Clustering data with hclust algorithm for (Study ST003745)

(Analysis AN006150)
MetaboliteStructureF1F2
3-methyl-5-oxo-5-(4-toluidino)pentanoic acidME9813901.970.30
CholecalciferolME9804111.960.31
CystineME9805761.910.35
HypophyllanthinME9807751.910.35
Ribulose-5-phosphateME9805821.890.36
MethicillinME9808181.900.36
PC (14:1/15:1)ME9807531.900.36
Hydrocortisone acetateME9806722.140.19
2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acidME9806252.090.22
StrophanthidinME9806592.100.22
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acidME9803722.270.09
NicotineME9803712.210.14
OxohongdenafilME9806100.481.37
Prednisolone tebutateME9805410.481.37
5-fluoro AKB48 N-(4-hydroxypentyl) metaboliteME9805650.501.36
N-morpholino-N^-[(5-nitro-3-thienyl)carbonyl]ureaME9813800.491.36
19-NortestosteroneME9814310.491.36
Arachidonoyl ethanolamide phosphateME9807730.491.36
N-(2-morpholinophenyl)-5-(phenylsulfonyl)-2-thiophenesulfonamideME9809240.511.35
Folic acidME9814130.511.35
17α-HydroxyprogesteroneME9805390.511.35
Deoxycorticosterone 21-glucosideME9814380.511.35
EKKME9807110.531.34
1,4-dihydroxyheptadec-16-en-2-yl acetateME9807490.531.34
CiprosteneME9806110.531.34
TemazepamME9806700.521.34
7α-HydroxytestosteroneME9804150.521.34
N-Oleoyl GlycineME9814280.521.34
Lysopc 18:1ME9807280.541.33
S-(Methyl)GlutathioneME9809770.531.33
7-AminoflunitrazepamME9811240.441.40
HNKME9806230.461.38
Nor-9-carboxy-δ9-THCME9804590.461.38
Bafilomycin B1ME9808410.451.39
2-(4,4-diphenyl-1-piperidinobuta-1,3-dienyl)phenyl acetateME9810790.451.39
6-SialyllactoseME9811930.451.39
cyclohexyl[4-(2-methoxyphenyl)piperidino]methanoneME9810550.461.39
RoseoflavinME9805970.461.39
Astragaloside AME9805930.381.44
CortisoneME9803870.401.43
SM (d18:3/12:1)ME9813050.401.43
PC (10:0/10:0)ME9809660.421.41
(-)-EpigallocatechinME9813420.411.42
KQHME9806610.421.42
EmetineME9810730.161.60
U-44069ME9805590.221.56
cis-gondoic acidME9809530.201.57
TestosteroneME9803440.191.58
11-Deoxy prostaglandin F1βME9805420.291.51
DiosgeninME9807360.281.51
PC (4:0/13:1)ME9811380.281.52
16,16-Dimethyl prostaglandin A2ME9809350.271.52
Meperidine-d5ME9808390.271.52
Hydroxyprogesterone caproateME9803790.261.53
AndrostenedioneME9803770.241.54
GlutathioneME9813980.241.54
16-Heptadecyne-1,2,4-triolME9809220.321.49
methyl 9-(2,4-dimethoxyanilino)-9-oxononanoateME9805720.351.46
SenecionineME9806761.140.90
PyridoxineME9807311.140.90
PterostilbeneME9813181.140.90
PC (17:0/18:2)ME9807661.140.90
N1,N^1-diphenyl-3-anilino-2-methylpropanimidamide hydrochlorideME9805571.140.90
JWH 073 N-(4-hydroxybutyl) metaboliteME9808151.140.90
4-[3,5-di(tert-butyl)-1H-pyrazol-1-yl]benzoic acidME9812881.140.90
13(S)-HOTrEME9814001.140.90
3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanolME9811181.140.90
LevalbuterolME9809881.150.90
2-Aminoadipic acidME9804611.150.90
EmodinME9812761.150.90
TetrahydrocortisoneME9805181.160.89
Taurochenodeoxycholic acidME9807841.160.89
SakuraninME9809481.160.89
PC (17:0/18:1)ME9810871.160.89
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamideME9809231.160.89
Cer-NS (d22:1/16:0)ME9811961.160.89
Cer-NDS (d18:0/16:0)ME9806381.160.89
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrileME9807041.160.89
6-Pentyl-2H-pyran-2-oneME9807971.160.89
SM (d14:1/21:0)ME9808311.150.89
NVP-231ME9810521.150.89
N-LauroylsarcosineME9808641.150.89
LDGTS 8:0ME9806561.150.89
DL-m-TyrosineME9814201.150.89
CuminaldehydeME9803671.150.89
ACar 17:1ME9809831.150.89
BiopterinME9805291.150.89
α-LactoseME9812931.130.90
(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-oneME9810561.130.90
L-Methionine sulfoneME9813851.130.90
Testosterone acetateME9807061.120.91
Sodium cholateME9813321.120.91
RizatriptanME9812681.120.91
PC (20:3e/13:0)ME9812781.120.91
Cer-NDS (d22:0/18:0)ME9811331.120.91
(5S)-5-hydroxy-1,7-diphenylheptan-3-oneME9807811.120.91
2-[2-(2,6-Dimethylmorpholino)-2-oxoethoxy]phenyl N,N-dimethylcarbamateME9810141.120.91
11(Z),14(Z),17(Z)-Eicosatrienoic acidME9804041.120.91
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-oneME9807351.120.91
ValylprolineME9804071.130.91
UNII-UGT5535REQME9812511.130.91
U-47700-d6ME9807251.130.91
trans-ClovamideME9806461.130.91
TegaserodME9811951.130.91
Taurodeoxycholic AcidME9811481.130.91
Licochalcone AME9811111.130.91
Docosahexaenoic acidME9804481.130.91
Dibutyl sebacateME9813991.130.91
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acidME9807911.130.91
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acidME9806671.130.91
3-hydroxy-2-octylpentanedioic acidME9806921.130.91
N-TetradecanamideME9804911.120.93
PC (18:1/20:5)ME9805401.120.92
octadec-9-ynoic acidME9804821.120.92
N-benzyl-N-methyl-N^-phenylureaME9809041.120.92
N-Acetyl-S-allyl-L-cysteineME9813281.120.92
MethyldopaME9806661.120.92
EpitestosteroneME9804231.120.92
CholineME9803421.120.92
CarbaprostacyclinME9807861.120.92
Azetidine-2-carboxylic acidME9808021.120.92
AcetanilideME9809081.120.92
(±)13-HpODEME9809391.120.92
19(R)-HETEME9810451.120.92
trans-AnetholeME9810661.110.92
SM (d14:3/19:0)ME9812491.110.92
Prostaglandin E2-1-glyceryl esterME9812981.110.92
Picolinic acidME9805261.110.92
PC (18:4e/22:1)ME9810721.110.92
NeocuproineME9804391.110.92
N1-(4-{[(ethylamino)carbothioyl]amino}phenyl)-2-hydroxybenzamideME9808631.110.92
J147ME9813221.110.92
GeduninME9808821.110.92
Epimedin BME9812391.110.92
Cotinine N-oxideME9812961.110.92
