Clustering data with hclust algorithm for (Study ST004341)

(Analysis AN007249)
MetaboliteStructureF1F2F3
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.246286ME11971500.402.960.00
BispyribacME11978230.442.890.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.592156ME11984070.263.190.00
Uracil 5-carboxylateME11997810.153.360.00
GlibornurideME11984100.003.370.23
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Esi-0.7838333ME11995070.003.490.11
(?-WIN 55,212ME11970170.003.600.00
TyrMe-Ile-OH Esi-15.085ME11997680.003.600.00
Trp-Met-OH Esi-6.704ME11997480.003.600.00
trans-2-Enoyl-OPC8-CoAME11997130.003.600.00
Tragopogonsaponin RME11997110.003.600.00
Tomentolide AME11997050.003.600.00
Tigecycline Esi-11.782ME11996930.003.600.00
Thioridazine 2,5-disulfoneME11996690.003.600.00
ThienodolinME11996620.003.600.00
Tetracosanedioic acidME11996290.003.600.00
Tepraloxydim Esi-15.352ME11996190.003.600.00
TenitramineME11996150.003.600.00
Suprofen Methyl Ester Esi-0.952ME11995990.003.600.00
STS-135 Esi-12.880999ME11995840.003.600.00
Stigmatellin YME11995810.003.600.00
S-Ribosyl-L-homocysteine Esi-8.8359995ME11995770.003.600.00
SQMG(0:0/16:1(13Z)) Esi-10.912001ME11995750.003.600.00
SparfloxacinME11995640.003.600.00
sn-3-O-(geranylgeranyl)glycerol 1-phosphate Esi-11.946ME11995620.003.600.00
SetarinME11995490.003.600.00
Scillipheosidin 3-[glucosyl-(1-2)-rhamnoside]ME11995330.003.600.00
Salfredin B11 Esi-7.3450003ME11995150.003.600.00
Salfredin B11ME11995160.003.600.00
RyanodineME11995050.003.600.00
Rhein sulfateME11994820.003.600.00
(R)-(E)-SulforapheneME11970740.003.600.00
PS(O-18:0/0:0)ME11994390.003.600.00
PS(19:0/22:4(7Z,10Z,13Z,16Z))ME11994180.003.600.00
PS(15:0/12:0)ME11994010.003.600.00
ProthiocarbME11993980.003.600.00
Pro Met Tyr Esi-18.5ME11993770.003.600.00
Prochlorperazine sulfoneME11993830.003.600.00
PrednimustineME11993590.003.600.00
PIP3(18:0/18:1(9Z))ME11993360.003.600.00
PI(P-16:0/16:1(9Z))ME11993290.003.600.00
PI(18:2(9Z,12Z)/0:0) Esi-14.804ME11993140.003.600.00
PI(16:1(9Z)/0:0) Esi-15.032ME11993060.003.600.00
Phyllanthusol A Esi-15.091001ME11993000.003.600.00
PhyllanthinME11992990.003.600.00
p-HydroxygliquidoneME11992970.003.600.00
PG(21:0/0:0)ME11992420.003.600.00
PG(18:1(9Z)/0:0)ME11992390.003.600.00
PG(15:0/12:0)ME11992350.003.600.00
PerphenazineME11992270.003.600.00
Perfluoroacetyl chloride Esi-0.8309999ME11992190.003.600.00
Penicilloic acid of 5-OHME11992140.003.600.00
Pederin Esi-13.51ME11992050.003.600.00
PE-Cer(d14:1(4E)/18:0(2OH))ME11992000.003.600.00
PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)ME11991210.003.600.00
Nostoxanthin sulfateME11990580.003.600.00
N-NitrosotomatidineME11990460.003.600.00
N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-oneME11990440.003.600.00
NicarbazinME11990350.003.600.00
N-Ethylmaleimide-S-glutathioneME11990200.003.600.00
N-Didesethylquinagolide sulfateME11990030.003.600.00
Nb-StearoyltryptamineME11989950.003.600.00
Nandrolone decanoate Esi-20.410997ME11989840.003.600.00
(N-Acetylglucosaminyl)2-diphosphodolicholME11970720.003.600.00
N-Acetyl-9-O-lactoylneuraminic acidME11989770.003.600.00
N6^-Acetylkanamycin-BME11989730.003.600.00
N-(2-phenylethyl)-Indomethacin amideME11989480.003.600.00
Misoprostol (free acid)ME11989080.003.600.00
Mipafox Esi-8.878ME11988990.003.600.00
Mipafox Esi-8.195ME11989000.003.600.00
M(IP)2C(d18:0/16:0) Esi-15.441ME11987890.003.600.00
MGDG(16:0/18:1(9Z))ME11988880.003.600.00
Met Tyr Phe Esi-18.509ME11988420.003.600.00
MethylcobalaminME11988750.003.600.00
Methyl Arachidonyl Fluorophosphonate Esi-9.839999ME11988670.003.600.00
MethiothepinME11988540.003.600.00
Mesoporphyrin IXME11988350.003.600.00
MechlorethamineME11988200.003.600.00
MAHMA NONOateME11987940.003.600.00
Lys Ser AspME11987730.003.600.00
Lys Phe GlnME11987710.003.600.00
Lys Lys Arg Esi-16.804998ME11987660.003.600.00
Leukotriene D4 methyl ester Esi-13.571001ME11987160.003.600.00
Leflunomide Esi-3.274ME11986910.003.600.00
Kni 102 Esi-14.574ME11986500.003.600.00
Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyME11986410.003.600.00
Kanzonol RME11986360.003.600.00
JWH 081 N-(5-hydroxypentyl) Esi-18.811003ME11986240.003.600.00
