoflavoneME431240--7.818273.09042
GalaxolidoneGalaxolidoneME431241--4.184273.1788
SclareolSclareolME431242--18.258273.25967
LauryldiethanolamineN-LauryldiethanolamineME431243--11.011274.27118
Flufenacet ESA-ME431244--12.078276.06747
MMV688469-ME431245--5.163276.12619
Glutaryl-carnitine; AIF; CE10; MS2DecCAR DC5:0ME431246--0.86276.13953
Glutaryl-carnitine; AIF; CE30; CorrDecCAR DC5:0ME431247--1.112276.14429
FA 18:3+1OOctadecatrienoic acidME431248--14.689277.21466
y-Linolenic acidgamma-Linolenic acidME431249--16.287277.21469
Triphenylphosphine oxide-ME431250--10.446279.09399
Di-n-butyl phthalateDibutyl phthalateME431251--15.876279.15549
Diisobutyl phthalateDiisobutyl phthalateME431252--22.395279.15994
DibutylphthalateDibutyl phthalateME431253--17.008279.16052
LINOLENIC ACIDOctadecatrienoic acidME431254--17.107279.2305
FeruloylcholineFeruloylcholineME431255--4.175280.15274
ASP-PHEAsp-PheME431256--3.166281.11203
EnterolactoneEnterolactoneME431257--8.674281.11746
Linoleic acidLinoleic acidME431258--16.778281.24557
N6-Me-AdenosineN6-MethyladenosineME431259--1.227282.11658
OleamideOleamideME431260--17.543282.27682
LaurocapramLaurocapramME431261--17.603282.28015
Dodemorph-ME431262--13.22282.28021
Hexaethylene glycolHexaethylene glycolME431263--3.463283.17676
ELAIDIC ACIDElaidic acidME431264--18.92283.26114
GuanosineGuanosineME431265--1.066284.09824
StearamideStearamideME431266--20.467284.29495
GlyciteinGlyciteinME431267--7.038285.07385
DiazepamDiazepamME431268--10.457285.07755
AcacetinAcacetinME431269--10.287285.07855
XanthosineXanthosineME431270--1.134285.08136
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...-ME431271--12.081285.21933
GLYCEROL-MYRISTATEMG 14:0ME431272--22.661285.24274
N-AcetylcytidineN4-AcetylcytidineME431273--1.361286.10513
PiperinePiperineME431274--11.262286.14151
MorphineMorphineME431275--6.063286.14429
Octenoyl-carnitine; LC-tDDA; CE10CAR 8:1ME431276--7.42286.19998
Pentadecanoyl EthanolamidePentadecanoyl-EAME431277--13.231286.27264
C17_SphingosineC17 SphingosineME431278--12.528286.27332
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-o...-ME431279--3.752287.10068
4-Androstene-3,17-dioneAndrostenedioneME431280--8.513287.20108
NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)...-ME431281--17.861287.23575
h_52_drostanolone-m-ME431282--19.83287.23654
C.I. Basic Red 9-ME431283--7.862288.14651
OCTANOYLCARNITINECAR 8:0ME431284--7.34288.2179
Lauryl diethanolamideLauroyl diethanolamideME431285--12.542288.25031
Sphinganine (C17 base)C17 SphinganineME431286--12.729288.28851
OPHTHALMIC ACIDOphthalmic acidME431287--1.068290.13086
BenzoylecgonineBenzoyl ecgonineME431288--0.835290.13531
Adipoyl-carnitine; LC-tDDA; CE10CAR DC5:0ME431289--2.803290.15848
Adipoyl-carnitine; LC-tDDA; CE20CAR DC5:0ME431290--1.591290.15881
Adipoyl-carnitine; LC-tDDA; CE40CAR DC5:0ME431291--1.804290.15897
ANDROSTERONEAndrosteroneME431292--10.138291.2337
FA 18:2+O-ME431293--13.175293.2088
9-HOTrE9-HOTrEME431294--10.397293.20917
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octan...-ME431295--9.1293.21164
N-Acetylmuramic AcidN-Acetylmuramic acidME431296--1.126294.11346
NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(ph...-ME431297--4.122294.14352
OCP_295.0845_17.0-ME431298--1.45295.08334
TroxipideTroxipideME431299--3.264295.16425
[6]-GingerolGingerolME431300--12.498295.18726
9-HODE9-HODEME431301--11.174295.22427
13-OxoODE13-Oxo-ODEME431302--14.694295.22461
DothiepinDothiepinME431303--3.001296.14752
DisulfiramDisulfiramME431304--13.591297.06213
4-(2,5-Diethoxy-4-nitrophenyl)morpholine-ME431305--3.271297.14365
NorethindroneNorethindroneME431306--3.907297.17923
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)oc...-ME431307--11.847297.23944
5-S-Methylthioadenosine; LC-tDDA; CE30-ME431308--2.537298.09668
MethylthioadenosineMethylthioadenosineME431309--2.465298.09711