6-methyl-4-(morpholinomethyl)-2H-chromen-2-oneME9806501.110.92
4-Pregnen-17alpha,20alpha-Diol-3-OneME9812611.110.92
2-allyl-2,3-dihydro-1H-dinaphtho[2,1-c:1,2-e]azepineME9810901.110.92
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyridineME9808001.110.92
1,4-Dihydro-1-Methyl-4-Oxo-3-PyridinecarboxamideME9813881.110.92
2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridineME9807131.110.92
α-ErgocryptineME9811321.040.97
XLR11 N-(4-hydroxypentyl) metaboliteME9808771.040.97
SulforidazineME9813001.040.97
RadicininME9805241.040.97
Pentadecanoic AcidME9811551.040.97
PC (17:0/18:5)ME9811731.040.97
ParacetamolME9806991.040.97
Nonanoic acidME9810281.040.97
N-[4-(cyanomethyl)phenyl]-N^-(2-fluorophenyl)ureaME9809131.040.97
Lysopc 17:0ME9811171.040.97
KinetinME9811151.040.97
Isopropyl myristateME9806341.040.97
5-HydroxytryptophanME9811121.040.97
5,5-dimethyl-3-morpholinocyclohex-2-en-1-oneME9810861.040.97
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidineME9810401.040.97
3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-oneME9805861.040.97
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acidME9807031.040.97
13-HPODEME9810001.040.97
11-Deoxy prostaglandin F1αME9809211.040.97
1,3-Dimethyluric acidME9806941.040.97
PC (17:0/18:4)ME9808271.050.97
LPE 18:2ME9814071.050.97
LPC 18:3ME9814121.050.97
Acetyl-L-carnitineME9803471.050.97
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamideME9806371.050.97
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamideME9806131.050.97
3-(3-morpholinopropyl)-2-(2-pyridinyl)-2,3-dihydro-4(1H)-quinazolinoneME9805791.050.97
DocosanamideME9804291.060.95
N-AcetylprocainamideME9812871.060.95
Prostaglandin G2ME9814441.050.96
PC (21:2/20:4)ME9811531.050.96
PC (14:1e/20:3)ME9808421.050.96
Methionine sulfoxideME9803811.050.96
Bis(3,5,5-trimethylhexyl) phthalateME9804931.050.96
BenzoylecgonineME9807171.050.96
ACar 18:2ME9805671.050.96
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamideME9804951.050.96
7-Hydroxy-3,4-dihydrocarbostyrilME9814231.050.96
SpermidineME9803681.060.96
Phenylpyruvic acidME9813731.060.96
PC (9:0/9:0)ME9811811.060.96
N1-(4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-yliden)anilineME9808921.060.96
Methyl-2-aminobenzoateME9803971.060.96
HexanoylcarnitineME9803601.060.96
(+/-)-epi CP 47, 497ME9812541.060.96
DY131ME9810681.060.96
CryptotanshinoneME9809381.060.96
4-Aminobutyric acidME9813491.060.96
CoumestrolME9809111.060.96
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamateME9807181.100.93
PE (18:0/20:5)ME9812451.100.93
PC (7:0/8:0)ME9814491.100.93
OctopineME9809401.100.93
N,N^-DiphenylureaME9811441.100.93
N,N-DiethyldodecanamideME9806581.100.93
N-AcetylornithineME9804201.100.93
Gly-TyrME9810821.100.93
D-SphingosineME9805811.100.93
Dl-3-Hydroxy-kynurenineME9812771.100.93
Cer-NDS (d16:0/16:0)ME9806441.100.93
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acidME9805111.100.93
4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazoleME9813201.100.93
tetranor-12(R)-HETEME9809801.090.93
PC (18:1/19:2)ME9811251.090.93
PC (16:2e/22:5)ME9809341.090.93
methadone-d9ME9814241.090.93
MaltitolME9808731.090.93
L-Pyroglutamic acidME9804501.090.93
17α-EthynylestradiolME9813541.090.93
Arachidonoyl amideME9809671.090.93
ValerophenoneME9811021.090.94
ResiniferatoxinME9812091.090.94
Phe-PheME9812401.090.94
PC (17:2/22:6)ME9813481.090.94
ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoateME9808721.090.94
2-OxindoleME9804331.090.94
EstazolamME9806121.090.94
PC (22:6e/13:0)ME9806841.080.94
PC (20:2/22:6)ME9810341.080.94
N-(cyclopropylmethyl)-N^-phenylureaME9810191.080.94
LPE 18:1ME9814091.080.94
Leukotriene E4ME9810911.080.94
DMKME9808701.080.94
Coenzyme Q2ME9806091.080.94
Cer-NDS (d16:0/12:0)ME9811041.080.94
BilirubinME9804711.080.94
8-Isoprostaglandin F1αME9806301.080.94
5-amino-6-fluoro[1,2,3]triazolo[1,5-a]quinazoline-3-carbonitrileME9806741.080.94
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranosideME9812651.080.94
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrileME9805121.080.94
UR-144 N-Heptyl analogME9811561.070.95
S-LactoylglutathioneME9803841.070.95
RotenoneME9814411.070.95
O,O-Diethyl thiophosphateME9808241.070.95
N-[2-acetyl-5-(tert-butyl)-3-thienyl]-2-(propylsulfanyl)nicotinamideME9810441.070.95
Mycophenolic acidME9809741.070.95
Michler^s ketoneME9806071.070.95
Methylhippuric acidME9803921.070.95
methyl 2-(acetylamino)-4,5-dimethoxybenzoateME9806281.070.95
EpinephrineME9806771.070.95
Diisobutyl adipateME9807511.070.95
DesoxycortoneME9807011.070.95
Cer-NDS (d14:0/16:0)ME9809331.070.95
AndrographolideME9806081.070.95
ACar 20:3ME9809681.070.95
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-olME9812951.070.95
4-Methylumbelliferone hydrateME9803931.070.95
4-(9H-fluoren-9-yl)pyridineME9813781.070.95
3-hydroxy-3-methylpentanedioic acidME9805881.070.95
3-(3-pyridinyl)propanoic acidME9811771.070.95
1-(1,3-benzodioxol-5-yl)-2-[4-(9H-fluoren-9-yl)piperazino]-1-ethanoneME9812351.070.95
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acidME9805231.070.95
Oleoyl ethanolamideME9805661.080.95
FRHME9813261.080.95
CapryloylglycineME9814191.080.95
Benzo[E]pyrazolo[5,1-c][1,2,4]triazin-8-yl N,N-dimethylcarbamateME9809641.080.95
15-Deoxy-Δ12,14-prostaglandin A1ME9806391.080.95
3-SuccinoylpyridineME9806861.080.95
MJN110ME9811880.911.07
17-AAGME9807100.911.07
5-fluoro AB-PINACA N-(4-hydroxypentyl) metaboliteME9805520.911.07
