Clustering data with hclust algorithm for (Study ST003213)

(Analysis AN005269)
MetaboliteStructureF1F2
Prolyl-HistidineME836546NA1.00
MetoclopramideME837186NA1.00
MepivacaineME836976NA1.00
L-Tyrosine methyl esterME836381NA1.00
EphedrineME835999NA1.00
EmodinME836738NA1.00
Butenoyl-PAFME836428NA1.00
3,4,5-Trimethoxycinnamic AcidME836342NA1.00
4-HydroxyquinolineME836684NA1.00
HyperosideME8371831.330.02
Lys-ThrME8366691.00NA
IsocarboxazidME8367481.00NA
HydrochlorothiazideME8362261.00NA
FormamideME8361071.00NA
Cortisol 21-AcetateME8364001.00NA
Acetaminophen sulfateME8361541.00NA
3-MethylxanthineME8363081.00NA
3-Guanidinopropionic acidME8366141.00NA
1,2-epoxy-3-(p-nitrophenoxy) propaneME8361081.00NA
2-MethyltryptolineME8369371.00NA
(S)-3-(2-Methylphenoxy)propane-1,2-diolME8367531.790.21
S-Sulfo-L-CysteineME8362941.720.76
3-Hydroxy-7,12-diketocholanoic acidME8370411.640.36
19-HydroxytestosteroneME8367831.610.39
Glycodeoxycholic acidME8362031.620.38
14(S)-HDHAME8360811.590.41
N-MethyTrans-4-Hydroxy-ProlineME8365551.590.41
MG(20:4/0:0/0:0)ME8364731.550.45
(±)12-HETEME8360761.560.44
1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphateME8368451.560.44
15-Hydroxy-5,8,11,13-eicosatetraenoic acidME8364221.570.43
FFA(20:5)ME8362571.570.43
TXB2ME8360341.450.55
1-Palmitoleoyl-2-palmitoyl-sn-glycerolME8368141.450.55
beta-Muricholic acidME8362021.450.55
cyclo(pro-pro)ME8366501.420.58
GuanineME8360501.430.57
16-Glucuronide-estriolME8367821.430.57
5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-oneME8370031.430.57
N-Docosa-4,7,10,13,16,19-hexaenoylglycineME8368831.490.51
1-Vaccenoyl-2-oleoyl-sn-glycero-3-phosphateME8368441.470.53
4-Acetylaminobenzoic acidME8362271.480.52
Androsterone sulfateME8361801.480.52
Folinic acidME8369481.520.48
N-cis-Hexadec-9Z-enoyl-L-homoserine lactoneME8368941.520.48
17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic AcidME8371811.500.50
Hippuric AcidME8363491.500.50
MG(0:0/20:4/0:0)ME8366961.510.49
(±)19(20)-EpDPE(A)ME8361511.510.49
9beta-Pimara-7,15-dien-19-oic acidME8370431.510.49
Tyr-HisME8366780.931.07
Tridihexethyl bromideME8371570.931.07
Succinic AcidME8363300.931.07
Ser-LeuME8365470.931.07
N-Methyl-α-aminoisobutyric acidME8364290.931.07
N-Acetyl-O-demethylpuromycin-5^-phosphateME8371320.931.07
N-AcetylcysteineME8362890.931.07
N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamideME8369510.931.07
MeestrolME8365930.931.07
LPE(0:0/22:4)ME8361210.931.07
Ile-GlnME8366330.931.07
Glutathione ReducedformME8360060.931.07
cyclo(gly-glu)ME8362150.931.07
Cyclo(Ala-Pro)ME8366430.931.07
Carnitine C18:3-OHME8364600.931.07
Aleuritic AcidME8361640.931.07
Adenosine 5^-MonophosphateME8360180.931.07
2,6-Diamino-5-hydroxyhexanoic acidME8365220.931.07
2-Hydroxycinnamic acidME8363680.931.07
Tyr-Tyr-AsnME8371660.941.06
Tyr-GluME8366360.941.06
tetranor-PGFMME8361460.941.06
PtdIns-(4)-P1 (1,2-dihexanoyl)ME8367740.941.06
ProlylthreonineME8369010.941.06
Phe-IleME8366730.941.06
OxadiazonME8367610.941.06
L-Arginine, N2-[(1R)-1-carboxyethyl]-ME8371740.941.06
Imidazoleacetic acidME8363640.941.06
HypoxanthineME8363200.941.06
Guanosine-3^-monophosphateME8370910.941.06
Gly-Val-ArgME8368860.941.06
Gly-LeuME8362900.941.06
GluconasturtiinME8369290.941.06
DL-CarnitineME8363710.941.06
CyperotundoneME8365380.941.06
Ala-HisME8366640.941.06
3,7,11,15,23-Pentaoxolanost-8-en-26-oic acidME8367920.941.06
7H-Purin-8-olME8369550.941.06
RamiprilME8369020.951.05
Pro-SerME8366120.951.05
PhosphocholineME8363960.951.05
PhenylbutyrylglutamineME8368970.951.05
N-Acetyl-L-methionineME8366000.951.05
MedroxyprogesteroneME8365290.951.05
Lecanoric acidME8370120.951.05
Hydroxyphenyllactic acidME8360600.951.05
Gly-Arg-Val-Arg-LeuME8370860.951.05
EthylazineME8364170.951.05
Deoxyguanosine 5^-monophosphate(dGMP)ME8360670.951.05
AmarogentinME8367270.951.05
AlternariaME8366310.951.05
9-oxoODEME8360830.951.05
9,10-dihydroxystearic acidME8361990.951.05
8-Hydroxy-2-DeoxyguanosineME8363570.951.05
6-MethylnicotinamideME8363870.951.05
[(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamateME8371900.951.05
2-HydroxyadenosineME8365600.951.05
1-MethylhistidineME8363050.951.05
11-Carbonyl-beta-acetyl-boswellic acidME8365870.951.05
1,6-di-O-phosphono-D-fructoseME8360540.951.05
Val-GluME8366370.961.04
Tyr-TyrME8366460.961.04
Trp-AsnME8362210.961.04
Piperonylic acidME8361880.961.04
PentostatinME8369830.961.04
O-Phospho-L-SerineME8360100.961.04
Octyl-Beta-D-GlucopyranosideME8368420.961.04
Nα-Acetyl-L-ArginineME8362910.961.04
Met-Val-His-Leu-ThrME8371300.961.04
Lys-ProME8366020.961.04
Inositol 1,3,4-trisphosphateME8365970.961.04
His-SerME8361840.961.04
Glycerophospho-N-Palmitoyl EthanolamineME8368230.961.04
Ginkgolide BME8359980.961.04
Cys-GlyME8363630.961.04
CycloheximideME8369630.961.04
CreatineME8364040.961.04
BiotinME8363040.961.04
Arg-Ile-AlaME8370510.961.04
AlibendolME8359820.961.04
7,8-Dimethyl-10-(2^-acetoxyethyl)isoalloxazineME8369520.961.04
4-AminomethylpyrimidineME8366130.961.04
3-DehydroshikimateME8360910.961.04
20-Hydroxy Prostaglandin F2αME8361970.961.04
1-phosphatidyl-1D-myo-inositol 3-phosphateME8369170.961.04
20,26-dihydroxyecdysoneME8364410.961.04
RutamarinME8370150.901.10
Pyridoxamine phosphateME8369850.901.10
Prostaglandin B1ME8361950.901.10
N-MyristoylglycineME8362000.901.10
N-Acetylglucosamine 1-PhosphateME8360560.901.10
MetaxaloneME8367540.901.10
MetanephrineME8363290.901.10
LPE(0:0/22:5)ME8361230.901.10
L-GuloseME8369260.901.10
Isopentenyl pyrophosphateME8368250.901.10
IsocytosineME8364860.901.10
Asp-GlyME8362060.901.10
AdenineME8363120.901.10
5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-oneME8370020.901.10
(±)4-HDHAME8360770.901.10
3^-O-MethylguanosineME8368640.901.10
3^-O-MethyladenosineME8368630.901.10