Istamycin B0ME11985900.003.600.00
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) Esi-6.0989995ME11985860.003.600.00
Isorhamnetin 3-[2^^-(4^^^-acetylrhamnosyl)-gentiobioside]ME11985840.003.600.00
IsoreserpineME11985830.003.600.00
Isopropyl apiosylglucoside Esi-18.751ME11985800.003.600.00
Isopropyl apiosylglucoside Esi-18.040003ME11985810.003.600.00
Ins-1-P-Cer(d18:1/22:0)ME11985640.003.600.00
imidaprilME11985570.003.600.00
Ile Ala AsnME11985470.003.600.00
HycanthoneME11985390.003.600.00
HPF Esi-1.523ME11985380.003.600.00
Histidinyl-AspartateME11985220.003.600.00
Hispidulin 7-(6^^-E-p-Coumaroylglucoside)ME11985210.003.600.00
Guanidinoproclavaminic acidME11984820.003.600.00
GrossamideME11984790.003.600.00
Granisetron metabolite 4 sulfateME11984780.003.600.00
GPSer(16:0/18:1(9Z)) Esi-14.094ME11984760.003.600.00
Goserelin Esi-13.974999ME11984720.003.600.00
Gly Tyr AsnME11984540.003.600.00
Gly Gln GlyME11984520.003.600.00
GlcNAc?1-3Gal?1-4GlcNAc?-SpME11984030.003.600.00
GlcNAc?1-3(Gal?1-4GlcNAc?)2-SpME11984020.003.600.00
Ginsenoyne LME11983910.003.600.00
Genistein 4^-rhamnosideME11983800.003.600.00
Garciduol BME11983770.003.600.00
Ganglioside GM3 (d18:0/25:0) Esi-13.782999ME11983700.003.600.00
Ganglioside GM1 (d18:1/22:1(13Z))ME11983610.003.600.00
Ganglioside GD3 (d18:0/26:0)ME11983540.003.600.00
(+)-gamma-Hydroxy-L-homoarginine Esi-7.653ME11970190.003.600.00
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11983390.003.600.00
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11983230.003.600.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.548002ME11983140.003.600.00
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-15.069ME11983050.003.600.00
Fosinoprilat Esi-10.661ME11983010.003.600.00
FosinoprilatME11983000.003.600.00
Formylpyruvate Esi-1.255ME11982940.003.600.00
Fluprostenol isopropyl esterME11982790.003.600.00
FlunitrazepamME11982740.003.600.00
FlindersiamineME11982680.003.600.00
FenclorimME11982550.003.600.00
Evasterioside EME11982490.003.600.00
EucatropineME11982460.003.600.00
Epitheaflavic acid 3^-gallateME11982110.003.600.00
ent-Epicatechin-(4alpha-8)-ent-epicatechin 3,3^-digallateME11982090.003.600.00
E-3179ME11981930.003.600.00
DonepezilME11981840.003.600.00
DodecylguanidineME11981820.003.600.00
DL-?-Lipoic AcidME11981720.003.600.00
Dipiperamide DME11981610.003.600.00
Dinor IloprostME11981540.003.600.00
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.037998ME11980870.003.600.00
Deacetylcephalosporin C Esi-0.827ME11980480.003.600.00
D-Camphorsulfonate Esi-8.185ME11980450.003.600.00
Dabigatran etexilateME11980370.003.600.00
Cys Asn Thr Esi-0.79099995ME11980200.003.600.00
CyanophosME11979970.003.600.00
Coelichelin Esi-13.951ME11979730.003.600.00
ClofarabineME11979700.003.600.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) Esi-14.614999ME11979670.003.600.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))ME11979660.003.600.00
cis-2,3-Dihydro-2,3-dihydroxy-4^-chlorobiphenylME11979570.003.600.00
CinnavalininateME11979540.003.600.00
ChloronebME11979380.003.600.00
ChlorhexidineME11979360.003.600.00
ChloraniformethanME11979350.003.600.00
Chatenaytrienin 2 Esi-23.705ME11979310.003.600.00
CAY10608 Esi-1.5159999ME11979070.003.600.00
CAY10598 Esi-17.807ME11979040.003.600.00
CAY10500ME11979010.003.600.00
CAY10470ME11978990.003.600.00
Cassiaside B2ME11978950.003.600.00
Carmamycin A Esi-9.452ME11978830.003.600.00
Carmamycin A Esi-11.415ME11978850.003.600.00
Calcimycin Esi-14.084ME11978660.003.600.00
C22-OH SulfatideME11978590.003.600.00
C14:1n-9ME11978560.003.600.00
Butyl 3-O-caffeoylquinateME11978510.003.600.00
BudesonideME11978450.003.600.00
BorrelidinME11978330.003.600.00
Bisindolylmaleimide IVME11978200.003.600.00
Bisindolylmaleimide IME11978180.003.600.00
Bis-gamma-glutamylcysteinylbis-beta-alanineME11978170.003.600.00
bacteriohopane-32,33,34,35-tetrolME11977670.003.600.00
AztreonamME11977640.003.600.00
Avermectin A2a aglyconeME11977540.003.600.00
Asp Glu AlaME11977230.003.600.00
ArmillatinME11977050.003.600.00
Argininic acidME11977020.003.600.00
Araloside S1 Esi-15.079001ME11976830.003.600.00
Androsterone glucuronideME11976640.003.600.00