TKKME9804780.901.07
Thromboxane B1ME9806640.901.07
Salvinorin AME9814050.901.07
PE (16:0e/22:6)ME9810180.901.07
PC (20:3/22:6)ME9810410.901.07
PC (16:0e/20:4)ME9809000.901.07
PC (16:0/17:0)ME9813170.901.07
PC (14:1e/18:1)ME9808670.901.07
N-AcetylvalineME9813580.901.07
Avocadyne 1-acetateME9808620.901.07
AL 8810 Methyl esterME9810310.901.07
ACar 22:5ME9812080.901.07
5-chloro-2,8-dimethyl-4-[(3-nitro-2-pyridyl)oxy]quinolineME9810050.901.07
5-[(dimethylamino)methylidene]-3-phenyl-1,3-thiazolane-2,4-dioneME9811260.901.07
EstroneME9806980.881.08
YangoninME9806600.891.08
PC (14:1e/18:2)ME9811860.891.08
Aflatoxin M1ME9809900.891.08
GuanineME9805050.891.08
α-LapachoneME9809020.931.05
Prostaglandin K2ME9807630.931.05
PC (18:2/19:2)ME9808760.931.05
PC (16:0/17:1)ME9810240.931.05
N-Acetyl-L-tyrosineME9810640.931.05
methyl 1-isopropyl-1H-1,2,3-benzotriazole-5-carboxylateME9811290.931.05
L-DopaME9804760.931.05
IsotretinoinME9809180.931.05
ArtemisininME9806730.931.05
5,6-Dihydroxyindole-2-Carboxylic AcidME9812200.931.05
1-MethylhistidineME9804060.931.05
2,6-Di-tert-butyl-1,4-benzoquinoneME9803940.931.05
Prostaglandin F2α 1,9-lactoneME9808970.941.05
PC (17:0/18:0)ME9809820.941.05
PE (16:2e/22:3)ME9806930.941.05
PE (17:0/17:1)ME9805210.911.06
PC (4:0/16:2)ME9812530.911.06
PC (14:0e/16:2)ME9807120.911.06
N-MethyldioctylamineME9811820.911.06
Erucic acidME9808800.911.06
ACar 12:2ME9806880.911.06
cis-7-Hexadecenoic AcidME9809250.911.06
T-2 TriolME9806260.921.05
(S)-AL 8810ME9807150.921.05
2-{[(2-{[(2-hydroxyphenyl)methylene]amino}ethyl)imino]methyl}phenolME9805700.921.05
8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-oneME9811410.921.05
PC (16:2e/10:0)ME9809860.921.06
NADHME9810920.921.06
MedroxyprogesteroneME9810510.921.06
9-Oxo-10(E),12(E)-octadecadienoic acidME9803660.921.06
D-(+)-MaltoseME9807820.921.06
Roquefortine CME9806791.020.98
EtiocholanoloneME9812671.020.98
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediolME9809971.020.98
1-adamantyl(piperidino)methanoneME9809301.020.98
1-MethyladenosineME9804321.020.98
XLR11 N-(2-fluoropentyl) isomerME9811991.030.98
Penicillin GME9803551.030.98
PC (19:2/18:4)ME9812361.030.98
PC (18:2/18:3)ME9806031.030.98
PC (14:0e/2:0)ME9806191.030.98
LPC 15:0ME9814221.030.98
L-GlutamateME9812271.030.98
ErgocristineME9813661.030.98
Dehydrocholic acidME9814171.030.98
D-CysteineME9804081.030.98
Boc-beta-cyano-L-alanineME9811751.030.98
8-HydroxyquinolineME9804121.030.98
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-oneME9809011.030.98
4-(4-bromo-2-thienyl)-5-(1H-pyrrol-1-yl)-2-(2-thienyl)-3-furonitrileME9812911.030.98
2,3-Dinor-11β-prostaglandin F2αME9808091.030.98
2-hexyl-5-(4-nonylphenyl)pyrimidineME9812991.030.98
ViramuneME9812851.001.00
PC (19:2/19:2)ME9805131.001.00
PC (19:1/20:5)ME9807721.001.00
PC (18:4e/6:0)ME9809631.001.00
PC (16:2e/2:0)ME9805951.001.00
PC (14:0e/18:0)ME9813301.001.00
OxytetracyclineME9810021.001.00
OxethazaineME9810651.001.00
L-Glutamic acidME9804531.001.00
LDGTS 22:0ME9808251.001.00
LagochilinME9803751.001.00
KasugamycinME9812701.001.00
Dioctyldimethylammonium chlorideME9812041.001.00
AcetylcarnitineME9811501.001.00
5-Phenyl-1-pentanolME9807921.001.00
3,6-diphenyl-1,2-dihydro-1,2,4,5-tetraazineME9806891.001.00
2-PhenylbenzimidazoleME9809521.001.00
1-PalmitoylglycerolME9803461.001.00
10-NitrolinoleateME9812571.001.00
17(S)-HETEME9806351.001.00
Nicotinamide N-oxideME9806651.011.00
N4-AcetylcytidineME9804361.011.00
KahweolME9810491.011.00
5α-TetrahydrocortisolME9807071.011.00
DecanoylcarnitineME9804141.011.00
β-Alanine tert-butylesterME9804811.010.99
ScutellarinME9810121.010.99
Prostaglandin B1ME9804131.010.99
PE (19:2/19:2)ME9806291.010.99
PC (20:4e/20:5)ME9808061.010.99
PC (18:2/18:2)ME9808121.010.99
PC (18:1/18:1)ME9811941.010.99
P-Acetamidophenyl-b-D-glucuronideME9811691.010.99
N^2-(2-hydroxybenzylidene)-5-nitrofuran-2-carbohydrazideME9810991.010.99
Methyl VioletME9803511.010.99
L-ThreonineME9814141.010.99
Linoleoyl ethanolamideME9814261.010.99
HKKME9807271.010.99
EMHME9807521.010.99
Eicosapentaenoic acidME9804561.010.99
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thioneME9805371.010.99
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidineME9806551.010.99
3-(4-hydroxy-3-methoxyphenyl)propanoic acidME9810391.010.99
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamideME9809051.010.99
2-(14,15-Epoxyeicosatrienoyl) glycerolME9809791.010.99
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazideME9810621.010.99
Xanthurenic acidME9808131.020.99
SepiapterinME9808991.020.99
PC (22:5e/9:0)ME9810581.020.99
PC (16:1e/16:0)ME9805471.020.99
Indole-3-butyric acidME9813951.020.99
2,4-dihydroxyheptadec-16-en-1-yl acetateME9808841.020.99
DL-PanthenolME9813501.020.99
TheobromineME9804940.941.04
PC (16:1/17:2)ME9808050.941.04
PC (16:0/17:2)ME9807410.941.04
PC (14:1e/17:2)ME9807620.941.04
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylateME9808110.941.04
EstradiolME9810540.941.04
DAG (18:3/18:4)ME9807560.941.04
Ala-IleME9810600.941.04
11β-HydroxyandrosteroneME9807470.941.04
3-(methylsulfonyl)-2H-chromen-2-oneME9809730.941.04
PregnanetriolME9805250.951.04
O-PhosphocolamineME9805150.951.04
Nicotinamide adenine dinucleotide (NAD+)ME9809290.951.04
N-DesmethyltramadolME9805530.951.04
Ethyl chrysanthemumateME9814390.951.04
C.I. Basic Orange 2ME9804920.951.04
4-oxo-5-phenylpentanoic acidME9812920.951.04