3-aminobenzamideME8366400.901.10
3-Hydroxy-3-Methyl Butyric AcidME8360240.901.10
Tyr-SerME8366300.891.11
Tyr-Asp-SerME8371630.891.11
Ser-IleME8365560.891.11
RibosyladenosineME8365630.891.11
Pro-ArgME8366050.891.11
p-Cresol glucuronideME8362450.891.11
N-acetyl-beta-alanineME8360870.891.11
N1,N8-diacetylspermidineME8365300.891.11
MupirocinME8368410.891.11
MannitolME8363310.891.11
Argininosuccinic acidME8360550.891.11
Deoxyuridine-5^-diphosphateME8368670.891.11
Trp-GluME8364060.911.09
ThiamineME8363700.911.09
ScopoletinME8371890.911.09
Phe-ValME8364900.911.09
P-Coumaric AcidME8362980.911.09
N6-(4-hydroxybenzyl)adenineME8365610.911.09
LubiprostoneME8368300.911.09
JWH 309ME8371080.911.09
Guanidinoethyl SulfonateME8363480.911.09
FosfestrolME8370740.911.09
FFA(15:0)ME8362580.911.09
Codeine-6-glucuronideME8367080.911.09
BicineME8365360.911.09
Asp-ArgME8366220.911.09
Asn-GluME8362040.911.09
AncitabineME8365760.911.09
Aminomalonic AcidME8360520.911.09
Ala-PheME8365240.911.09
Acid yellow 3ME8371410.911.09
7-Epi-cylindrospermopsinME8369640.911.09
3-pyridine-aldoximeME8366420.911.09
2-Amino-3-phosphonopropionic acidME8365960.911.09
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanolME8367660.911.09
(±)11(12)-DiHETME8361490.911.09
2^,3^-Cyclic GMPME8371730.911.09
Tetranor-12(R)-HETEME8360980.921.08
S-(Methyl)glutathioneME8365640.921.08
Ser-ProME8366200.921.08
SDMAME8364820.921.08
N(6)-(dimethylallyl)adenosine 5^-diphosphateME8371050.921.08
Met-Cys-TyrME8371280.921.08
Lys-IleME8366230.921.08
Leu-Lys-His-GluME8371150.921.08
Leu-Leu-CysME8371130.921.08
HypotaurocyamineME8364320.921.08
Hydroxypiperazic acidME8361820.921.08
His-Ile-PheME8370940.921.08
EnalaprilME8368840.921.08
DL-2-Methylglutamic acidME8365740.921.08
Carnitine C16-OHME8365040.921.08
Barbituric acidME8363840.921.08
AllopurinolME8364180.921.08
2,2,6,6-Tetramethyl-4-piperidinoneME8369390.921.08
ActaritME8367140.921.08
Sucrose 6′-monophosphateME8361710.881.12
(S)-Mevalonic acid-5-pyrophosphateME8369150.881.12
(S)-(E)-2^-(3,6-Dimethyl-2-heptenyl)-3^,4^,7-trihydroxyflavanoneME8369940.881.12
PyridoxineME8363330.881.12
Phe-AspME8366160.881.12
Met-PheME8366760.881.12
Hexanoyl GlycineME8360070.881.12
Guanosine 3^,5^-Cyclic MonophosphateME8363180.881.12
Glu-Asp-Arg-ArgME8370790.881.12
delta-TocotrienolME8368130.881.12
Asn-AspME8362050.881.12
AmmelideME8366880.881.12
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acidME8371780.881.12
3-(6-Amino-9h-purin-9-yl)propanoic acidME8369420.881.12
2-(α-D-mannosyl)-3-phosphate glycerideME8361160.881.12
2-PyrrolidinoneME8363760.881.12
15-Oxo-beta-bilirubinME8370240.881.12
1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitolME8369540.881.12
Tyr-LeuME8365490.871.13
Trp-Tyr-TyrME8371600.871.13
trichostatin AME8369340.871.13
Terephthalic AcidME8360120.871.13
Inositol 1-phosphateME8362310.871.13
Dehydroascorbic acidME8365750.871.13
Cytidine 5^-monophosphate-N-acetylneuraminic acid(CMP-NANA)ME8361650.871.13
Cytidine 2^,3^-Cyclic Monophosphoric AcidME8361760.871.13
Asp-GluME8366710.871.13
Arg-Glu-Asp-ArgME8370500.871.13
ArainosineME8363590.871.13
5-O-(1-carboxyvinyl)-3-phosphateME8361150.871.13
9S,11R-dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R]ME8368010.871.13
Thr-Arg-GluME8371540.861.14
Raphanusamic acidME8366620.861.14
N,N-DimethylarginineME8365080.861.14
Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoateME8362460.861.14
His-ProME8366150.861.14
Asp-TyrME8365410.861.14
2,4-Dihydroxy Benzoic AcidME8360530.861.14
2-Hydroxy-2-methylbutanenitrileME8365500.861.14
Xanthosine-5^-monophosphateME8361720.851.15
Taurolithocholic acidME8361430.851.15
Pro-AsnME8366650.851.15
N^-FormylkynurenineME8363520.851.15
Gly-ProME8362800.851.15
Ethyl hydrogen malonateME8365920.851.15
CytosineME8363170.851.15
3-CarboxypropyltrimethylammoniumME8364230.851.15
CafamarineME8369590.851.15
Undecanedioic acidME8360730.991.01
TelmisartanME8367630.991.01
TaurineME8360230.991.01
Sn-Glycero-3-PhosphocholineME8363650.991.01
SinigrinME8369330.991.01
Pyrimidine-4-carboxylic acidME8362170.991.01
PurineME8363220.991.01
PregnenoloneME8368520.991.01
PregnanoloneME8371930.991.01
PravastatinME8368990.991.01
N-PalmitoylglycineME8361420.991.01
N,N-diacetyl-O-methylhydroxylamineME8364100.991.01
NeopterinME8360440.991.01
MethylguanidineME8364840.991.01
MepiprazoleME8369750.991.01
L-PhenylalanineME8362740.991.01
L-2-amino-6-oximelic acidME8361130.991.01
Imidazole-4-methanolME8366580.991.01
Homovanillic Acid sulfate (sodium salt)ME8362250.991.01
His-TyrME8366790.991.01
Gly-GluME8362350.991.01
FenhexamidME8367420.991.01
D-phenylalanineME8359840.991.01
Dodecanedioic AcidME8360270.991.01
CortisolME8363980.991.01
cis-Zeatin-O-glucosideME8368110.991.01
ChlordiazepoxideME8367320.991.01
CanrenoneME8368080.991.01
BesifovirME8359830.991.01
8-iso Prostaglandin E1ME8361960.991.01
7-Amino-4-methylcoumarinME8366810.991.01
5^-Deoxy-5^-fluoroadenosineME8364330.991.01
4-Hydroxyretinoic AcidME8363600.991.01
4-Hydroxy-3-methoxybenzaldehydeME8360160.991.01
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-oneME8369180.991.01
3-Hydroxyvalproic acidME8362300.991.01
3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl esterME8367650.991.01
3-(3,4,5-trimethoxyphenyl)propionic acidME8365850.991.01
[(2R,3S,4R,5R)-5-[5-amino-4-[(4-amino-4-oxo-butanoyl)amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphateME8370210.991.01
2-PropanoylthiazoleME8369190.991.01
2-Phenylbutyric acidME8361590.991.01
2-MercaptobenzothiazoleME8364400.991.01
2-(Formylamino)Benzoic AcidME8363530.991.01
2-AminomethylpyrimidineME8364210.991.01
2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrolME8369980.991.01
1,5-Dihydro-5-methyl-1-beta-D-ribofuranosyl-1,2,5,6,8-pentaazaacenaphthylen-3-amineME8369350.991.01