AmmodendrineME11976580.003.600.00
Aluminum acetate Esi-5.152ME11976460.003.600.00
9-O-Demethyl-2alpha-hydroxyhomolycorine Esi-14.196001ME11975970.003.600.00
7-OxociguatoxinME11975660.003.600.00
7-HydroxylevomepromazineME11975620.003.600.00
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin CME11975580.003.600.00
6-O-MethylguanineME11975490.003.600.00
6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996ME11975460.003.600.00
6-ChloroapigeninME11975290.003.600.00
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrolME11975270.003.600.00
(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecaneME11970620.003.600.00
4-Quinolone-3-Carboxamide Furan CB2 AgonistME11974840.003.600.00
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanolME11974420.003.600.00
4-Methylburimamide Esi-13.114ME11974730.003.600.00
4^-Hydroxyfenoprofen Esi-6.271ME11974680.003.600.00
3-O-alpha-L-Arabinopyranosyl-L-arabinoseME11974300.003.600.00
3-Hydroxy-L-proline Esi-1.23ME11974120.003.600.00
3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside]ME11974090.003.600.00
(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-olME11970500.003.600.00
2-Stearyl citrateME11973460.003.600.00
2-deoxyecdysone 22-phosphateME11973130.003.600.00
2-ButylbenzothiazoleME11972990.003.600.00
2-Butyl-1H-benzimidazoleME11972980.003.600.00
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372ME11972920.003.600.00
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-olME11972890.003.600.00
2-(Acetamidomethylene)succinateME11972220.003.600.00
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.886997ME11972190.003.600.00
2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146ME11972160.003.600.00
24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997ME11972650.003.600.00
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediolME11972500.003.600.00
2,3-DehydrosilychristinME11972380.003.600.00
2,3,3-TriphenylacrylonitrileME11972350.003.600.00
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi-18.447002ME11972330.003.600.00
2,2-Bis(4-hydroxyphenyl)hexafluoropropaneME11972320.003.600.00
1-O-Galloylglycerol Esi-0.86399996ME11972130.003.600.00
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol Esi-18.329ME11971330.003.600.00
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.7930001ME11972050.003.600.00
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-15.548998ME11972040.003.600.00
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-ME11971990.003.600.00
19-Chloro-17beta-hydroxyandrost-4-en-3-oneME11971930.003.600.00
16?-Hydroxy-17-epistanozolol Esi-15.883ME11971740.003.600.00
15(S)-HETE-biotin Esi-23.795ME11971680.003.600.00
15-HETE-VAME11971690.003.600.00
1,5-Diferuloylquinic acidME11971260.003.600.00
14,15-HxA3-C(11S)ME11971590.003.600.00
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl esterME11971520.003.600.00
1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferolME11971310.003.600.00
1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferolME11971320.003.600.00
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide Esi-0.829ME11970930.000.003.60
Zierin Esi-5.62ME11998350.000.003.60
ZierinME11998340.000.003.60
Vinaginsenoside R4ME11998120.000.003.60
Val Phe Val Esi-8.57ME11997950.000.003.60
Valnemulin Esi-23.809002ME11998010.000.003.60
Val Lys Ser Esi-10.02ME11997910.000.003.60
Val His SerME11997890.000.003.60
Tryptophyl-HistidineME11997520.000.003.60
Tris(butoxyethyl)phosphate Esi-18.691ME11997350.000.003.60
Trigoneoside XIIIaME11997270.000.003.60
Tributyltin oxideME11997180.000.003.60
Tofisopam Esi-13.701998ME11997030.000.003.60
Tigecycline Esi-13.508001ME11996920.000.003.60
Thr Lys ArgME11996790.000.003.60
ThiotepaME11996700.000.003.60
ThioperamideME11996670.000.003.60
Thiolanilide Esi-5.746ME11996660.000.003.60
Theasapogenol AME11996550.000.003.60
Thalicsessine Esi-15.215ME11996510.000.003.60
TG(15:1(9Z)/17:0/19:1(9Z))[iso6]ME11996440.000.003.60
TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6]ME11996430.000.003.60
TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6]ME11996400.000.003.60
Testosterone glucuronideME11996250.000.003.60