6β-Hydrocodol N-oxideME9811160.951.04
Propionyl-L-carnitineME9814110.961.03
PE (18:1/20:5)ME9805750.961.03
PC (18:1/18:2)ME9804880.961.03
Leucine enkephalinME9813510.961.03
Glycocholic acidME9804540.961.03
(-)-ErythromycinME9811630.961.03
dG-C8-IQME9807650.961.03
Cer-NDS (d18:0/16:2)ME9813140.961.03
(+)-ar-TurmeroneME9804340.961.03
3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazoleME9808500.961.03
8-Aminooctanoic acidME9813190.961.03
WortmanninME9809690.951.03
PropionylcarnitineME9803650.951.03
PhosphocholineME9804960.951.03
PC (20:4/22:6)ME9810840.951.03
Oleoyl ethylamideME9811680.951.03
Lysopc 18:3ME9810760.951.03
Nervonic AcidME9808100.951.03
Tetranor-12(S)-HETEME9810130.971.02
Stearoyl EthanolamideME9810800.971.02
Pyroglutamic acidME9805160.971.02
NNHME9810100.971.02
N6,N6,N6-Trimethyl-L-lysineME9803910.971.02
N-(2-Furoyl)glycineME9805330.971.02
L-Alanyl-L-prolineME9809310.971.02
Ethyl oleateME9804350.971.02
D-glutamineME9805170.971.02
CystamineME9812600.971.02
ColchicineME9811210.971.02
Catechin gallateME9811670.971.02
Adrenic acidME9804570.971.02
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acidME9810890.971.02
AcetophenoneME9803800.971.02
N2-Acetyl-L-ornithineME9810330.981.02
Coproporphyrin III tetramethyl esterME9811540.981.02
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-oneME9804990.981.02
5-CarboxymeloxicamME9806490.981.02
N-(9-oxodecyl)acetamideME9807050.991.00
PalmitoylethanolamideME9812120.991.00
Δ2-trans-Hexadecenoic acidME9813130.991.01
Sphingosine (d18:1)ME9807850.991.01
RiboflavinME9804680.991.01
p-Mentha-1,3,8-trieneME9806630.991.01
OctadecanamineME9803740.991.01
N,N-Dimethyldecylamine N-oxideME9803890.991.01
GlaucineME9809840.991.01
(±)8-HEPEME9808340.991.01
7-methyl-3-nitroimidazo[1,2-a]pyridineME9810370.991.01
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dioneME9811720.991.01
2,4-DimethylbenzaldehydeME9803780.991.01
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acidME9808560.991.01
15-Deoxy-Δ12,14-prostaglandin J2-2-glycerol esterME9808780.991.01
1-StearoylglycerolME9803450.991.01
Tazobactam sodiumME9811350.981.01
PE (16:1e/20:4)ME9809960.981.01
Lysops 22:5ME9807390.981.01
Hippuric acidME9804600.981.01
4-Hydroxybenzoic acidME9811900.981.01
AllantoinME9805100.981.01
SpermineME9804020.831.12
Normeperidine-d4ME9807610.831.12
D-TagatoseME9806690.831.12
CortisolME9804220.831.12
APKME9807980.831.12
ACar 10:1ME9808460.831.12
5-Phenylvaleric AcidME9811600.831.12
16α-HydroxydehydroepiandrosteroneME9807320.831.12
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridineME9805030.831.12
ScopolamineME9808040.841.12
PhenylacetylglycineME9804630.841.12
PC (14:0e/6:0)ME9812800.841.12
Dihomo-γ-linolenoyl ethanolamideME9809500.841.12
9-benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-oneME9811130.841.12
CinchophenME9809850.841.12
TAG (12:3-12:3-14:0)ME9808380.841.11
RobenidineME9808080.841.11
PC (18:4e/16:4)ME9812240.841.11
PC (18:2e/13:0)ME9810210.841.11
N6-(5-methylisoxazol-3-yl)-1,3-benzothiazole-6-carboxamideME9811140.841.11
N^1-(6-methylpyridazin-3-yl)-4-chlorobenzene-1-carbohydrazideME9805870.841.11
InosineME9803480.841.11
Cytidine 5^-diphosphocholineME9803960.841.11
ACar 15:0ME9806050.841.11
Cer-NDS (d16:0/18:1)ME9810590.841.11
Validamycin AME9807260.851.11
TQHME9805300.851.11
PsilocybinME9807500.851.11
PC (19:0/20:5)ME9813700.851.11
N-Oleoyl dopamineME9811000.851.11
LPE 22:5ME9814150.851.11
LLKME9804850.851.11
CannabichromevarinME9810750.851.11
DeoxynivalenolME9809890.851.11
PC (14:1e/16:2)ME9813520.851.10
α,α-DiphenylglycineME9813570.861.10
RaltitrexedME9808470.861.10
NorepinephrineME9811740.861.10
D-Xylonic AcidME9813150.861.10
3-(2-thienylmethylidene)chroman-4-oneME9805980.861.10
5-trans prostaglandin F2βME9808540.861.10
PyrithioxinME9813060.871.10
Salvinorin BME9814450.871.10
Ofloxacin impurity EME9813840.871.09
N,N-DimethylsphingosineME9804270.871.09
N-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N^-methylureaME9805490.871.09
Mag (18:1)ME9806510.871.09
FenbendazoleME9811920.871.09
DiflorasoneME9807670.871.09
(±)5(6)-DiHETME9807460.871.09
4-methyl-2-oxo-8-propyl-2H-chromen-7-yl (dimethylamino)methanethioateME9809780.871.09
2-(2-acetyl-3,5-dihydroxyphenyl)acetic acidME9809700.871.09
2-Arachidonoyl glycerolME9803860.871.09
RosuvastatinME9813670.881.09
N-AcetylsphingosineME9810940.881.09
cAMPME9812420.881.09
MelatoninME9812170.881.09
TrehaloseME9812810.821.13
StyreneME9805450.821.13
PC (20:4/20:5)ME9807940.821.13
PC (18:5e/19:2)ME9808590.821.13
PC (18:3e/2:0)ME9810710.821.13
PC (18:0/20:5)ME9804970.821.13
OtenzepadME9812550.821.13
NormorphineME9809140.821.13
ACar 7:0ME9808190.821.13
9-Oxo-ODEME9803980.821.13
6-Deoxy-D-glucoseME9809420.821.13
(5Z)-3-aminonon-5-enoic acidME9808210.821.13
(+/-)12(13)-DiHOMEME9813920.821.13
2-Amino-1,3-octadecanediolME9803730.821.13
TAG (16:4-16:4-18:4)ME9813010.811.13
PC (16:0e/22:5)ME9813600.811.13
Pantothenic acidME9804510.811.13
OctopamineME9808790.811.13
fentanyl-d5ME9807790.811.13
Anandamide (AEA)ME9804300.811.13
AL 8810ME9813100.811.13
1-(2-pyridin-2-yldiazenyl)-2-naphtholME9805510.811.13
3-MethylxanthineME9804000.811.13
(R)-3-Hydroxy myristic acidME9814270.801.14
PC (20:4/20:4)ME9806680.801.14
PC (18:2/20:5)ME9808300.801.14
Palmitoyl sphingomyelinME9804210.801.14
NatamycinME9809560.801.14
MonolaurinME9808660.801.14
Dehydroepiandrosterone (DHEA)ME9809910.801.14
DehydroaripiprazoleME9804260.801.14