(1R,6S)-6-amino-5-oxocyclohexyl-2-ene-1-carboxylic-acid-esterME8364340.991.01
SubericacidME8360330.981.02
(R)-(-)-1-Amino-2-propanolME8366100.981.02
PhenylalanylcysteineME8368960.981.02
N-PropionylglycineME8360090.981.02
NootkatoneME8365390.981.02
Methyl caffeateME8366820.981.02
MethabenzthiazuronME8369770.981.02
Lys-SerME8366030.981.02
Lys-AsnME8366700.981.02
LucidinME8367510.981.02
LPC(18:0/0:0)ME8364540.981.02
LidocaineME8367490.981.02
Lauroyl diethanolamideME8368270.981.02
Ile-Thr-His-AspME8371030.981.02
Gly-HisME8365450.981.02
EvocarpineME8371920.981.02
Ethyl-dodecanoateME8363800.981.02
Cyclic di-AMPME8361830.981.02
CortisoneME8366990.981.02
ClofarabineME8368660.981.02
Carnitine C5:DCME8364660.981.02
AcetylvalineME8361630.981.02
9-FluorenolME8364120.981.02
3-Hydroxy-L-phenylalanineME8362330.981.02
2-Undecyl-thiazolidine-4-carboxylic acidME8368710.981.02
2-Methyl-1-PyrrolineME8365650.981.02
2^-Deoxycytidine-5^-MonophosphateME8360490.981.02
2-(4-hydroxyphenyl) propionateME8361110.981.02
11-HEDEME8361500.981.02
2,4-DihydroxypteridineME8363970.981.02
Traumatic acidME8368590.971.03
SPH(d18:0)ME8363910.971.03
Pyrazine-2-carboxylic acidME8362320.971.03
Pro-GlyME8361690.971.03
Phe-SerME8366660.971.03
Phe-PheME8362920.971.03
PhenethylamineME8365800.971.03
Phe-HypME8366720.971.03
NitrendipineME8369810.971.03
N-AcetylcadaverineME8364300.971.03
Leu-MetME8366490.971.03
EthylsalicylateME8360720.971.03
DimethylpropiothetinME8371420.971.03
Dimethyl phthalateME8367360.971.03
Cytidine-5-MonophosphateME8363160.971.03
CCT-018159ME8365990.971.03
BiliverdinME8364090.971.03
Arg-Val-SerME8370570.971.03
6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidME8370060.971.03
(3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acidME8369110.971.03
2-HydroxyfluoreneME8367180.971.03
2^-Deoxyinosine-5^-monophosphateME8365570.971.03
2-Hydroxy-4-(methylthio)butyric acidME8367070.971.03
γ-Glu-MetME8362371.001.00
Val-trpME8371701.001.00
Triphenylphosphine oxideME8367641.001.00
Pro-MetME8366381.001.00
Phe-Cys-LeuME8371341.001.00
P-chlorophenylalanineME8361031.001.00
N-Amidino-L-AspartateME8360931.001.00
N-AcetylthreonineME8360471.001.00
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamideME8367561.001.00
Met-ValME8362191.001.00
Met-MetME8371311.001.00
Lys-ValME8366071.001.00
LPA(16:0/0:0)ME8361731.001.00
LPA(0:0/18:0)ME8360391.001.00
LomefloxacinME8369731.001.00
Leu-ValME8364871.001.00
Indole 3-carbinolME8360621.001.00
Ile-IleME8366521.001.00
HydroxychlorME8370221.001.00
His-Val-Thr-Glu-GluME8370971.001.00
His-Ala-Val-AspME8370921.001.00
Gly-ValME8364131.001.00
GemfibrozilME8361811.001.00
FFA(16:2)ME8361571.001.00
D-OrnithineME8365721.001.00
Cyclic AmpME8363541.001.00
CaprolactamME8365901.001.00
BenzaldehydeME8364081.001.00
Asn-Arg-Phe-LysME8370581.001.00
Arg-Leu-AlaME8370521.001.00
4-Oxoretinoic acidME8367041.001.00
4-Nitrobenzoic acidME8362391.001.00
3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acidME8368601.001.00
3-(2-Hydroxyphenyl)propanoic acidME8361851.001.00
2^-O-methyladenosineME8364141.001.00
2-Naphthoic acidME8361901.001.00
2-HydroxyethanesulfonateME8361681.001.00
2^-DeoxyadenosineME8366411.001.00
2,3-dinor-8-iso Prostaglandin F2αME8361451.001.00
2,2-DiphenylglycineME8367281.001.00
1-Heptadecene-4,6-diyne-3,9-diolME8367861.001.00
1,3-DicyclohexylureaME8364361.001.00
10-Hydroxystearic AcidME8362401.001.00
11-keto-TXB2ME8361521.001.00
γ-Glu-LysME8366091.010.99
TyramineME8362951.010.99
Tris(2-butoxyethyl) phosphateME8369091.010.99
SynephrineME8365351.010.99
Sorbitol 6-phosphateME8361531.010.99
Ser-PheME8365481.010.99
Selenophosphoric acidME8371721.010.99
S-(5-Adenosy)-L-HomocysteineME8362931.010.99
PyrocatecholME8363991.010.99
Nicotinic AcidME8363341.010.99
N-CyclohexylformamideME8363891.010.99
N-CinnamylglycineME8361391.010.99
N-acetylornithineME8360891.010.99
Morpholine ethanesulfonic acidME8362111.010.99
LysineME8362681.010.99
L-PhenylalaninolME8367171.010.99
L-Asparagine AnhydrousME8362811.010.99
Ile-Ser-Val-AspME8371021.010.99
GlyceraldehydeME8360011.010.99
Gly-Arg-SerME8370851.010.99
FFA(12:1)ME8367061.010.99
FenpiclonilME8369661.010.99
CurcuminME8360421.010.99
Cis-4-Hydroxy-L-ProlineME8364831.010.99
Carnitine C16:2-OHME8364921.010.99
AllantoinME8360051.010.99
9(S),12(S),13(S)-TriHOMEME8361471.010.99
9,10-DiHOMEME8360401.010.99
6-DimethylaminopurineME8363721.010.99
4-Fluoro-L-phenylalanineME8368751.010.99
2-PhenylpropanalME8367191.010.99
2,6-Di-tert-butyl-4-(hydroxymethyl)phenolME8361981.010.99
20-HydroxyecdysoneME8359971.010.99
1-NaphthylamineME8363861.010.99
1-Aminocyclohexanecarboxylic acidME8365731.010.99
13-oxoODEME8360801.010.99
1,2-Bis(4-hydroxyphenyl)-2-propanolME8370231.010.99
12S-HHTME8367801.010.99
α-Hydroxyglutaric Acid (sodium salt)ME8362161.030.97
Tetradecanedioic acidME8360681.030.97
Ser-Tyr-ArgME8369051.030.97
(R)-2-Hydroxy-3-phenylpropionic acidME8363881.030.97
Quinoline-4-carboxylic acidME8364811.030.97
QuinmeracME8366831.030.97
Proline betaineME8365341.030.97
PodofiloxME8367681.030.97
N-ethylene glycol neuraminic acidME8359871.030.97
N-Acetyl-Asp-GluME8360611.030.97
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamideME8367581.030.97
MethyldopaME8365141.030.97
Methyl dioxindole-3-acetateME8359931.030.97
Medroxyprogesterone acetateME8368381.030.97
Malic acidME8360661.030.97
L-TheanineME8362861.030.97
Leu-GlyME8364441.030.97
L-ArginineME8360031.030.97
Ile-Phe-Val-LysME8371011.030.97
D-QuinovoseME8370401.030.97
D-Glucosamine 6-PhosphateME8360901.030.97
Carnitine C4-OHME8367031.030.97
Carnitine C14:2:DCME8364961.030.97
CamylofinME8368801.030.97
CaldineME8365021.030.97
Bis(1-inositol)-3,1^-phosphate 1-phosphateME8361121.030.97
Asp-AspME8368791.030.97