5-OHMe-Ur-ME431310--1.25298.11118
N1-Methylguanosine; LC-tDDA; CE401-MethylguanosineME431311--1.122298.11212
Roquefortine ARoquefortine AME431312--3.206299.1712
9(10)-EpOME-[d4]-ME431313--16.426299.25833
12(13)-EpOME-[d4]-ME431314--13.241299.25864
LycopsamineLycopsamineME431315--4.102300.17831
D-sphingosineSphingosineME431316--13.155300.28644
DErySphingosineSphingosineME431317--13.294300.28775
ChrysoeriolChrysoeriolME431318--8.185301.07007
Nordihydroguaiaretic acidNordihydroguaiaretic AcidME431319--17.468301.13916
TrachelanthineTrachelanthineME431320--5.893302.19528
SPHINGANINESphinganineME431321--13.617302.30258
2,2'-(Tetradecylimino)diethanol-ME431322--12.543302.30328
17-Methyltestosterone17-MethyltestosteroneME431323--15.089303.23044
Methyltestosterone17-MethyltestosteroneME431324--17.038303.23056
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...-ME431325--17.127303.23102
h_128_methyl_1_testosterone-ME431326--25.79303.23138
Fenpropimorph-ME431327--17.442304.26138
N-Acetyl-Asp-GluN-Acetyl-Asp-GluME431328--1.087305.09506
(4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl...-ME431329--17.956305.24692
EpigallocatechinEpigallocatechinME431330--1.077307.08105
NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydro...-ME431331--9.907307.09619
NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic ac...-ME431332--18.419307.26465
Glutathione (reduced)GlutathioneME431333--0.851308.09036
NadololNadololME431334--7.477310.20166
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME431335--1.61311.12137
alpha-Glutamyl-TyrosineGlu-TyrME431336--1.561311.12155
N2_N2-DimethylguanosineN2,N2-DimethylguanosineME431337--1.728312.12686
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME431338--1.673312.13019
N,N-Dimethylguanosine; LC-tDDA; CE40N2,N2-DimethylguanosineME431339--1.597312.13062
Benzyl-butyl-phthalateBenzyl butyl phthalateME431340--15.056313.14215
Phenylalanylphenylalanine; LC-tDDA; CE40Phe-PheME431341--5.407313.15585
Heptadecanoyl EthanolamideMargaroyl-EAME431342--17.099314.30569
Intermedine N-oxideIntermedine N-oxideME431343--3.214316.17496
DECANOYLCARNITINECAR 10:0ME431344--9.809316.24805
Dehydrophytosphingosine (not validated, isomer of ...-ME431345--12.124316.28482
NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)pe...-ME431346--15.294317.11163
ZearalenoneZearalenoneME431347--11.647317.13712
TraversianalTraversianalME431348--13.799317.21136
h_315_oxymetholone_m2-ME431349--19.045317.24731
2-(3-Hydroxycyclohexyl)-5-(2-methyl-2-octanyl)phen...-ME431350--10.532317.24734
Phytosphingosine (not validated, isomer of 1696)-ME431351--11.215318.29794
D-ribo-PhytosphingosinePhytosphingosineME431352--12.763318.29996
ExemestaneExemestaneME431353--3.524319.16626
Decanoyl-L-carnitine D3-ME431354--10.2319.26752
alpha-Linolenoyl Ethanolamidealpha-Linolenoyl-EAME431355--14.995322.27304
Bis(2-ethylhexyl)phosphate-ME431356--16.717323.23416
Linoleoyl EthanolamideLinoleoyl-EAME431357--15.885324.28967
SSR180711-ME431358--1.502325.05286
CitalopramCitalopramME431359--7.943325.17221
Heneicosanoic acidHeneicosylic acidME431360--14.07325.31659
N-OleoylethanolamineOleoyl-EAME431361--16.872326.3038
Triphenyl phosphate (TPP)Triphenyl phosphateME431362--13.982327.07697
Acetaminophen glucuronidep-AcetamidophenylglucuronideME431363--1.254328.10147
NALOXONENaloxoneME431364--2.155328.15182
Trilostane-ME431365--6.466328.1926
Stearoyl EthanolamideStearoyl-EAME431366--17.879328.31992
Docosahexaenoic acidDocosahexaenoic acidME431367--17.761329.2468
SinomenineSinomenineME431368--6.052330.17108
Heliotrine N-oxideHeliotrine N-oxideME431369--4.252330.18927
TricinTricinME431370--8.15331.07883
Ceratodictyol-ME431371--23.828331.28311
MMV028694-ME431372--6.696333.14301
NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methy...-ME431373--18.945333.2771
SeneciphyllineSeneciphyllineME431374--17.99334.15521