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrileME9806970.801.14
4-morpholino-6-phenylthieno[2,3-d]pyrimidineME9809950.801.14
SM (d27:1/12:1)ME9805000.811.14
Lysopa 16:0ME9812940.811.14
EstriolME9807000.811.14
CreatineME9804440.811.14
Cannabidiolic acidME9814180.811.14
ACar 18:3ME9808220.811.14
ACar 15:1ME9809870.811.14
2-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)acrylonitrileME9810570.811.14
(2,6-dimethylmorpholino)(1-methyl-5-nitro-1H-pyrazol-4-yl)methanoneME9812520.811.14
LDGTS 20:0ME9808030.771.16
KPHME9811790.771.16
Indole-3-acetic acidME9804770.771.16
2,3-dihydroxypropyl 12-methyltridecanoateME9805380.771.16
4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazoleME9806830.771.16
α-HydroxyalprazolamME9813400.781.16
SM (d15:2/20:2)ME9812230.781.16
Methyl indole-3-acetateME9804720.781.16
s7pME9813760.781.16
ProgesteroneME9804090.801.15
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-oneME9806570.781.15
Υ-L-Glutamyl-L-glutamic acidME9805430.791.15
ethyl 2-[(2-thienylcarbonyl)amino]acetateME9812000.791.15
DeflazacortME9813310.791.15
BrucineME9807420.791.15
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acidME9805080.791.15
2-MethylbutyroylcarnitineME9812210.791.15
TetrahydroaldosteroneME9814160.741.19
DiacereinME9808810.741.19
gamma-NonanolactoneME9814430.741.19
4-oxododecanedioic acidME9805580.731.20
PC (20:5e/19:2)ME9808870.731.19
Milbemycin A4 oximeME9811230.731.19
Glu-GluME9813890.731.19
1-Methyluric acidME9808520.731.19
bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonateME9806540.731.19
CefapirinME9807240.741.18
NeoandrographolideME9806710.751.18
Ergosterol peroxideME9804410.751.18
CDPME9813360.751.18
(-)-Caryophyllene oxideME9805340.751.18
1-NaphtholME9812860.751.18
2-MethoxybenzaldehydeME9807740.751.18
SM (d14:1/14:0)ME9813790.771.17
PregnenoloneME9804010.761.17
PC (18:4e/2:0)ME9805680.761.17
CaffeineME9804310.761.17
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamideME9808430.761.17
Albendazole sulfoneME9809070.761.17
4-methylpyridine-3-sulfonic acidME9805920.711.20
TritylalcoholME9805550.711.20
PC (16:0e/14:0)ME9807430.721.20
MaltotetraoseME9808280.721.20
Cer-NS (d18:1/19:0)ME9810780.721.20
HexCer-NS (d18:1/16:0)ME9810880.721.20
Cer-NS (d17:1/16:0)ME9808860.701.21
PC (14:1e/15:1)ME9812730.701.21
Tetranor-12R-HETEME9806240.711.21
PC (20:4e/2:0)ME9808890.711.21
OrlistatME9813290.711.21
IsoquinolineME9807990.711.21
Glycerol-3-phosphateME9807400.711.21
DL-NorvalineME9804800.711.21
DL-α-Aminocaprylic acidME9803880.711.21
PE (21:2/16:3)ME9810670.681.23
OleamideME9805220.681.23
MonensinME9814210.681.23
LPC 16:2ME9814400.681.23
Jasmonic acidME9804640.681.23
8(9)-EET EthanolamideME9808690.681.23
2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]nicotinamideME9813380.681.23
5^-S-Methyl-5^-thioadenosineME9807080.681.23
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamideME9808010.701.22
4,7,8-trimethoxyfuro[2,3-b]quinolineME9811760.701.22
9-HOTrEME9805730.701.22
β-AsaroneME9812190.691.22
ThymineME9803830.691.22
PC (18:5e/22:6)ME9810030.691.22
N1-(2-amino-2-oxoethyl)-2-(isopropylthio)acetamideME9805890.691.22
AndrosteroneME9807340.691.22
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrateME9806270.691.22
all-cis-4,7,10,13,16-Docosapentaenoic acidME9804470.691.22
ChlortetracyclineME9805640.561.31
Cer-NS (d18:1/21:0)ME9810160.571.31
EpigallocatechinME9805060.571.31
ACar 6:1ME9808140.561.32
Aflatoxin G2ME9807020.551.32
RhoifolinME9812750.581.30
LaudanosineME9807370.581.30
CorticosteroneME9804740.581.30
Guanidineacetic acidME9813930.581.30
RacecadotrilME9807140.591.29
Cefpodoxime proxetilME9813440.591.29
(+/-)5(6)-EET EthanolamideME9803850.591.29
3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]quinazolin-6-oneME9807300.591.29
3,4-Dihydroxyphenylpropionic acidME9812140.591.29
4-acetyl-4-(ethoxycarbonyl)heptanedioic acidME9808440.601.29
DehydroepiandrosteroneME9810470.601.29
L-Glutathione oxidizedME9804450.601.28
MonooleinME9803610.611.28
PC (18:2e/22:5)ME9813640.621.27
CiticolineME9807190.621.27
3-Nitro-L-TyrosineME9813460.621.27
5-Methoxyindole-3-CarbaldehydeME9813160.621.27
Gambogic acidME9808530.631.27
PC (17:2/18:5)ME9807760.631.27
PC (18:4e/5:0)ME9809200.641.26
PanthenolME9804750.631.26
PC (19:0/19:1)ME9810970.631.26
1-(2,4-dichlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-oneME9807890.661.25
Arachidic AcidME9806180.651.25
3,4-dimethyl-N-[4-(4-methylpiperazino)benzyl]benzamideME9811220.651.25
AcylGlcADG (20:5-22:6-22:5)ME9812690.651.25
SedanolideME9810300.661.24
N1-(2-cyanoethyl)-N1-cyclohexyl-4-bromobenzene-1-sulfonamideME9807380.661.24
C-8 Ceramide-1-phosphateME9810270.661.24
Ginsenoside Rg2ME9807900.661.24
Lysopc 20:4ME9811850.671.24
PC (14:1e/18:5)ME9810960.671.24
N-Acetyl-Asp-GluME9805991.630.55
methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetateME9809981.630.55
ACar 20:1ME9809541.630.55
Ecgonine methyl esterME9803691.630.55
6-Hexanoyl-D-erythro-sphingosineME9811521.640.54
16α-HydroxyestroneME9813591.640.54
5-Methyltetrahydrofolic acidME9804731.640.54
ErgosterolME9811591.650.54
MelicopidineME9809171.650.54
Phe-ProME9808741.680.51
SNHME9806411.660.53
PC (14:1e/2:0)ME9814041.660.53
PC (14:0e/3:0)ME9812721.660.53
NaftopidilME9812051.660.53
LPC 16:4ME9808551.660.53
CerivastatinME9812561.660.53
Leucocrystal violetME9803821.660.53
N-(4-butyl-2-methylphenyl)-N^-[4-(4-methylpiperazino)phenyl]ureaME9805851.670.52