Arg-Lys-His-ArgME8370531.030.97
AcrylamideME8365231.030.97
3-(pyrazol-1-yl)-L-alanineME8361171.030.97
2-MethoxyestradiolME8367911.030.97
2-Hydroxy-3-Methyl Butanoic AcidME8362231.030.97
1-Erucoylglycerol-3-phosphateME8368321.030.97
1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME8359921.030.97
1,4-Dihydro-1-Methyl-4-Oxo-3-PyridinecarboxamideME8362991.030.97
10-Hydroxy-2-decenoic acidME8371911.030.97
1-(11Z-eicosenoyl)-glycero-3-phosphateME8367751.030.97
Val-Phe-AlaME8362241.020.98
UridineME8360201.020.98
Uric acidME8360941.020.98
Trp-AspME8366481.020.98
Tetraethylene-glycolME8366471.020.98
TestosteroneME8366981.020.98
PyridoxalME8364021.020.98
PsychosineME8368541.020.98
Pro-Pro-Asp-Gln-GlnME8371391.020.98
PGK1ME8360861.020.98
O-Acetyl-L-homoserineME8366111.020.98
N-Alpha-Acetyl-L-AsparagineME8363951.020.98
N-AcetylaspartateME8362881.020.98
Met-GluME8364891.020.98
Lys-GlyME8362341.020.98
LPC(O-18:1)ME8365061.020.98
LPC(0:0/20:5)ME8364531.020.98
Indole-3-lactic acidME8360571.020.98
Indole-3-CarboxaldehydeME8363391.020.98
Hexaethylene-glycolME8365811.020.98
Heptethylene-glycolME8366531.020.98
GuanidineME8365271.020.98
Glutathione OxidizedME8362791.020.98
Glu-HisME8366061.020.98
EpinephrineME8363271.020.98
dTDP-N-hydroxy-beta-L-evernosamineME8370751.020.98
DL-phenylmercapto uric acidME8362291.020.98
DL-HomocysteineME8362651.020.98
CytidineME8363151.020.98
CycloleucineME8366611.020.98
Carnitine C2:0ME8363691.020.98
Carnitine C14:0ME8367051.020.98
C-12 NBD-dihydro-CeramideME8368161.020.98
BarbitalME8361791.020.98
6-Diazo-5-oxo-L-norleucineME8366011.020.98
5-MethylcytosineME8363091.020.98
5-HydroxyisourateME8362531.020.98
5-Hydroxy-2,8-dimethyl-6,7,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-oneME8369491.020.98
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridineME8370361.020.98
4-Hydroxyphenyl thiocyanateME8369911.020.98
4-Amino-3-hydroxybutyric acidME8366601.020.98
4,4^-DihydroxybenzophenoneME8361931.020.98
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenolME8367231.020.98
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylateME8369871.020.98
3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanoneME8369461.020.98
3-Methoxyphenylacetic acidME8364851.020.98
3-Indolebutyric AcidME8363371.020.98
1-Aminocyclopropanecarboxylic acidME8368721.020.98
3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diolME8365841.020.98
2,3-Diaminopropionic acidME8365701.150.95
(Z)-2-tetracos-15-enamidoethanesulfonic acidME8370201.060.94
Thr-Val-Leu-Thr-SerME8371561.060.94
Pro-leuME8369001.060.94
Piperidine acidME8363611.060.94
PinoresinolME8367671.060.94
Phe-HisME8366771.060.94
PAF C-18:1ME8366941.060.94
Nb-PalmitoyltryptamineME8369821.060.94
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamideME8371881.060.94
N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactoneME8368931.060.94
MethylarsonateME8369901.060.94
Maleic AcidME8363511.060.94
LPE(22:4/0:0)ME8361221.060.94
HydroxyureaME8365661.060.94
EstriolME8365781.060.94
D-KynurenineME8371851.060.94
DialdehydeME8370731.060.94
ConfertifolineME8359881.060.94
CholineME8363021.060.94
Carnitine C3:0ME8365091.060.94
5-MethyluridineME8363101.060.94
4-acetoxyphenolME8361011.060.94
4,5-Phenanthrenedicarboxylic acidME8367211.060.94
3,3^,4^5-TetrahydroxystilbeneME8359961.060.94
2-Deoxyribose-5^-phosphateME8361401.060.94
1-pyrroline-4-hydroxy-2-carboxylateME8361181.060.94
1-Methyl-hydantoinME8364791.060.94
1,2-Ethylenediphosphonic acidME8368731.060.94
1-deoxy-D-xylulose 5-phosphateME8369161.060.94
ZerumboneME8365401.070.93
Xanthosine 5^-(trihydrogen diphosphate)ME8371711.070.93
Testosterone sulfateME8361561.070.93
Pro-AspME8362361.070.93
Phe-Glu-Ile-ArgME8371351.070.93
N-lactoyl-phenylalanineME8360651.070.93
Methoxyindoleacetic AcidME8364201.070.93
Menadiol disulfateME8367521.070.93
Lys-Leu-His-GluME8371191.070.93
L-OrnithineME8362691.070.93
Ile-ValME8362201.070.93
Ile-Glu-Leu-LysME8370991.070.93
Gly-Gly-ThrME8370871.070.93
Flavin Adenine Dinucleotide(FAD)ME8360191.070.93
Dihydroconiferyl alcoholME8367351.070.93
CreatinineME8363451.070.93
Carnitine C7:1ME8364681.070.93
Carnitine C5:1ME8364711.070.93
BufalinME8368061.070.93
BeraprostME8362501.070.93
Allopregnane-3alpha,20alpha-diolME8368031.070.93
Adipic AcidME8360251.070.93
7,8-dihydro-L-BiopterinME8363751.070.93
5,6-DimethylbenzimidazoleME8360961.070.93
5,12,14-trihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl acetateME8370011.070.93
3-Amino-2-naphthoic acidME8364371.070.93
3,7-Dihydroxy-12-oxocholanoic acidME8367931.070.93
[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acidME8369361.070.93
(2S,3S)-butane-2,3-diolME8364751.070.93
2-Hexyldecanoic acidME8361911.070.93
2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acidME8370301.070.93
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholineME8368331.070.93
1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)ureaME8369801.070.93
Tridecanedioic acidME8361411.040.96
Tetramethylthiuram disulfideME8365681.040.96
Ser-ValME8366261.040.96
PyrrolidineME8363851.040.96
PyrimidineME8363231.040.96
PseudotropineME8365891.040.96
PGE1ME8360841.040.96
OxypurinolME8364151.040.96
L-PhenylephrineME8364801.040.96
LPE(14:0/0:0)ME8360381.040.96
LPE(0:0/14:0)ME8362561.040.96
L-kynurenineME8363501.040.96
L-DeoxyalliinME8369041.040.96
Lactic acidME8360291.040.96
Gibberellin A12ME8368221.040.96
Galacturonic acidME8361661.040.96
EnterodiolME8360151.040.96
EctoineME8366251.040.96
DL-O-tyrosineME8361921.040.96
Cytidine 5^-diphosphateME8365261.040.96
CyromazineME8365251.040.96
ButylamineME8363821.040.96
BiotinamideME8364311.040.96
BilirubinME8369581.040.96
Arg-Phe-Val-AspME8362421.040.96
alpha-AsaroneME8365371.040.96
AdenosineME8363131.040.96