Termitomycamide B Esi-17.445ME11996240.000.003.60
TeprotideME11996210.000.003.60
Tafluprost ethyl amideME11996030.000.003.60
Taccalonolide AME11996020.000.003.60
SuccinylsulfathiazoleME11995880.000.003.60
SuccimerME11995870.000.003.60
S-methylcaptopril Esi-10.622001ME11995600.000.003.60
SlaframineME11995560.000.003.60
SenkirkineME11995410.000.003.60
Sarin Esi-5.404ME11995220.000.003.60
RosoxacinME11995020.000.003.60
Renilla luciferin Esi-17.472998ME11994710.000.003.60
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-oneME11994640.000.003.60
(R)-(+)-2-Pyrrolidone-5-carboxylic acidME11970730.000.003.60
Quinquenoside IVME11994620.000.003.60
Quercetin 3-(3^^,6^^-di-p-coumarylglucoside)ME11994570.000.003.60
Pyrene-1,8-dioneME11994520.000.003.60
PtdIns-(3,4,5)-P3 (1-stearoyl, 2-arachidonoyl)ME11994500.000.003.60
PS(P-18:0/12:0)ME11994420.000.003.60
PS(O-18:0/18:4(6Z,9Z,12Z,15Z))ME11994400.000.003.60
PS(22:1(11Z)/0:0)ME11994310.000.003.60
PS(19:0/0:0) Esi-14.080001ME11994170.000.003.60
PS(18:0/19:0)[U] Esi-14.462999ME11994110.000.003.60
PS(17:0/22:1(11Z))ME11994080.000.003.60
ProrocentrolideME11993910.000.003.60
Pro Arg IleME11993670.000.003.60
PramipexoleME11993560.000.003.60
Ponceau SXME11993540.000.003.60
Pomiferin Esi-15.308001ME11993520.000.003.60
Polysorbate 20ME11993510.000.003.60
Pivmecillinam Esi-8.838ME11993450.000.003.60
PivmecillinamME11993460.000.003.60
Piscerythramine Esi-15.218ME11993430.000.003.60
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.258001ME11993240.000.003.60
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.244ME11993210.000.003.60
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.902002ME11993250.000.003.60
PI(20:1(11Z)/0:0)ME11993180.000.003.60
PI(18:0/22:2(13Z,16Z)) Esi-15.679ME11993100.000.003.60
PI(18:0/0:0)ME11993080.000.003.60
PI(15:0/17:1(9Z))ME11993050.000.003.60
Phyllanthusol AME11993010.000.003.60
Phosphatidyl glycerol Esi-1.2580001ME11992890.000.003.60
PG(P-16:0/18:4(6Z,9Z,12Z,15Z))ME11992460.000.003.60
PGF2?-11-acetateME11992490.000.003.60
PG(12:0/17:2(9Z,12Z))ME11992310.000.003.60
Perfluorooctanesulfonic acidME11992200.000.003.60
PerazineME11992170.000.003.60
PE(P-20:0/20:3(8Z,11Z,14Z))ME11991970.000.003.60
Pentacarboxyl porphyrinogen IIIME11992150.000.003.60
PE-Cer(d16:2(4E,6E)/16:0) Esi-18.225002ME11992040.000.003.60
PE-Cer(d16:1(4E)/16:0)ME11992020.000.003.60
PE-Cer(d14:1(4E)/16:0)ME11991990.000.003.60
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.486ME11991870.000.003.60
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.530001ME11991840.000.003.60
PE(20:2(11Z,14Z)/0:0) Esi-13.972ME11991680.000.003.60
PE(20:0/0:0) Esi-15.399ME11991620.000.003.60
PE(20:0/0:0) Esi-12.4609995ME11991640.000.003.60
PE(19:0/0:0) Esi-15.639ME11991580.000.003.60
Palmyramide AME11991350.000.003.60
Palmitoyl glucuronideME11991330.000.003.60
Palmitoleoyl 3-carbacyclic Phosphatidic AcidME11991320.000.003.60
Oxytetracycline Esi-1.5249999ME11991130.000.003.60
Oxotolrestat glucuronideME11991100.000.003.60
OrientalosideME11990990.000.003.60
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-9.697ME11990920.000.003.60
N-stearoyl proline Esi-18.880999ME11990710.000.003.60
NSC 23766ME11990670.000.003.60
N-PhosphohypotaurocyamineME11990660.000.003.60
N-palmitoyl leucine Esi-19.009ME11990610.000.003.60
Nomilinic acidME11990510.000.003.60
N-Oleoyl DopamineME11990480.000.003.60
N-oleoyl asparagineME11990470.000.003.60
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi-0.657ME11989520.000.003.60
NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11990260.000.003.60
Neoacrimarine KME11990110.000.003.60
NAc-DNP-CysME11989760.000.003.60
N6-Carbamoyl-DL-LysineME11989740.000.003.60
N3^-AcetylneomycinME11989720.000.003.60
N-(2-fluro-ethyl) arachidonoyl amineME11989470.000.003.60
N-(1-Deoxy-1-fructosyl)tryptophan Esi-17.592ME11989440.000.003.60
N-(1-Deoxy-1-fructosyl)tryptophanME11989430.000.003.60
Myristoleyl linoleateME11989370.000.003.60
Muricatenol Esi-20.944998ME11989260.000.003.60
MupirocinME11989220.000.003.60
MosaprideME11989170.000.003.60
MontaninME11989140.000.003.60
m-Hydroxydiphenyldimercury(1+) Esi-0.691ME11988900.000.003.60