CreatinineME9803521.670.52
MNKME9809591.670.52
Tributyl citrateME9803761.600.57
1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2(1H)-oneME9807211.600.57
5α-Pregnan-3,20-dioneME9813021.600.57
SM (d17:3/16:2)ME9809461.620.56
1-(4-Methoxyphenyl)-2-propanoneME9810221.620.56
[4-(tert-butyl)phenyl](1H-imidazol-2-yl)methanoneME9811971.620.56
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acidME9805071.610.56
YLKME9809191.610.56
7-KetocholesterolME9805201.610.57
Royal jelly acidME9814301.610.57
Proline-hydroxyprolineME9810481.590.58
DihydrokawainME9804371.590.58
4-(allyloxy)-1,2-dihydroquinolin-2-oneME9811611.590.58
4-HexylresorcinolME9812331.590.58
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-oneME9809601.580.58
TriptolideME9811621.580.58
2-Hydroxypropyl nortadalafilME9812021.580.59
3-MethoxytyramineME9809151.580.59
PC (22:6e/9:0)ME9812011.560.60
6-Ketoprostaglandin F1αME9804891.560.60
AtropineME9808511.560.60
PalmitoylcarnitineME9803591.570.59
6-MethylnicotinamideME9806871.570.59
Feruloyl PutrescineME9813111.570.59
(+)-AphidicolinME9807951.800.43
LPE 16:1ME9814021.800.43
LDGTS 14:1ME9809931.820.41
SM (d21:2/12:1)ME9805741.830.40
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-oneME9808911.840.40
LDGTS 13:1ME9805691.840.40
PC (17:2/17:2)ME9806161.720.48
KMHME9810261.720.49
Sildenafil N-oxideME9808601.720.49
SpectinomycinME9807881.710.50
Leukotriene C4ME9808451.700.50
Taurocholic acidME9806041.700.50
EPKME9809271.770.45
16(R)-HETEME9808321.770.45
D-(+)-TryptophanME9804051.770.45
3-hydroxyquinuclidine-3-carbonitrile hydrochlorideME9811061.740.47
PC (16:0/16:1)ME9804901.760.46
N-lactoyl-phenylalanineME9812071.750.46
All-Trans-13,14-DihydroretinolME9812321.750.46
CyclocytidineME9807091.750.46
L-KynurenineME9803571.750.47
PE (18:1/18:1)ME9805601.750.47
LPE 22:4ME9814291.250.82
Bicyclo prostaglandin E2ME9806211.250.82
ACar 22:6ME9810421.250.82
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diolME9805281.250.82
3^-Adenosine monophosphate (3^-AMP)ME9804031.250.82
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamideME9809281.250.82
(+/-)11(12)-EETME9805191.250.82
20-Carboxy-Leukotriene B4ME9812741.250.82
SolanineME9811841.260.81
N-acetyl-D-glucosamineME9813071.260.81
FNKME9806521.260.81
BenzamidineME9806361.260.81
Amisulpride N-oxideME9811371.260.81
1-(2^-fluoro[1,1^-biphenyl]-4-yl)propan-1-oneME9806201.260.81
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acidME9812641.260.81
TryptophanolME9812061.260.82
SinomenineME9812791.260.82
para-methoxy-Butyryl fentanyl-d7ME9805541.260.82
HexadecanamideME9803491.260.82
BoldioneME9812291.260.82
BiotinME9814351.260.82
5α-Dihydrotestosterone glucuronideME9813681.260.82
5^-Adenylic acidME9811191.260.82
1,3-DiphenylacetoneME9810201.260.82
4-DeacetylneosolaniolME9812841.260.82
SM (d14:0/20:2)ME9812591.270.81
PC (3:0/4:0)ME9814331.270.81
MupirocinME9810171.270.81
LysoPE 18:2ME9811651.270.81
L-Leucyl-L-AlanineME9809651.270.81
L-(+)-CitrullineME9806951.270.81
IsoxanthopterinME9811421.270.81
HydroxyamphetamineME9811271.270.81
ERHME9811301.270.81
BiliverdinME9804871.270.81
Choline GlycerophosphateME9812431.270.81
PC (5:0/5:0)ME9810091.270.80
ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]acetateME9810061.270.80
16,16-Dimethyl prostaglandin A1ME9810081.270.80
6β-NaltrexolME9807601.270.80
Prostaglandin A3ME9807831.280.80
PC (20:2/20:2)ME9810041.280.80
PC (17:0/17:1)ME9804861.280.80
PC (14:0e/4:0)ME9812261.280.80
Obscurolide A1ME9813371.280.80
MethandrostenoloneME9814521.280.80
HET0016ME9807331.280.80
CytidineME9804581.280.80
Asp-PheME9814421.280.80
6-AcetylmorphineME9811781.280.80
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oximeME9809551.280.80
2-PhenylacetamideME9806801.280.80
3-MethylindoleME9814061.280.80
Glu-ThrME9813241.330.77
S-Sulfo-L-cysteineME9813651.320.77
PyridoxamineME9804241.320.77
N-Acetyl-L-leucineME9804621.320.77
N-Acetyl-DL-valineME9807871.320.77
N-(5-acetamidopentyl)acetamideME9809441.320.77
Kynurenic acidME9804381.320.77
DLKME9810531.320.77
4^,7-DihydroxyflavanoneME9811581.320.77
6β-Oxycodol N-oxideME9805831.320.77
VNHME9809031.310.78
Tyr-Tyr-TyrME9810741.310.78
ThiamineME9804171.310.78
QNKME9811511.310.78
PC (4:0/16:4)ME9813561.310.78
PC (18:1e/16:1)ME9807291.310.78
PC (18:0/19:2)ME9812441.310.78
PC(16:0/16:0)ME9809571.310.78
PC (10:0/16:3)ME9813431.310.78
Ne-(1-Carboxymethyl)-L-lysineME9808331.310.78
Docosapentaenoic acidME9804551.310.78
EscitalopramME9810351.310.78
L-HistidineME9804651.300.78
RadicicolME9806471.300.78
D-ProlineME9804981.300.81
N1-(2,6-dimorpholino-3-pyridyl)-4-methylbenzamideME9808351.290.80
DebrisoquineME9813831.290.80
DL-CarnitineME9803561.290.80
TomelukastME9812301.290.79
TAG (16:0-20:3-20:3)ME9812371.290.79
Oleoyl-L-alpha-lysophosphatidic acidME9813331.290.79
MethyltestosteroneME9808481.290.79
MethanandamideME9806481.290.79
Lipoic acidME9810831.290.79
Homocysteic acidME9813391.290.79
HistamineME9804161.290.79
Glycyl-L-leucineME9814481.290.79
EnalaprilatME9812621.290.79
ACar 18:1ME9805481.290.79
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acidME9811091.290.79
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-propanoneME9809811.290.79
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazoleME9805141.290.79
ShikoninME9809511.300.79
PE (14:1e/24:4)ME9807961.300.79
PC (20:2/20:3)ME9806141.300.79
PC (16:1/16:1)ME9811201.300.79
HypoxanthineME9804431.300.79