9,10-Epoxy-18-hydroxyoctadecanoic acidME8362511.040.96
8-Demethyl-8-(dimethylamino)riboflavinME8369861.040.96
7-(alpha-D-glucosyl)-N(6)-isopentenyladenineME8365621.040.96
4-HydroxybenzaldehydeME8360431.040.96
4,5-Dihydroxynaphthalene-2,7-disulfonic acidME8367201.040.96
3-Hydroxydodecanoic acidME8368741.040.96
3-Hydroxy-3-methyloxindoleME8369451.040.96
2-Hydroxycaprylic acidME8361361.040.96
(20S)-17,20-dihydroxypregn-4-en-3-oneME8367701.040.96
1-O-Hexadecyl-sn-glycero-3-phosphocholineME8367881.040.96
19-hydroxy-17-oxoandrost-5-en-3-yl sulfateME8370281.040.96
19-ChloroproansamitocinME8370271.040.96
11-DehydrocorticosteroneME8365011.040.96
17α-Hydroxy-PregnenoloneME8365161.040.96
Val-HypME8362131.050.95
Tranexamic acidME8369081.050.95
TetracyclineME8370171.050.95
SebacateME8360311.050.95
schisandrin CME8371431.050.95
PrunasinME8359941.050.95
PhosphiteME8371791.050.95
Pantothenic acidME8360221.050.95
O-Succinyl-L-HomoserineME8363931.050.95
N^-Methyl-2-pyridone-5-carboxamideME8364781.050.95
N-AcetylhistamineME8362971.050.95
Methyl Indole-3-AcetateME8363401.050.95
Lys-MetME8366281.050.95
Losartan CarboxaldehydeME8367501.050.95
L-CitrullineME8362701.050.95
IndoleME8363661.050.95
His-Asn-IleME8370931.050.95
Glycochenodeoxycholic acid 7-sulfateME8362471.050.95
Glu-MetME8364881.050.95
Glu-Asp-Lys-GluME8370801.050.95
gamma-Glu-AlaME8360041.050.95
(E,Z)-2-Amino-3,14-octadecadien-1-olME8359901.050.95
Diethyl-2-methyl-3-oxosuccinateME8364771.050.95
Carnitine C18:1-OHME8364951.050.95
5,6-DihydrouridineME8361611.050.95
3-AminoquinolineME8365831.050.95
2-PhenylglycineME8365201.050.95
2-HydroxyquinolineME8369401.050.95
2-hydroxyphenylacetic acidME8361371.050.95
2-Amino-4-methylphenolME8365941.050.95
1-methylhistamineME8364241.050.95
2,5-Dihydroxycinnamic acidME8369931.050.95
Tyr-ThrME8366551.110.89
Tfa-VAL-TYR-VAL-OHME8369071.110.89
Terpendole EME8371511.110.89
SalicylaldehydeME8364071.110.89
RiboflavinME8363351.110.89
Phe-Ser-TrpME8371371.110.89
N-FormylglycineME8365691.110.89
LPS(18:3)ME8361201.110.89
LPE(22:3/0:0)ME8362631.110.89
KanamycinME8369251.110.89
Ile-Asp-Phe-ArgME8370981.110.89
Glycerophospho-N-Arachidonoyl EthanolamineME8361551.110.89
(E)-GuggulsteroneME8365151.110.89
Dynemicin AME8370761.110.89
CAY10577ME8365981.110.89
Carnitine C4:DCME8364701.110.89
BuprenorphineME8367301.110.89
5-Aminovaleric AcidME8363441.110.89
3-Amino-2-piperidinoneME8365211.110.89
(2r)-2,3-Dihydroxypropyl DodecanoateME8368401.110.89
2^-hydroxy-4,4^,6^-trimethoxychalconeME8365861.110.89
2-Amino-2-methyl-1,3-propanediolME8366591.110.89
2-AminoadenosineME8366741.110.89
Taxifolin 3-O-acetateME8371501.120.88
NorcyclobenzaprineME8367341.120.88
N(6),N(6)-Dimethyl-L-lysineME8366041.120.88
Malonic acidME8360301.120.88
Lys-Ala-Leu-GluME8371181.120.88
LPE(20:5/0:0)ME8361311.120.88
LPE(20:1/0:0)ME8362611.120.88
LPE(18:1/0:0)ME8360351.120.88
LPE(0:0/16:1)ME8361351.120.88
L-CysteineME8362821.120.88
JasmoneME8365281.120.88
HypericinME8367471.120.88
His-Val-Ile-ArgME8370961.120.88
His-GluME8368881.120.88
gamma-Glu-PheME8367011.120.88
ErgocornineME8367101.120.88
Cysteine-glutathione disulfideME8360881.120.88
Carnitine C20:1-OHME8364581.120.88
Azelaic AcidME8360261.120.88
Avermectin A1b monosaccharideME8370681.120.88
6-(5-ethenyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidME8369221.120.88
5,5^-DehydrodivanillateME8367261.120.88
3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronideME8367941.120.88
3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-olME8368621.120.88
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] 19-methylicosanoateME8368471.120.88
2-Heptyl-4-hydroxyquinoline n-oxideME8362411.120.88
2-(Acetylamino)-2-deoxy-A-D-glucopyranoseME8366631.120.88
11beta-HydroxyprogesteroneME8365881.120.88
14,15-DiHETrEME8367811.120.88
Ser-Val-Lys-ArgME8371491.130.87
Retinol acetateME8368551.130.87
Palmitoleoyl EthanolamideME8369141.130.87
O-Acetyl-L-serineME8360691.130.87
N-Oleoyl-L-SerineME8371801.130.87
NelarabineME8368681.130.87
N-Acetyl-5-Aminosalicylic AcidME8361781.130.87
N4-AcetylcytidineME8365311.130.87
LPE(22:6/0:0)ME8361251.130.87
LPC(0:0/22:6)ME8366951.130.87
Gly-Gly-PheME8365111.130.87
Glu-LeuME8365431.130.87
Fluphenazine enanthateME8370771.130.87
Fludarabine phosphateME8359801.130.87
Desferal-iron(III)ME8368211.130.87
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dioneME8370251.130.87
17-EpistriolME8365951.130.87
Zoledronic acidME8369121.080.92
XanthineME8360171.080.92
TrigonellineME8363361.080.92
TriethanolamineME8366081.080.92
Threonic acidME8359951.080.92
Tetrahydrogeranylgeranyl diphosphateME8371531.080.92
PyributicarbME8367621.080.92
protoporphyrin IXME8369841.080.92
PC(O-1:0/O-16:0)ME8366971.080.92
oleoyl-L-carnitineME8368431.080.92
N-Methyl-L-GlutamateME8360921.080.92
N(Alpha)-Acetyl-Epsilon-(2-Propenal)LysineME8365521.080.92
N-(3-Hydroxypropyl)phthalimideME8365821.080.92
Multinoside AME8359861.080.92
MethacholineME8369131.080.92
L-selenomethionineME8368901.080.92
LPE(18:0/0:0)ME8360361.080.92
LPC(O-16:0)ME8365051.080.92
L-Glutamic AcidME8362711.080.92
Leu-Gly-Asp-Val-IleME8371121.080.92
Indole-3-acetamideME8363731.080.92
FFA(18:0)ME8362591.080.92
Dihydrocaffeic acidME8361861.080.92
Cytochalasin BME8367091.080.92
Cytidine 5^-DiphosphocholineME8363941.080.92
Carnitine C6:0ME8364431.080.92
Carnitine C16:2 Isomer1ME8364941.080.92
Carnitine C14:2 Isomer 1ME8364931.080.92
Arsanilic acidME8367241.080.92
Ala-Thr-Tyr-LysME8370481.080.92
7alpha-Hydroxy-3-oxo-4-cholestenoic acidME8367981.080.92
5-Aminoimidazole ribonucleotideME8369211.080.92
4-Nitrophenyl phosphateME8368761.080.92
3-MethoxytyramineME8364011.080.92
3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneME8370001.080.92