N6-IsopentenyladenosineN6-IsopentenyladenosineME431375--5.279336.16766
Erucamide13Z-DocosenamideME431376--18.748338.33835
lithocholic acidLithocholic acidME431377--15.236341.28363
NaltrexoneNaltrexoneME431378--9.109342.1705
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic ac...-ME431379--6.424343.22226
NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',...-ME431380--15.094343.22568
Lauramidopropyl betaineLauramidopropyl betaineME431381--11.068343.29572
DibucaineDibucaineME431382--7.889344.2403
LAUROYLCARNITINECAR 12:0ME431383--11.94344.27747
CorticosteroneCorticosteroneME431384--7.634347.21924
DodeDecanoyl-L-carnitine D3-ME431385--11.881347.29547
Adenosine 5'-monophosphateAMPME431386--1.081348.06857
Adenosine monophosphate (AMP)AMPME431387--2.932348.06906
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid-ME431388--9.631348.27399
Arachidonoyl EthanolamideArachidonoyl-EAME431389--16.069348.28931
ImidocarbImidocarbME431390--3.948349.18234
AM580-ME431391--16.6352.18579
Oleyl sarcosine-ME431392--17.511354.29889
Cholic acidCholic acidME431393--10.235355.25961
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13...-ME431394--13.127355.26328
DEOXYCHOLATEDeoxycholic acidME431395--13.032357.27582
URSODEOXYCHOLATEUrsodeoxycholic acidME431396--18.738357.27896
MonooleinMG 18:1ME431397--17.809357.29742
1-OLEOYL-RAC-GLYCEROLMG 18:1ME431398--17.997357.29965
??-Gentiobiose-ME431399--0.836360.14609
LACTULOSELactuloseME431400--0.896360.14847
CortisoneCortisoneME431401--7.895361.20267
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-...-ME431402--7.369363.21371
2-methoxy-4-pentadecylbenzoic acid2-Methoxy-4-pentadecyl-benzoic acidME431403--15.786363.2916
TREHALOSETrehaloseME431404--0.784365.10364
NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymeth...-ME431405--7.083365.19202
THE-ME431406--7.62365.23267
DehydrocorydalineDehydrocorydalineME431407--10.735366.16916
CholesterolCholesterolME431408--25.977369.34958
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-ox...-ME431409--13.47371.25821
(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3...-ME431410--10.596371.2583
Myristamidopropyl betaineMyristamidopropyl betaineME431411--12.697371.32602
TrazodoneTrazodoneME431412--6.74372.15738
Crystal violet-ME431413--11.842372.24533
Myristoyl-carnitine; LC-tDDA; CE30CAR 14:0ME431414--13.371372.31024
Myristoyl-carnitine; LC-tDDA; CE20CAR 14:0ME431415--13.293372.31067
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME431416--12.19373.27179
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12...-ME431417--11.33373.27179
hyocholic acidHyocholic acidME431418--9.876373.272
(R)-4-((3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,6,12...-ME431419--11.254373.27222
CHOLATECholic acidME431420--7.958373.27252
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,...-ME431421--13.127373.27475
Hetisine-ME431422--10.642374.19946
HydroxyzineHydroxyzineME431423--9.168375.18192
3-Ketocholanic AcidDehydrolithocholic acidME431424--11.476375.2861
deoxycholic acidDeoxycholic acidME431425--11.353375.28818
PharmaGSID_48507-ME431426--3.702377.14536
RIBOFLAVINRiboflavinME431427--3.909377.14667
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymeth...-ME431428--6.32379.20844
6-beta-Hydroxycortisol6beta-HydroxycortisolME431429--4.142379.21103
MAG-ME431430--17.733379.27701
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphe...-ME431431--6.735381.18146
NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7...-ME431432--8.906381.20248
IsorhynchophyllineIsorhynchophyllineME431433--15.597383.20883
Cholest-4,6-Dien-3-One4,6-CholestadienoneME431434--21.401383.32959
N6-Succinyladenosine; AIF; CE30; MS2DecSuccinyladenosineME431435--1.535384.11371
N6-Succinyladenosine; AIF; CE0; MS2DecSuccinyladenosineME431436--1.648384.11417
QuetiapineQuetiapineME431437--7.321384.17505