MG(18:1(11E)/0:0/0:0)[rac] Esi-20.621ME11988840.000.003.60
MethyprylonME11988770.000.003.60
Methyl Arachidonyl Fluorophosphonate Esi-9.5859995ME11988680.000.003.60
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoateME11988650.000.003.60
Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] esterME11988610.000.003.60
Methional diethyl acetal Esi-9.087999ME11988490.000.003.60
MethamidophosME11988470.000.003.60
MethacrifosME11988460.000.003.60
Met-Abu-OHME11988440.000.003.60
MeloxicamME11988330.000.003.60
Melongoside LME11988320.000.003.60
Megestrol Esi-15.351ME11988260.000.003.60
MDL 73492 glucuronideME11988160.000.003.60
Maytansine Esi-13.949999ME11988100.000.003.60
Marasmene Esi-14.875ME11988000.000.003.60
Malyngamide LME11987970.000.003.60
Machaerol CME11987910.000.003.60
Lys Lys ArgME11987670.000.003.60
Lupiwighteone hydrate 7-glucoside Esi-0.651ME11987540.000.003.60
Lovastatin acid (Mevinolinic acid) Esi-19.758ME11987490.000.003.60
Lividomycin B Esi-13.670999ME11987390.000.003.60
Lithocholic acid taurine conjugate Esi-15.662999ME11987340.000.003.60
Leukotriene F4ME11987210.000.003.60
Leukotriene B4-3-aminopropylamide Esi-13.529001ME11987090.000.003.60
Leu His Asn Esi-0.652ME11987020.000.003.60
Leoidin Dimethyl EtherME11986920.000.003.60
L-Cyclo(alanylglycyl)ME11986900.000.003.60
Lauryl hydrogen sulfate Esi-22.029ME11986830.000.003.60
Lauryl hydrogen sulfate Esi-20.184002ME11986860.000.003.60
Latanoprost-d4ME11986800.000.003.60
L-Ascorbic acidME11986750.000.003.60
Kikkanol A Esi-11.870001ME11986470.000.003.60
KetospirilloxanthinME11986450.000.003.60
ketophenylbutazoneME11986440.000.003.60
JWH 081 N-(5-hydroxypentyl)ME11986230.000.003.60
Istamycin X0 Esi-15.622ME11985980.000.003.60
Istamycin APME11985890.000.003.60
IprovalicarbME11985680.000.003.60
ImiquimodME11985580.000.003.60
Ile Asp HisME11985480.000.003.60
HypoxyloneME11985440.000.003.60
HydroxyminalineME11985420.000.003.60
HomocystineME11985300.000.003.60
His Val LysME11985190.000.003.60
Histidinyl-Hydroxyproline Esi-0.77300006ME11985230.000.003.60
His Pro TrpME11985170.000.003.60
His Met Ala Esi-17.569ME11985140.000.003.60
HeliotrineME11984980.000.003.60
GualenateME11984810.000.003.60
Gonyautoxin IVME11984710.000.003.60
Gly Tyr HisME11984550.000.003.60
Gly-Nap-OH Esi-0.83899987ME11984680.000.003.60
Gly Gln GlnME11984510.000.003.60
Glycoursodeoxycholic acidME11984640.000.003.60
Glycerol 1-propanoate diacetateME11984570.000.003.60
Glu Ile LysME11984350.000.003.60
Glucoconringiin Esi-6.1020007ME11984470.000.003.60
GlcCer(d16:2(4E,6E)/24:0)ME11984000.000.003.60
Ginsenoside Rs2 Esi-14.407ME11983900.000.003.60
Ginsenoside Rb1 Esi-14.899ME11983850.000.003.60
Gibberellin A53ME11983830.000.003.60
Ganodermic acid TQME11983750.000.003.60
Ganglioside GM1 (d18:0/23:0) Esi-14.559ME11983570.000.003.60
Gambogic acidME11983490.000.003.60
GambirtannineME11983480.000.003.60
Gambieric acid BME11983460.000.003.60
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) Esi-14.026ME11983330.000.003.60
Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)ME11983310.000.003.60
Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11983290.000.003.60
Fusidic acidME11983180.000.003.60
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0)ME11983090.000.003.60
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)ME11983120.000.003.60
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)ME11983060.000.003.60
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)ME11983040.000.003.60
Fortimicin AP Esi-11.01ME11982970.000.003.60
FomesafenME11982900.000.003.60
FMC-5(d18:1/24:0)ME11982860.000.003.60
Fluprostenol Lactone DiolME11982800.000.003.60
Fluoroureidopropionic acidME11982750.000.003.60
FludioxonilME11982700.000.003.60
FetidineME11982640.000.003.60
EtrogolME11982450.000.003.60
EtomoxirME11982430.000.003.60
Etidocaine Esi-13.602999ME11982370.000.003.60
Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoateME11982300.000.003.60
ETF Esi-1.02ME11982240.000.003.60
Erythrose Esi-0.842ME11982180.000.003.60
Enkephaline, (D-Ala)2-LeuME11982070.000.003.60
Eicosatrienoic acidME11982020.000.003.60
Eicosanedioic acidME11982010.000.003.60