2,2^-DipyridylamineME8369791.080.92
(20S)-ProtopanaxadiolME8370181.080.92
17-phenyl trinor PGF2 cyclohexyl amideME8370261.080.92
1-Octadecyl Lysophosphatidic AcidME8367891.080.92
Val-ThrME8362091.090.91
Tyr-Gln-Ile-ArgME8371641.090.91
Trp-Leu-MetME8371591.090.91
Triethyl-phosphateME8363741.090.91
Thr-Glu-Leu-LysME8371551.090.91
Ribonic AcidME8362071.090.91
Phe-Thr-ThrME8371381.090.91
NitazoxanideME8367601.090.91
N-Isopropylterephthalamic acidME8367221.090.91
N-acetylpyrrolidineME8364351.090.91
N-Acetylaminooctanoic acidME8362481.090.91
LPC(0:0/15:0)ME8365131.090.91
L-OctanoylcarnitineME8368291.090.91
L-HomoarginineME8363581.090.91
Leukotriene D4 methyl esterME8368891.090.91
Leu-Asp-His-ArgME8371101.090.91
Iminodiacetic acidME8360991.090.91
Ile-His-Asn-GluME8371001.090.91
HistidineME8362721.090.91
GymnodimineME8369701.090.91
Gly-Ala-Asn-Phe-GluME8370841.090.91
Ergosta-5,7,22,24(28)-tetraen-3beta-olME8371751.090.91
Cyclo(Pro-Glu)ME8365531.090.91
Carnitine C18:0ME8364611.090.91
Carmamycin BME8370711.090.91
Asn-Glu-Thr-GluME8370591.090.91
alpha-MangostinME8369571.090.91
6-deoxy-6-sulfo-D-fructofuranose 1-phosphateME8370391.090.91
5-OxoprolineME8362771.090.91
5-Hydroxy-L-TryptophanME8362761.090.91
3-MethyluridineME8361601.090.91
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfateME8360581.090.91
3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphateME8367871.090.91
3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamideME8367291.090.91
2-Hexadecanoylthio-1-ethylphosphorylcholineME8366921.090.91
2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoateME8369501.090.91
1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphateME8368461.090.91
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineME8368531.090.91
VidarabineME8369881.100.90
Val-Leu-Ser-Pro-AlaME8371691.100.90
Val-AlaME8361671.100.90
PutrescineME8363031.100.90
PterineME8363771.100.90
Prostaglandin E2ME8360851.100.90
N6,N6,N6-Trimethyl-L-lysineME8365071.100.90
Lys-Phe-Leu-GluME8371201.100.90
LPE(20:2/0:0)ME8361271.100.90
L-HomocitrullineME8362851.100.90
HeterodendrinME8364381.100.90
Glycyl-H 1152 dihydrochlorideME8368871.100.90
Glu-ValME8361771.100.90
FFA(20:4)ME8361041.100.90
ErgosineME8367121.100.90
DL-Aminopimelic acidME8365421.100.90
DiacereinME8359811.100.90
D-ErythronolactoneME8360211.100.90
cyclo(glu-glu)ME8362181.100.90
Curcumin IIME8367331.100.90
Carnitine C9:1ME8364911.100.90
Carnitine C8:0ME8364651.100.90
Carnitine C18:2ME8364631.100.90
Carnitine C18:1ME8364621.100.90
Calcium pantothenateME8370701.100.90
5,8-Epoxy-5,8-dihydro-10^-apo-b,y-carotene-3,10^-diolME8367951.100.90
3-phospho-D-glyceroyl dihydrogen phosphateME8370331.100.90
1-Hexadecyl-sn-glycerol 3-phosphateME8371821.100.90
3-Hydroxy-3-methyl-2-oxobutanoic acidME8370321.100.90
2-methyl citric acidME8362141.430.86
Lucidone BME8368311.350.65
gomisin NME8370901.350.65
9alpha-Chlorocortisol acetateME8370441.350.65
8-GeranylumbelliferoneME8368001.350.65
8-DesoxygartaninME8371941.350.65
12-DehydroporsonME8369971.350.65
3-[1-[3-(Dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dioneME8369441.350.65
UDP-N-Acetylmuramic AcidME8371671.340.66
PalmitoylethanolamideME8360021.340.66
LinoleylethanolamideME8364251.340.66
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochlorideME8369201.340.66
CapivasertibME8368771.340.66
6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3^,4^:4,5]furo[2,3-f][1]benzopyran-3-oneME8370071.340.66
AsperageninME8368041.340.66
SophoraflavonolosideME8370111.380.62
s-HexylglutathioneME8369061.380.62
Gly-Tyr-CysME8370891.380.62
9,10-EpOMEME8360821.380.62
cis-EODAME8361001.380.62
FexofenadineME8367431.370.63
(±)9-HETEME8360781.370.63
CyclooctatinME8371771.370.63
DaptME8368851.410.59
TacalcitolME8367771.400.60
TheophyllineME8367691.400.60
Β-PseudouridineME8360461.170.83
Terpendole GME8371521.170.83
Propofol GlucuronideME8369311.170.83
Phe-Asp-Ile-GluME8371331.170.83
N6-(2-Hydroxyethyl)adenosineME8365581.170.83
LPE(0:0/20:4)ME8359891.170.83
LPE(0:0/18:0)ME8361321.170.83
LPC(22:3)ME8366931.170.83
LPC(20:4/0:0)ME8364521.170.83
LPC(18:2/0:0)ME8364561.170.83
L-GlycineME8362661.170.83
Leu-Leu-Ser-Pro-TyrME8371141.170.83
Leu-Ala-Pro-Leu-GluME8371091.170.83
Kynurenic AcidME8360281.170.83
CiprosteneME8368101.170.83
Carnitine C12:0ME8364161.170.83
7alpha-Hydroxy-4-cholesten-3-oneME8367991.170.83
[6]-Gingerdiol 3,5-diacetateME8367721.170.83
2-O-MethylcytosineME8365181.170.83
2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanoneME8369411.170.83
2,2-Dihydroxymethyl-1-azabicyclo[2.2.2]octan-3-oneME8365911.170.83
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphateME8367761.170.83
21-HydroxypregnenoloneME8362541.170.83
OctadecadienamideME8364721.190.81
N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamideME8367591.190.81
LPS(20:0)ME8362641.190.81
Leu-Tyr-Lys-GluME8371161.190.81
Guanosine-5^-monophosphateME8363191.190.81
Glu-TyrME8365441.190.81
Erythrinasinate AME8370101.190.81
7,8,4^-TrihydroxyisoflavoneME8361941.190.81
6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-oneME8369611.190.81
1400W dihydrochlorideME8367551.190.81
2-Dodecyl-3-methylbutanedioic acidME8368561.190.81
Tyr-Arg-Ile-GluME8371621.180.82
Taurocholic acidME8360131.180.82
Sulfoglycolithocholate(2-)ME8368571.180.82
PC(12:0/12:0)ME8364191.180.82
L-tyrosine methyl ester 4-sulfateME8361091.180.82
LPE(22:5/0:0)ME8361241.180.82
HydroxyprogesteroneME8365001.180.82
Gly-Tyr-Asn-Ser-TyrME8370881.180.82
Glu-Val-Phe-GluME8370831.180.82
Carnitine C7:1 Isomer1ME8364671.180.82
Ala-Asp-Ser-GluME8370471.180.82
9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acidME8367781.180.82
(1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diolME8370291.180.82
3-Hydroxy-4-methoxybenzoic acidME8361891.180.82