Furanyl fentanyl 3-furancarboxamide isomer-d5ME9808651.300.79
ACar 13:0ME9806431.300.79
5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]imidazoleME9809611.300.79
15-keto Prostaglandin E1ME9805321.300.79
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dioneME9805501.300.79
Valeryl fentanyl-d5ME9805631.240.83
Tauroursodeoxycholic acidME9813811.240.83
PC (4:0/5:0)ME9806451.240.83
PC (19:2/18:5)ME9812161.240.83
PC (17:0/18:3)ME9805841.240.83
Glycerophospho-N-palmitoyl ethanolamineME9804671.240.83
GelsemineME9808611.240.83
Eicosapentaenoic acid ethyl esterME9806011.240.83
3,5-di(2-furylmethylidene)tetrahydro-2H-pyran-4-oneME9805801.240.83
2-Amino-1,3,4-octadecanetriolME9803621.240.83
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehydeME9808881.240.83
15-AcetyldeoxynivalenolME9810071.240.83
SerotoninME9812251.230.84
PC (17:1/17:2)ME9805271.230.84
PC (14:1e/4:0)ME9806531.230.84
Palmitoyl ethanolamideME9803901.230.84
ACar 16:1ME9805011.230.84
2-PhenylglycineME9809061.230.84
1-(3,4-dimethoxyphenyl)ethan-1-one oximeME9806321.230.84
1,2-dihydroxyheptadec-16-yn-4-yl acetateME9809261.230.84
12(S)-HETEME9808291.230.84
SM (d14:0/13:1)ME9813871.230.83
PS (6:0/8:0)ME9808901.230.83
PE (18:1e/20:4)ME9805911.230.83
LPC 18:4ME9805361.230.83
Glucose-6-phosphateME9811361.230.83
DL-2-(acetylamino)-3-phenylpropanoic acidME9808751.230.83
5-Methyl-2^-deoxycytidineME9812471.230.83
4-HydroxypropranololME9813631.230.83
4-morpholinobenzoic acidME9810321.230.83
PC (4:0/4:0)ME9810231.220.84
PC (20:5e/22:4)ME9812281.220.84
PC (20:3/20:4)ME9805941.220.84
PC (19:1/19:1)ME9806171.220.84
OsajinME9807681.220.84
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamideME9807641.220.84
LPE 20:3ME9814341.220.84
Hexamethylene bisacetamideME9808201.220.84
Cer-NDS (d20:0/18:0)ME9807701.220.84
CantharidinME9813691.220.84
ANKME9809091.220.84
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diolME9805021.220.84
6-GingerolME9814471.220.84
PC (14:1e/19:1)ME9807711.220.85
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acidME9805311.220.85
Cholest-4-en-3-oneME9804281.220.85
TyramineME9813121.210.85
PhenylacetylglutamineME9814501.210.85
PC (5:0/13:1)ME9814101.210.85
LimoninME9811341.210.85
HomoarginineME9808571.210.85
GuvacolineME9808171.210.85
gamma-GlutamyltyrosineME9814011.210.85
(+/-)-CP 47,497-C7-Hydroxy metaboliteME9809451.210.85
3-[(2-phenyl-1H-imidazol-4-yl)methylene]-1,3-dihydro-2H-indol-2-oneME9807541.210.85
Cer-NDS (d20:0/16:0)ME9806781.210.85
UR-144 N-(2-hydroxypentyl) metaboliteME9808981.200.86
Prostaglandin H1ME9811071.200.86
PC (15:0/16:0)ME9811831.200.86
DextrorphanME9813771.200.86
4-Acetamidobutyric AcidME9809471.200.86
3-benzyl-3-butylquinoline-2,4(1H,3H)-dioneME9812821.200.86
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triolME9811101.200.86
2-Aminobenzenesulfonic acidME9813741.200.86
1-(4-bromophenyl)-2-phenylethan-1-oneME9808931.200.86
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-oneME9812831.200.86
PC (20:3/20:3)ME9808581.190.87
PC (17:0/17:0)ME9805461.190.87
Indole-3-acrylic acidME9803501.190.87
AdenineME9804661.190.87
4-AminoindoleME9812631.190.87
(+/-)11(12)-DiHETME9806961.190.87
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-oneME9808961.190.87
nor-6β-OxycodolME9814371.190.86
N-[4-(4-methylpiperazino)phenyl]-2-phenylacetamideME9809321.190.86
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamideME9808361.190.86
ErgothioneineME9812581.190.86
DL-TryptophanME9804491.190.86
5-morpholino-2,4(1H,3H)-pyrimidinedioneME9805961.190.86
5-amino-2-(dimethylamino)benzoic acidME9806331.190.86
4-(4-methoxyphenyl)-2-(methylthio)pyrimidineME9810931.190.86
19(R)-hydroxy Prostaglandin A2ME9814531.190.86
13,14-dihydro-15-keto-tetranor Prostaglandin E2ME9808941.190.86
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-oneME9807691.190.86
UracilME9804831.180.89
PC (14:1e/3:0)ME9808711.180.87
N-MethyllysineME9806401.180.87
N-[5-(tert-butyl)-3-isoxazolyl]-N^-[2-(trifluoromethoxy)phenyl]ureaME9813231.180.87
KanosamineME9811571.180.87
Glycoursodeoxycholic acidME9813961.180.87
Erythrono-1,4-lactoneME9806021.180.87
Arachidonic acid methyl esterME9812341.180.87
4-methoxy-9-(2-methylbut-3-en-2-yl)-7H-furo[3,2-g]chromen-7-oneME9808161.180.87
2-Thio-acetyl MAGEME9812411.180.87
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazoleME9806851.180.87
1-(4-butylphenyl)-3-(dimethylamino)propan-1-one hydrochlorideME9809921.180.87
2,3-Dinor-TXB2ME9810011.180.87
SM (d14:1/16:0)ME9813031.170.88
S-Adenosyl-L-methionineME9808851.170.88
Prostaglandin E1ME9809761.170.88
Pipecolic acidME9809621.170.88
PC (16:2e/5:0)ME9812031.170.88
NeosaxitoxinME9812501.170.88
N-Acetyl-DL-phenylalanineME9813081.170.88
MusconeME9804841.170.88
jwh-018-d11ME9805611.170.88
D-2-Aminoadipic acidME9814461.170.88
CGS 12066BME9812131.170.88
ACar 20:4ME9805351.170.88
5-HydroxytryptopholME9813041.170.88
3-Methoxy prostaglandin F1αME9811711.170.88
5-HydroxyindoleME9812221.170.88
Vitamin AME9810851.160.88
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-oneME9807221.160.88
PC (20:5e/22:6)ME9811911.160.88
PE (16:2e/18:0)ME9806421.400.71
NornicotineME9811641.400.71
L-lysineME9806901.400.71
DGTS (2:0/7:0)ME9810431.400.71
4-(Diethylamino)benzaldehydeME9811871.400.71
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-oneME9812111.400.71
SteviosideME9809721.410.71
PC (16:2e/7:0)ME9810361.410.71
NicotinamideME9803431.410.71