dXTPME11981920.000.003.60
Duartin (-)ME11981900.000.003.60
Docusate Esi-23.757998ME11981810.000.003.60
DL-threo-PDMP Esi-13.547ME11981740.000.003.60
DL-threo-PDMPME11981750.000.003.60
DivinylprotochlorophyllideME11981700.000.003.60
Dithianon Esi-0.836ME11981680.000.003.60
DiphenoxylateME11981590.000.003.60
DimefuronME11981490.000.003.60
Dihydrorhodamine 123ME11981440.000.003.60
DihydrodeoxystreptomycinME11981390.000.003.60
Dihydrocaffeic acid 3-sulfateME11981360.000.003.60
DihomomethionineME11981330.000.003.60
Dibenzothiophene Esi-2.2409997ME11981120.000.003.60
DiacetylfusarochromanoneME11981050.000.003.60
?-D-GlucoseME11970950.000.003.60
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.66ME11980960.000.003.60
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi-12.076ME11980910.000.003.60
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]ME11980920.000.003.60
DG(15:1(9Z)/18:0/0:0)[iso2]ME11980890.000.003.60
DG(13:0/16:1(9Z)/0:0)[iso2]ME11980820.000.003.60
D-FructosazineME11980810.000.003.60
Desmethylpantoprazole sulfateME11980770.000.003.60
(?-DesethylhydroxychloroquineME11970160.000.003.60
Demeton-S-methylsulphonME11980610.000.003.60
delta-Carotene-1,2-epoxideME11980560.000.003.60
DecosideME11980540.000.003.60
DCIME11980470.000.003.60
D-Camphorsulfonate Esi-8.187ME11980440.000.003.60
D-2-Aminobutyric acidME11980360.000.003.60
CyenopyrafenME11980110.000.003.60
Cybutryne Esi-11.947ME11980000.000.003.60
cortisol 21-sulfateME11979860.000.003.60
CoelichelinME11979740.000.003.60
CitioloneME11979630.000.003.60
CinnzeylanolME11979550.000.003.60
Cinnamic acidME11979530.000.003.60
cholesterol sulfate Esi-23.72ME11979430.000.003.60
Chivosazole FME11979340.000.003.60
ChalcomycinME11979300.000.003.60
Cephalexin Esi-6.09ME11979140.000.003.60
CAY10608ME11979060.000.003.60
Candesartan CilextilME11978730.000.003.60
Caffeoyl aspartic acid Esi-7.343ME11978650.000.003.60
C20:4n-2,6,9,12ME11978570.000.003.60
BW 723C86 Esi-5.992ME11978540.000.003.60
Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acidME11978480.000.003.60
Brompheniramine (monodemethylated) Esi-0.844ME11978420.000.003.60
Bisacodyl diphenol glucuronideME11978160.000.003.60
Biotin-X-NHSME11978150.000.003.60
Benzotrichloride Esi-1.2819998ME11977990.000.003.60
BenzenepropanenitrileME11977970.000.003.60
BenfuresateME11977900.000.003.60
BAY-u3405ME11977800.000.003.60
bacteriohopane-32,33,34,35-tetrol Esi-21.027ME11977680.000.003.60
Avadharidine Esi-15.600999ME11977520.000.003.60
Austalide K Esi-23.763ME11977490.000.003.60
Atorvastatin Metabolite(meta)ME11977460.000.003.60
AsukamycinME11977430.000.003.60
Asterlingulatoside D Esi-14.979998ME11977420.000.003.60
Assamsaponin B Esi-14.01ME11977380.000.003.60
Asp Tyr Gln Esi-19.117998ME11977270.000.003.60
Asp Glu GluME11977240.000.003.60
Asp Asn Asn Esi-13.780001ME11977220.000.003.60
Asparagoside BME11977300.000.003.60
Asn-Trp-OHME11977200.000.003.60
Asn Leu TyrME11977180.000.003.60
Asn Asp Cys Esi-1.274ME11977170.000.003.60
Artonin CME11977110.000.003.60
Artonin B Esi-15.222ME11977100.000.003.60
Artonin BME11977090.000.003.60
ArnamiolME11977060.000.003.60
Arg Tyr PheME11976990.000.003.60
Arg Tyr Arg Esi-15.564ME11976960.000.003.60
Arg His ValME11976880.000.003.60
Apigenin 7-(6^^-crotonylglucoside)ME11976740.000.003.60
AngustibalinME11976660.000.003.60
AmarogentinME11976490.000.003.60
alpha-kamlolenic acidME11976420.000.003.60
all-trans-hexaprenyl diphosphateME11976400.000.003.60
all-trans-heptaprenyl diphosphateME11976390.000.003.60
Ala Lys SerME11976300.000.003.60
Ala Lys HisME11976290.000.003.60
Acutoside CME11976180.000.003.60
Acarbose (component 2)ME11976050.000.003.60
(Ac)2-L-Lys-D-Ala-D-Ala Esi-14.157999ME11970660.000.003.60
(Ac)2-L-Lys-D-Ala-D-AlaME11970670.000.003.60
9Z,11Z-Tetradecadienyl acetateME11976000.000.003.60
9-O-Demethyl-2alpha-hydroxyhomolycorineME11975960.000.003.60
9-MethylxanthineME11975940.000.003.60
9-Methoxy-alpha-lapachoneME11975920.000.003.60
(?9-HpODEME11970150.000.003.60
9-AminocamptothecinME11975890.000.003.60
9,12-dimethoxy-13-hydroxy-10-octadecenoic acidME11975880.000.003.60
8-Prenylafzelechin 5-methyl ether Esi-23.754ME11975770.000.003.60