UreaME8362961.140.86
UracilME8363251.140.86
Ser-Gly-Ala-Asn-LysME8371441.140.86
Pirinixic acidME8369921.140.86
Phenyl beta-D-glucopyranosideME8369301.140.86
NordihydrocapsiateME8359911.140.86
LPE(0:0/16:0)ME8361341.140.86
JWH 250 N-(5-carboxyxypentyl) metaboliteME8371071.140.86
Glu-Tyr-Ile-GluME8370821.140.86
Garcinone DME8369691.140.86
DubinidineME8369381.140.86
Carnitine C20:1 Isomer 1ME8364971.140.86
Carnitine C20:1ME8364591.140.86
brefeldin AME8370091.140.86
Bardoxolone methylME8369271.140.86
Asn-Thr-Asp-ArgME8370641.140.86
Asn-Leu-Pro-Ala-LysME8370621.140.86
ArenobufaginME8370491.140.86
ActaraME8369561.140.86
7-MethylxanthineME8363111.140.86
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamineME8367851.140.86
2-Methylglutaric AcidME8361381.140.86
XanthosineME8365771.150.85
RopivacaineME8369031.150.85
Phe-TyrME8366511.150.85
Phenethyl rutinosideME8369281.150.85
Phe-Glu-Val-GluME8371361.150.85
N1-AcetylspermidineME8366241.150.85
Met-Phe-Thr-Glu-AspME8371291.150.85
LPE(20:4/0:0)ME8361301.150.85
LPE(0:0/20:3)ME8361281.150.85
L-CystineME8362671.150.85
Guanidineacetic AcidME8363471.150.85
GliclazideME8367441.150.85
ErgocristineME8367111.150.85
Carnitine ph-C1ME8364691.150.85
7-MethylguanineME8360951.150.85
5-oxoETEME8360711.150.85
3-BromotyrosineME8366871.150.85
2-Chloro-5-nitro-N-phenylbenzamideME8366861.150.85
2,6-Di-tert-butylhydroquinoneME8367151.150.85
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholineME8368351.150.85
21-Hydroxy-5b-pregnane-3,11,20-trioneME8367901.150.85
TroloxME8362011.160.84
RibitolME8363321.160.84
N6-Succinyl AdenosineME8363551.160.84
L-Tryptophan, N-[[(6-deoxy-alpha-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl-ME8368981.160.84
LPI(16:0)ME8361191.160.84
LPE(16:0/0:0)ME8360371.160.84
Janthitrem EME8369711.160.84
HydramethylnonME8367461.160.84
DesoxycortoneME8364991.160.84
Cyclo(Pro-Val)ME8365541.160.84
6-aminonicotinamideME8366211.160.84
2^-O-MethylguanosineME8365191.160.84
2-MethylguanosineME8360631.160.84
2,5-Dimethoxycinnamic acidME8369991.160.84
1-MethylxanthineME8363061.160.84
1,2-Dioleoyl-sn-glycerolME8368151.160.84
15(S)-HETrEME8361441.160.84
PregnanetriolME8364451.270.73
MacaridineME8369741.270.73
LPE(18:3/0:0)ME8361331.270.73
Glycocholic AcidME8360141.270.73
Glu-Phe-Tyr-LysME8370811.270.73
Arg-Ser-Lys-ArgME8370561.270.73
3-Indolepropionic AcidME8363381.270.73
1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositolME8367841.270.73
2-(Dimethylamino)GuanosineME8363561.270.73
Quinoline-2-carboxylic acidME8365331.280.72
N6-Acetyl-L-LysineME8362871.280.72
Montelukast sulfoxideME8371871.280.72
Lys-LysME8368911.280.72
Janthitrem CME8371061.280.72
IsotretinoinME8368261.280.72
DoramapimodME8369651.280.72
Dl-2-Aminooctanoic AcidME8363461.280.72
Cys-Tyr-ThrME8370721.280.72
CephradineME8368811.280.72
CaffeineME8365511.280.72
BIX 01294 TrihydrochlorideME8369781.280.72
5-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diolME8370041.280.72
AlfaxaloneME8368021.280.72
TheobromineME8363011.300.70
SedoheptuloseME8369321.300.70
LPC(20:3/0:0)ME8364501.300.70
L-GlutamineME8362841.300.70
AzafrinME8370691.300.70
Asp-Nap-OHME8370671.300.70
Ala-ValME8366291.300.70
AmpicillinME8361751.300.70
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,4-dimethoxyphenyl)prop-2-enimidic acidME8367571.290.71
LPC(0:0/20:3)ME8364491.290.71
ArchangelicinME8370081.290.71
DihydroroseosideME8367711.290.71
3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dioneME8369431.330.67
Tyr-Thr-Ala-GluME8371651.320.68
Ser-Leu-Pro-Tyr-AlaME8371461.320.68
Phenoxyacetic acidME8360751.320.68
Glu-GluME8365031.320.68
11-deoxy PGE1ME8360791.320.68
16alpha,17beta-Estriol 17-(beta-D-glucuronide)ME8368191.320.68
n-OleoylethanolamineME8367021.310.69
Icosa-5,14-dienoic acidME8370341.310.69
CP 47,497-C8-homolog C-8-hydroxy metaboliteME8367161.310.69
6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olideME8367961.310.69
CarvedilolME8369601.310.69
ZaleplonME8369891.200.80
Montelukast, (S)-ME8370131.200.80
LPE(0:0/22:6)ME8368361.200.80
LPE(0:0/20:2)ME8361261.200.80
LPC(0:0/22:4)ME8364461.200.80
Leu-Val-Leu-Gly-PheME8371171.200.80
Dipentyl phthalateME8367371.200.80
DexrazoxaneME8368821.200.80
Candesartan cilexetilME8367311.200.80
9-PahsaME8368201.200.80
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] 20-methylhenicosanoateME8368481.200.80
12-Hydroxyoctadecanoic acidME8365791.200.80
20beta-DihydroprogesteroneME8366801.200.80
ProtopanaxatriolME8371401.210.79
PantothenolME8364761.210.79
N6-IsopentenyladenosineME8365671.210.79
Lys-Tyr-Ile-GluME8371231.210.79
Lys-Thr-Phe-GluME8371221.210.79
L-ThyroxineME8363281.210.79
LPC(0:0/20:4)ME8364511.210.79
HexylresorcinolME8367451.210.79
GlucobrassicanapinME8369241.210.79
EnsulizoleME8366851.210.79
Asn-Glu-Tyr-GluME8370601.210.79
Arachidonoyl LPAME8362491.210.79
7-PentacosanoneME8369231.210.79
7-[(1R,2R,3S,5S)-2-[(4S)-4-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybut-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acidME8367971.210.79
5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b^]dipyran-2-oneME8370051.210.79
5Androstan-3ol-17-one sulfateME8370351.210.79
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanolME8369471.210.79
16-HydroxyestroneME8364981.210.79
3^-DemethylstaurosporineME8370311.210.79
Sulfoacetic acidME8362121.220.78
Ser-Phe-Val-Phe-SerME8371471.220.78
LPC(18:1/0:0)ME8364551.220.78
L-MethionineME8362731.220.78
Heneicosanoic acidME8368241.220.78
FFA(20:6)ME8364741.220.78
Carnitine C14:1-OHME8364641.220.78
Arg-Pro-ThrME8370551.220.78
Abieta-7,13-dien-18,18-diolME8370451.220.78
2^-O-methyluridineME8361581.220.78
9,10-Dihydroxy-12,13-epoxyoctadecanoateME8370421.220.78
PhlorizinME8370141.240.76