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30S-AdenosylhomocysteineME431438--1.058385.12656
S-Adenosylhomocysteine (SAH)S-AdenosylhomocysteineME431439--0.94385.13071
ResibufogeninResibufogeninME431440--10.495385.23441
4-Cholesten-3-oneCholestenoneME431441--21.775385.34485
(3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-me...-ME431442--16.89385.34641
BuspironeBuspironeME431443--7.904386.25595
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7...-ME431444--12.161387.28955
CetirizineCetirizineME431445--9.388389.16147
(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6...-ME431446--8.248389.26797
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-...-ME431447--9.292389.26822
3?-Hydroxy-12 Ketolithocholic Acid-ME431448--12.264391.28137
Dioctyl PhthalateDioctyl phthalateME431449--23.714391.28149
3?-Hydroxy-7 Ketolithocholic Acid-ME431450--11.259391.2822
(4R)-4-((1R,3S,5S,7R,9S,10S,13R,14S,17R)-1,3,7-tri...-ME431451--9.878391.28235
(R)-4-((3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME431452--10.054391.28256
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-t...-ME431453--13.127391.28433
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-tri...-ME431454--10.224391.28455
(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13...-ME431455--10.836391.28516
TrospiumTrospiumME431456--9.34392.22235
dG-C8-4-CA-ME431457--4.046393.11249
Octaethylene glycolOctaethylene glycolME431458--4.366393.20905
N-Oleyl-LeucineN-Oleoyl leucineME431459--15.236394.32886
Ethylrhoeagenine-ME431460--12.355398.15988
S-(5'-Adenosyl)-L-methionineS-AdenosylmethionineME431461--0.673399.15036
Tri(butoxyethyl) phosphateTri(butoxyethyl)phosphateME431462--15.292399.25
Tri(butoxyethyl)phosphateTri(butoxyethyl)phosphateME431463--15.384399.25125
Palmitoyl-carnitine; LC-tDDA; CE20CAR 16:0ME431464--14.804400.34204
NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trim...-ME431465--14.218401.22833
7-Oxocholesterol7-Oxo-cholesterolME431466--19.436401.33701
Acetyl tributyl citrateRetinoic acidME431467--16.898403.23145
5-Cholesten-3-beta-7-alpha-diol7alpha-Hydroxy-cholesterolME431468--14.794403.35867
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME431469--18.57404.31616
5?-CHOLANIC ACID-3?-OL-6_7-DIONE-ME431470--8.193405.26132
methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)...-ME431471--12.416405.29871
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7...-ME431472--10.491407.27649
MMV688990-ME431473--14.205408.32553
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta...-ME431474--4.365409.18195
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL-ME431475--10.775409.29178
(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME431476--9.881409.29385
STIGMASTA-4,22-DIEN-3-ONEStigmasta-4,22-dien-3-oneME431477--22.4411.36218
N6-ThreonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME431478--2.993413.14294
2-acetoxy-4-pentadecylbenzoic acid2-Acetoxy-4-pentadecyl-benzoic acidME431479--21.416413.26376
delta4-Dafachronic acid-ME431480--16.191413.30222
GLYCOCHENODEOXYCHOLATEGlycochenodeoxycholic acidME431481--9.948414.29929
glycoursodeoxycholic acidGlycoursodeoxycholic acidME431482--11.509414.29932
SolasodinSolasodineME431483--11.964414.33093
7-Hydroxymitragynine7-HydroxymitragynineME431484--6.138415.22345
TentoxinTentoxinME431485--17.535415.23245
DiosgeninDiosgeninME431486--11.969415.31909
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hyd...-ME431487--10.575417.33569
Linoleyl-carnitine; LC-tDDA; CE20CAR 18:2ME431488--14.457424.33905
Linoleyl-carnitine; AIF; CE30; CorrDecCAR 18:2ME431489--14.281424.34122
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME431490--18.566426.29575
URSOCHOLIC ACIDUrsocholic acidME431491--8.556426.3194
Oleoyl-carnitine; LC-tDDA; CE20CAR 18:1ME431492--15.029426.35678
Adenosine_DiphosphateADPME431493--1.137428.03409