8-HydroxypurineME11975750.000.003.60
7?-(Thiomethyl)spironolactone sulfoneME11975570.000.003.60
6-Oxo-2-hydroxy-7-(4^-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoateME11975510.000.003.60
6-Methoxy-3-(2-thiazolyl)-1H-indoleME11975450.000.003.60
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin CME11975310.000.003.60
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^2b^^ aglyconeME11975250.000.003.60
6-(2-Chloroallylthio)purineME11975230.000.003.60
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-olME11970640.000.003.60
5(S),6(R)-DiHETEME11974900.000.003.60
5beta-Chola-3,11-dien-24-oic AcidME11975030.000.003.60
4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-ME11974830.000.003.60
4-oxo 2-Nonenal-d3 Esi-5.091ME11974800.000.003.60
4-HydroxyrottlerinME11974720.000.003.60
4-Hydroxypenbutolol glucuronide Esi-13.303999ME11974710.000.003.60
4^-HydroxyfenoprofenME11974670.000.003.60
4-Carboxy-4^-sulfoazobenzene Esi-1.5220001ME11974600.000.003.60
4-BromophenylacetateME11974580.000.003.60
4-Aminoethylbenzenesulfonyl FluorideME11974570.000.003.60
4-Acetyl-2(3H)-benzoxazoloneME11974520.000.003.60
4,4^^-bis(N-feruloyl)serotonin Esi-14.83ME11974460.000.003.60
3-Vinylbacteriochlorophyllide d Esi-10.615ME11974390.000.003.60
3-oxoglutaric acid Esi-1.0950001ME11974330.000.003.60
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol Esi-13.189001ME11974290.000.003.60
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-olME11974260.000.003.60
3-Methoxy-4-hydroxyphenylethylene glycolME11974190.000.003.60
3^-HydroxyIndinavir Esi-15.330999ME11974100.000.003.60
3-?-HydroxydeoxygedininME11973660.000.003.60
3^-Demethylstaurosporine Esi-18.837ME11973940.000.003.60
(3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4^-(2^^-glucosyl-3^^-xylosyl)-galactoside]ME11970570.000.003.60
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.573ME11970550.000.003.60
3-Amino-4,7-dihydroxycoumarinME11973820.000.003.60
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.433ME11973800.000.003.60
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylateME11973580.000.003.60
3,3-Difluoro-17-methyl-5alpha-androstan-17beta-olME11973550.000.003.60
3-(2-Furanyl)-2-propenalME11973490.000.003.60
2-O-p-Coumaroyltartronic acidME11973410.000.003.60
2-(Methylthio)propaneME11972250.000.003.60
2-HydroxytenoxicamME11973290.000.003.60
2-glyceryl-6-keto-PGF1? Esi-11.426ME11973170.000.003.60
2-EthoxythiazoleME11973160.000.003.60
2-Dodecylbenzenesulfonic acidME11973150.000.003.60
2-deoxyecdysone 22-phosphate Esi-13.526ME11973140.000.003.60
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438ME11973120.000.003.60
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612ME11973110.000.003.60
2-Chloro-1,1,1-trifluoroethaneME11973010.000.003.60
2-carbazol-9-ylbenzoic acidME11973000.000.003.60
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.884ME11972200.000.003.60
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.2890005ME11972710.000.003.60
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.198999ME11972720.000.003.60
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-14.336ME11970430.000.003.60
(25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1?,25-dihydroxycholecalciferolME11970380.000.003.60
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol Esi-23.75ME11970350.000.003.60
24:2(5Z,9Z)(11Me,15Me,19Me,23Me)ME11972640.000.003.60
(23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxycholecalciferolME11970320.000.003.60
2,3-Dihydroxy-4-Methoxy-4^-EthoxybenzophenoneME11972400.000.003.60
2,3,7,8-TetrachlorodibenzofuranME11972370.000.003.60
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol Esi-15.688002ME11970300.000.003.60
22:2(5Z,9Z)(13Me,17Me,21Me)ME11972520.000.003.60
1-O-2^-Hydroxy-4^-methoxycinnamoyl-b-D-glucoseME11972100.000.003.60
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-20.962ME11971370.000.003.60
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-12.445ME11972020.000.003.60
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5.037ME11971970.000.003.60
17-trifluoromethylphenyl trinor PGF2? methyl esterME11971880.000.003.60