LPE(20:3/0:0)ME8361291.240.76
LPC(18:3/0:0)ME8364571.240.76
LPC(0:0/22:5)ME8364471.240.76
LPC(0:0/18:2)ME8363671.240.76
Isokaurenoic acidME8361871.240.76
CalusteroneME8368071.240.76
Boviquinone 4ME8368051.240.76
6,8a-Seco-6,8a-deoxy-5-oxoavermectin^^1a^^ aglyconeME8370381.240.76
5,8,11-Eicosatrienoic acidME8368371.240.76
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineME8368341.240.76
2-Aminoethanesulfinic AcidME8363411.240.76
γ-Glu-CysME8364051.230.77
ThymineME8363241.230.77
SericetinME8370161.230.77
LicofeloneME8369721.230.77
His-Thr-Lys-LysME8370951.230.77
FFA(22:5)ME8362601.230.77
DHAME8360411.230.77
Asn-MetME8366561.230.77
5-Hydroxy-2^-deoxyuridineME8361621.230.77
2-Thio-PAFME8366891.230.77
4-Pyridoxic AcidME8363001.230.77
Tetracosapentaenoic acid (24:5n-3)ME8368581.260.74
N-(2,6-dimethylphenyl)piperidine-2-carboxamideME8368951.260.74
Lys-Thr-Gln-LysME8371211.260.74
LPE(18:2/0:0)ME8362621.260.74
LPC(22:5/0:0)ME8371251.260.74
Ile-Tyr-Arg-GluME8371041.260.74
Epiandrosterone sulfateME8368171.260.74
1-MethylinosineME8365171.260.74
Ac-Ser-Asp-Lys-ProME8370461.260.74
PC(16:0/2:0)ME8364271.250.75
Mg-protoporphyrin IXME8371261.250.75
Lys-Gln-Ala-Gly-Asp-ValME8371241.250.75
LPC(0:0/20:2)ME8364481.250.75
FFA(22:4)ME8361741.250.75
EsprocarbME8367411.250.75
Asp-Leu-Phe-ArgME8370661.250.75
Arg-Phe-ArgME8368781.250.75
4-toluenesulfonic acidME8362281.250.75
3-hydroxyhexadecanoic acidME8361061.250.75
3-SulfocatecholME8361101.250.75
Tyr-AsnME8366320.801.20
TriptophenolideME8368610.801.20
Shikimic AcidME8360320.801.20
Prostaglandin B2ME8361480.801.20
N-Acetyl-L-LeucineME8360080.801.20
Lys-PheME8366750.801.20
Ile-SerME8366340.801.20
Gln-Ala-Glu-AspME8370780.801.20
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurineME8371840.801.20
Asp-PheME8362780.801.20
UDP-N-acetyl-D-mannosamineME8368700.791.21
Phe-ProME8363790.791.21
Leu-Val-SerME8365100.791.21
Gly-PheME8363900.791.21
CMPFME8362440.791.21
Asn-Ile-Thr-GluME8370610.791.21
5^-Deoxy-5^-(Methylthio) AdenosineME8363620.791.21
4-Hydroxy-L-Glutamic AcidME8362080.791.21
[(1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetateME8368510.791.21
2-O-α-D-glucopyranosyl-L-ascorbic acidME8362380.791.21
Phe-AlaME8366670.781.22
Leu-Glu-HisME8371110.781.22
4-Guanidinobutyric AcidME8363430.781.22
L-DopaME8362830.781.22
Ala-ProME8366190.751.25
1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamineME8368500.751.25
{4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acidME8369960.751.25
Tyr-ProME8366440.761.24
Trp-ProME8366540.761.24
EnilconazoleME8367390.761.24
[2-(benzoyloxy)-5-(prop-2-en-1-yl)phenyl]oxidanesulfonic acidME8369950.761.24
5-Guanidino-3-methyl-2-oxopentanoic acidME8370370.761.24
XanthoxylinME8360000.771.23
PtdIns-(4,5)-P2 (1,2-dihexanoyl)ME8367730.771.23
Phe-GlyME8366450.771.23
PantetheineME8360480.771.23
N-acetyl-D-LactosamineME8366180.771.23
CDP-ethanolamineME8368650.771.23
Glu-Glu-IleME8365120.771.23
ChamissonolideME8368090.811.13
HydroxyquinolineME8364110.821.18
3^-UMPME8363920.821.18
(3beta,24R,24^R)-fucosterol epoxideME8370190.821.18
(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acidME8366900.821.18
2,2^-CyclouridineME8366390.821.18
2-AminopurineME8365590.821.18
Val-Asp-Ser-ArgME8371680.811.19
Trp-Glu-GlnME8371580.811.19
o-Methoxyphenyl sulfateME8362430.811.19
Epinephrine bitartrateME8367400.811.19
4-Hydroxybenzenesulfonic acidME8367250.811.19
CynaropicrinME8368120.811.19
Ser-His-Phe-LysME8371450.831.17
Pro-AlaME8366170.831.17
Phe-LysME8366270.831.17
O-Phospho-L-threonineME8362100.831.17
GalantamineME8367130.831.17
DL-2-hydroxystearic acidME8361020.831.17
AcetylcholineME8364030.831.17
2,4-DihydroxypyridineME8365710.831.17
[(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphateME8371760.831.17
Uridine 5-MonophosphateME8360450.841.16
TryptophylasparagineME8369100.841.16
MethylcysteineME8363830.841.16
D-Fructose 6-Phosphate-Disodium SaltME8360510.841.16
Creatine phosphateME8364260.841.16
Arg-Pro-LeuME8370540.841.16
3^-Adenylic acidME8363070.841.16
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidME8369670.841.16
S-Adenosyl-L-MethionineME8364420.651.35
11-EpimisoprostolME8367790.651.35
ADP-riboseME8360590.651.35
9(S)-HpOTrEME8360970.661.34
5-Acetylamino-6-formylamino-3-methyluracilME8362520.661.34
6-Phosphogluconic acidME8362550.661.34
L-TryptophanME8362750.671.33
Phenylacetyl-L-GlutamineME8360110.681.32
MagnosalinME8371270.701.30
2,4-diacetamino-2,4,6-triphenoxy-D-mannopyranoseME8364390.701.30
Cyclic pyranopterin monophosphateME8369620.701.30
11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-dien-1-oic acidME8368280.741.26
Pov-pcME8368490.741.26
Tyr-GlyME8366680.731.27
Ser-Thr-Arg-AspME8371480.731.27
p-Tolyl SulfateME8361050.731.27
Phosphonoacetic acidME8361700.731.27
Indoxylsulfuric acidME8360700.731.27
Asn-Leu-Ser-Phe-GlnME8370630.731.27
H-Trp-ser-OHME8371610.731.27
Tyr-AspME8366350.721.28
Gly-TyrME8366570.721.28
Glycerol 3-PhosphateME8360740.721.28
Asp-Ile-GluME8370650.721.28
EplerenoneME8368180.721.28
PiperineME8367000.711.29
GDP-L-fucoseME8360640.711.29
HydromorphoneME8366910.711.29
Β-Nicotinamide MononucleotideME8363260.511.49
Asp-LeuME8362220.611.39
Garcinone CME8369680.611.39
IsosalipurposideME8359850.571.43
Udp-beta-L-rhamnoseME8368690.571.43
[(2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoateME8368390.581.42
Cyclic ADP riboseME8361140.591.41
Nicotinamide riboside chlorideME8365320.591.41
MonoethylglycinexylidideME8368920.321.68
Nicotinamide Adenine DinucleotideME8363210.351.65
Adenosine 5^-Diphosphate(ADP)ME8363140.441.56
6-Chloro-n-(2-chlorophenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amineME8369530.411.59
SpermidineME8363780.411.59

Factors:

F1Factor:AGA
F2Factor:SGA
Data matrix
  logo