Stearoyl-carnitine; LC-tDDA; CE20CAR 18:0ME431494--15.956428.36847
N-Oleoyl-PhenylalanineN-Oleoyl phenylalanineME431495--18.96430.33157
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-o...-ME431496--3.467431.09448
NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(...-ME431497--10.981431.09454
Bufalin-ME431498--10.217431.24136
isochromophilone VI-ME431499--2.409434.17493
Glycolithocholic acidGlycolithocholic acidME431500--13.486434.32639
Bis[2-(2-butoxyethoxy)ethyl] hexandioate-ME431501--14.636435.29294
Nonaethylene glycolNonaethylene glycolME431502--4.728437.23441
4-OHE2-1-N7Gua-ME431503--4.449438.21371
DaidzinDaidzinME431504--2.861439.10117
1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine-ME431505--11.56440.27762
Oleanane -4H, + 2O-ME431506--14.728441.37177
Folic acidFolic acidME431507--2.718442.14682
BaicalinBaicalinME431508--5.256447.08975
Luteolin-7-O-glucosideLuteolin-7-O-glucosideME431509--11.015447.09604
GLYCOCHENODEOXYCHOLIC ACIDGlycochenodeoxycholic acidME431510--10.729448.30447
Arachidonoyl-carnitine; LC-tDDA; CE30CAR 20:4ME431511--14.461448.3414
Glycodeoxycholic acidGlycodeoxycholic acidME431512--11.438450.3194
Glycochenodeoxycholic acid; LC-tDDA; CE40Glycochenodeoxycholic acidME431513--9.94450.31943
Glycochenodeoxycholic acid; LC-tDDA; CE20Glycochenodeoxycholic acidME431514--11.809450.3197
NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-...-ME431515--4.708453.22162
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME431516--14.182454.29089
oroxindinOroxindinME431517--4.449461.1088
Morphine_3_GlucuronideMorphine-3-glucuronideME431518--2.126462.17593
taurocholic acidTaurocholic acidME431519--9.1462.26639
taurohyodeoxycholic acidTaurohyodeoxycholic acidME431520--8.937464.2829
Glycocholic AcidGlycocholic acidME431521--8.16466.3114
Glycohyocholic acidGlycohyocholic acidME431522--9.438466.31689
(E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4...-ME431523--11.1471.3465
alpha-TOCHOPHERYL ACETATE-ME431524--23.811473.39667
RaloxifeneRaloxifeneME431525--2.891474.17535
LPE 18:3LPE 18:3ME431526--13.437476.27426
LPE 18:2LPE 18:2ME431527--13.847478.29053
NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]...-ME431528--14.116478.29291
2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-...-ME431529--7.836480.2767
LPE 18:1LPE 18:1ME431530--14.716480.30438
Decaethylene glycolDecaethylene glycolME431531--5.045481.25885
tauroursodeoxycholic acidTauroursodeoxycholic acidME431532--10.266482.29181
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME431533--13.586482.32065
NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S...-ME431534--9.781487.3031
PC(16:0/0:0)LPC 16:0/0:0ME431535--18.462496.33588
LPC 16:0LPC 16:0ME431536--14.243496.33859
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,...-ME431537--10.571497.2933
2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10...-ME431538--7.839498.28802
taurodeoxycholic acidTaurodeoxycholic acidME431539--10.682500.30164
TaurodeoxycholateTaurodeoxycholic acidME431540--10.362500.30212
2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...-ME431541--10.488500.30496
hypericinHypericinME431542--6.338503.14706
MALTOTRIOSEMaltotrioseME431543--0.902505.177
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...LPC 17:0/0:0ME431544--15.144510.35324
Cucurbitacin I-ME431545--2.652513.30499
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihy...-ME431546--8.108514.28326
TaurocholateTaurocholic acidME431547--6.667516.29419
?-Tauromuricholic acidTauromuricholic acidME431548--7.836516.29749
LPC 18:3LPC 18:3ME431549--13.664518.32031
LPC 18:2LPC 18:2ME431550--14.383520.33752
MelezitoseMelezitoseME431551--0.801522.203
LPC 18:1LPC 18:1ME431552--14.775522.35284
1-Stearoyl-sn-glycero-3-phosphocholineLPC 18:0/0:0ME431553--18.487524.36816
LysoPC(0:0/18:0)LPC 0:0/18:0ME431554--15.787524.37085