GNKME9811011.410.71
FenpropimorphME9804791.410.71
CathinoneME9813451.410.71
D-PanthenolME9807591.410.71
SM (d14:1/20:1)ME9811461.390.72
RQHME9810951.390.72
PAF C-16ME9813531.390.72
DiacetoxyscirpenolME9806621.390.72
HRHME9812481.390.72
PC (18:3e/3:0)ME9810111.400.72
DL-ArginineME9803641.400.72
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamideME9811031.400.72
α-AspartylphenylalanineME9804181.380.73
TroloxME9814081.380.73
Thromoboxane B1ME9807161.380.73
R-1 Methanandamide phosphateME9812381.380.73
PC (7:0/16:4)ME9813471.380.73
PaliperidoneME9812901.380.73
OleandomycinME9809411.380.73
ACar 18:0ME9806221.380.73
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazoleME9811981.380.73
2-Hydroxy-3-methylbutanoic acidME9813721.380.73
Ascorbyl palmitateME9814361.370.73
Withanolide AME9811431.370.73
YMKME9813751.360.74
TNKME9808231.360.74
PC (7:0/13:1)ME9813611.360.74
ACar 20:5ME9810811.360.74
4-(1-adamantyl)-2-methyl-1,3-thiazoleME9805441.360.74
2-PhenylethylamineME9811051.360.74
3-(3,4-dihydroxyphenyl)propanoic acidME9806061.360.74
RLKME9810291.370.74
LPC 16:3ME9810611.370.74
(±)-Abscisic acidME9812101.370.74
LeucylprolineME9803991.370.74
CytosineME9805091.360.77
PC (16:2e/4:0)ME9812151.340.76
NorfloxacinME9812711.340.76
NelfinavirME9809491.340.76
Muramic acidME9810461.340.76
LPC 8:0ME9809991.340.76
L(-)-CarnitineME9803541.340.76
C-6 NBD ceramideME9813411.340.76
BitertanolME9811491.340.76
Adenosine 5^-monophosphateME9807581.340.76
17alpha-HydroxyprogesteroneME9807551.340.76
1,7-bis(4-hydroxyphenyl)heptan-3-oneME9806821.340.76
Uridine 5^-monophosphateME9813091.330.76
EcgonineME9804691.330.76
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-oneME9809361.330.76
3-(benzylthio)-5-[4-(tert-butyl)phenyl]-4-methyl-4H-1,2,4-triazoleME9810151.330.76
XLR11 N-(4-pentenyl) analogME9811701.350.75
PC (2:0/16:2)ME9813341.350.75
OrientinME9812181.350.75
Oleanolic acidME9811391.350.75
Gamma-Glu-LeuME9812891.350.75
Anacardic acidME9804401.350.75
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamideME9808371.350.75
4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acidME9809101.350.75
4-(4-nitrophenylazo)anilineME9807441.350.75
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamineME9807801.350.75
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-olME9810701.350.75
N,N-DimethylarginineME9806311.340.75
Methyl nicotinateME9813351.340.75
Cyclohexaneacetic acidME9811471.340.75
indoline-2-carboxylic acidME9805771.340.75
ProlylleucineME9813971.530.62
PC (26:2/22:4)ME9805711.530.62
N-Acetyl-L-carnosineME9807451.530.62
L-(-)-MethionineME9803531.530.62
IndoleME9803631.530.62
2-MethoxyresorcinolME9804251.530.62
AmlexanoxME9810631.530.62
PC (13:0/13:1)ME9808491.540.62
6-HydroxymelatoninME9804191.540.62
HypotaurineME9805781.540.62
EnrofloxacinME9809581.540.61
MAG (18:3)ME9806811.550.61
5-Hydroxyindole-3-acetic acidME9814031.550.61
7,8-dimethyl-1,2,3,4-tetrahydrophenazineME9810981.550.61
L-PhenylalanineME9804521.510.63
AnserineME9814511.510.63
1,7-bis(3,4-dihydroxyphenyl)heptan-3-oneME9810381.510.63
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-oneME9809371.510.63
PergolideME9813251.520.63
PC (6:0/16:3)ME9811281.520.63
PC (22:6e/8:0)ME9811401.520.63
2-acetamido-3-(4-methoxyphenyl)propanoic acidME9806001.520.63
Chenodeoxycholic acid-3-beta-D-glucuronideME9812971.520.63
IfenprodilME9805901.480.65
FlavanoneME9813821.490.65
3-HydroxylidocaineME9806911.490.65
CelastrolME9807231.490.65
Thr-LeuME9810771.510.64
Fludrocortisone acetateME9810251.500.65
L-TyrosineME9804461.500.64
LSD-d3ME9809751.500.64
Lidocaine N-oxideME9811451.500.64
DPKME9811081.500.64
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrileME9812461.500.64
2-Arachidonyl Glycerol etherME9808261.500.64
2-Hydroxycinnamic acidME9813911.500.64
2-piperidinobenzoic acidME9807781.460.67
PerillartineME9808681.460.67
TerbutalineME9811891.470.67
SitagliptinME9813711.470.67
Phenylpropiolic acidME9805621.470.67
RPKME9813211.470.67
TyrosylalanineME9807571.480.66
PC (8:0/8:0)ME9809431.480.66
CarbendazimME9810501.480.66
4-(pentyloxy)benzene-1-carbohydrazideME9807771.480.66
Angiotensin IVME9804421.480.66
PC (13:0/13:0)ME9811801.470.66
N-MethylparoxetineME9809161.470.66
N-Acetyl-DL-tryptophanME9811311.470.66
6-cyclohex-3-enyl-5-nitropiperidin-2-oneME9808401.470.66
CycloheximideME9803951.470.66
T-2 ToxinME9812311.450.68
PC (18:0/18:1)ME9806151.450.68
PC (14:0e/22:2)ME9813551.450.68
N-Stearoyl taurineME9810691.450.68
LPE 18:0ME9814251.450.68
LPC 9:0ME9807201.450.68
isoleucineME9813941.450.68
Fumonisin B2ME9814321.450.68
CafestolME9803701.450.68
17beta-TrenboloneME9811661.450.68
4-Quinolinecarboxylic acidME9809941.450.68
Ala-GlnME9807931.440.69
Luotonin AME9806751.440.69
N1-pyrazin-2-yl-4-chlorobenzamideME9807481.440.68
p-HydroxybenzaldehydeME9805561.440.68
StearamideME9803581.420.70
L-Threonic acid-1,4-lactoneME9805041.420.70
LDGTS 15:1ME9808951.420.70
Guanidinoethyl sulfonateME9813271.420.70
GPKME9808071.420.70
18-β-Glycyrrhetinic acidME9813621.420.70
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-oneME9809711.420.70
Uridine 5^-Diphospho-N-AcetylgalactosamineME9813861.430.69
TetramethylpyrazineME9804101.430.69
PC (22:6e/7:0)ME9809121.430.69
L-ArgininosuccinateME9812661.430.69
AcetylcholineME9808831.430.69
Indole-3-lactic acidME9804701.430.69

Factors:

F1Group:Control
F2Group:Normal
Data matrix
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