Flavone base + 3O, 2MeO, O-guaiacylglycerol-ME431555--8.674527.15411
Ceramide (d18:1/16:0)Cer 18:1;O2/16:0ME431556--23.131538.51599
18:1(2S-OH) Ceramide-ME431557--23.301540.5304
Leucine_Enkephalin-ME431558--6.329556.27533
Ceramide (d18:1/18:0)Cer 18:1;O2/18:0ME431559--23.816566.55005
(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,12S,13R,14S,...-ME431560--11.579569.33136
BiliverdinBiliverdinME431561--17.132583.2514
N-C18:0 PhytoceramideCer 18:0;O3/18:0ME431562--23.252584.55927
BilirubinBilirubinME431563--17.627585.26813
(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,1...-ME431564--9.416585.32416
Deoxykhivorin-ME431565--17.595593.27417
StercobilinL-UrobilinME431566--7.811595.34564
TRIMETHYLAMINETrimethylamineME430862--0.79160.08268
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl...-ME431567--5.903609.17932
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,...-ME431568--6.328609.18414
ReserpineReserpineME431569--15.253609.27637
Glutathione oxidizedGlutathioneME431570--0.828613.1568
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enam...-ME431571--24.989630.61731
3'-Dephosphocoenzyme A3'-Dephospho-CoAME431572--1.639688.15802
DG(20:5/0:0/20:5) (d5)DG 20:5/0:0/20:5*ME431573--20.164688.49286
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d...DG 20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)*ME431574--21.547692.52332
PyrrolidinePyrrolidineME430863--0.772.08147
BUTANALButanalME430864--3.92973.06645
SPHINGOMYELINSM 18:1;O2/18:0ME431575--22.178731.59821
N,N-DimethylformamideN,N-DimethylformamideME430865--1.21274.06092
alpha-Hederinalpha-HederinME431576--5.988749.44598
GLYCINEGlycineME430866--3.15676.03878
PC(16:0/18:1(9Z))PC 16:0/18:1(9Z)ME431577--23.027760.58167
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME430867--0.80776.07697
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazani...-ME431578--23.604762.59827
L-ThyroxineThyroxineME431579--9.468777.69318
Saikosaponin aSaikosaponin AME431580--15.195779.46149
2-AminoethanethiolCysteamineME430868--2.79278.03445
(R)-4-((3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME431581--11.353785.58826
(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydr...-ME431582--11.473785.58862
Flavin??adenine??dinucleotideFADME431583--2.922786.16425
Dimethyl??sulfoxideDimethyl sulfoxideME430869--0.99879.02
Dimethyl sulfoxideDimethyl sulfoxideME430870--0.92879.02244
PyridinePyridineME430871--1.06680.05001
PC 17:0-20:3-d5_ISTD-ME431584--24.089802.63019
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...-ME431585--13.29807.56781
PyrimidinePyrimidineME430872--0.80381.04643
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME431586--11.254817.58038
(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydr...-ME431587--9.704817.58118
TripalmitinTG 16:0/16:0/16:0ME431588--25.161824.77081
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-tr...-ME431589--10.22839.56122
Cerebroside-ME431590--24.567850.67462
TAG(50:1)TG 50:1ME431591--25.335850.7865
2-Pyrrolidinone; AIF; CE10; CorrDec2-PyrrolidinoneME430873--1.23386.05934
2-Methylpyrrolidine2-Methyl pyrrolidineME430874--4.5586.09578
C16 Lactosyl Ceramide (d18:1/16:0)-ME431592--21.475862.62189
Triacylglycerol 16:0-18:1-18:1TG 16:0_18:1_18:1ME431593--25.545876.8031
SARCOSINESarcosineME430875--0.79790.05457
beta-Alaninebeta-AlanineME430876--1.98390.05612
Glyceryl trioleateTG 18:1/18:1/18:1ME431594--25.783923.74512
Saikosaponin C-ME431595--29.026925.51038
AnilineAnilineME430877--1.54294.06346
Aniline; AIF; CE30; CorrDecAnilineME430878--1.59394.06574
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14...-ME431596--10.474943.5235
4-Methylpyrimidine4-MethylpyrimidineME430879--0.80895.06022
2-HYDROXYPYRIDINE2-HydroxypyridineME430880--1.06896.04169
Ortophosphate-ME430881--0.92798.9837


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