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-olME11971820.000.003.60
16?-Hydroxy-17-epistanozolol Esi-14.794ME11971730.000.003.60
16-Hydroxy-10-oxohexadecanoic acidME11971770.000.003.60
16-a-HydroxypregnenoloneME11971750.000.003.60
14alpha-HydroxyixocarpanolideME11971630.000.003.60
1,2,3-TrichlorobenzeneME11971130.000.003.60
(-)-11-nor-9-carboxy-?9-THC-d3ME11970040.000.003.60
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acidME11971440.000.003.60
CedrolME11979120.000.003.59
Thonningianin BME11996720.000.003.59
ArmillarivinME11977041.770.420.35
BacampicillinME11977661.830.350.33
RisperidoneME11994941.830.360.32
FluxofenimME11982851.960.460.00
1,1^-Bis(2-hydroxy-3-methylcarbazole)ME11971111.880.590.00
PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)ME11991751.880.580.00
Na-p-HydroxycoumaroyltryptophanME11989861.930.520.00
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-15.506749ME11970391.910.540.00
AlamarineME11976311.920.530.00
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2-yl)-guanidine Esi-17.579546ME11989592.120.200.00
Phe-Nap-OHME11992742.130.190.00
Tyr-Trp-OHME11997742.070.280.00
BucladesineME11978442.060.310.00
VaccinosideME11997882.060.300.00
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-BenzamideME11974512.030.350.00
Vanillin 3-(L-menthoxy)propane-1,2-diol acetalME11998052.030.350.00
Benzanthrone Esi-1.2634615ME11977942.020.370.00
ThiethylperazineME11996632.020.370.00
Bluensidine 6-phosphateME11978271.990.410.00
Asp Tyr GlnME11977282.010.390.00
Desmethyl rosuvastatinME11980732.010.390.00
14,14,14-Trifluoro-11Z-tetradecenyl acetateME11971582.230.020.02
8-HETEME11975722.240.020.00
ZomepiracME11998392.250.000.00
Z-Arg-Arg-NHMec Esi-14.280999ME11998312.250.000.00
XimenoylacetoneME11998272.250.000.00
XamoterolME11998202.250.000.00
Vomifoliol 9-[glucosyl-(1-4)-xylosyl-(1-6)-glucoside]ME11998142.250.000.00
VomicineME11998132.250.000.00
VibriobactinME11998112.250.000.00
VerteporfinME11998102.250.000.00
VelcorinME11998062.250.000.00
Val Phe Phe Esi-13.027ME11997942.250.000.00
Val Phe PheME11997932.250.000.00
Val-Nap-OH Esi-17.973ME11998002.250.000.00
Val-Nap-OHME11997992.250.000.00
Uzarigenin 3-[xylosyl-(1-2)-rhamnoside]ME11997872.250.000.00
Ustiloxin B Esi-14.060002ME11997862.250.000.00
Uroporphyrinogen IME11997832.250.000.00
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-?-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D- alanineME11997792.250.000.00
UDP-N-acetyl-D-galactosaminuronic acidME11997782.250.000.00
Tyrosyl-CysteineME11997712.250.000.00
Tyr Leu TyrME11997652.250.000.00
Tumonoic Acid I Esi-14.567999ME11997612.250.000.00
Tubulosine Esi-13.154001ME11997592.250.000.00
Tubulosine Esi-11.133ME11997562.250.000.00
Tsangane L 3-glucosideME11997542.250.000.00
Trp Trp LysME11997452.250.000.00
Trp Phe ValME11997422.250.000.00
Trp-Met-OHME11997472.250.000.00
Troglitazone quinoneME11997382.250.000.00
TrimethobenzamideME11997322.250.000.00
TrichlormethineME11997192.250.000.00
TreosulfanME11997162.250.000.00
Tragopogonsaponin KME11997102.250.000.00
Tragopogonsaponin JME11997092.250.000.00
(-)-Tortuosamine Esi-19.124285ME11970122.250.000.00
(-)-TortuosamineME11970112.250.000.00
TirofibanME11996982.250.000.00
tiracizineME11996952.250.000.00
TifluadomME11996912.250.000.00
Thr Ile LysME11996762.250.000.00
Thr Glu Leu Esi-14.047ME11996732.250.000.00
Thio-THIPME11996712.250.000.00
Thermobiszeaxanthin-13-15/ Zeaxanthin diglucoside diesterME11996592.250.000.00
Thermobiszeaxanthin-13-13 Esi-16.32ME11996572.250.000.00
Thermobiszeaxanthin-13-13ME11996582.250.000.00
ThamnosinME11996542.250.000.00
TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]ME11996502.250.000.00
TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) Esi-19.088ME11996452.250.000.00
TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]ME11996412.250.000.00
Tetranor-PGEMME11996382.250.000.00
TetrahydrocorticosteroneME11996322.250.000.00
TetragastrinME11996312.250.000.00
Terbutaline-1-sulfateME11996232.250.000.00
TelaprevirME11996132.250.000.00
Taxinine M Esi-14.386ME11996102.250.000.00
Tartronate semialdehydeME11996062.250.000.00
TalampicillinME11996042.250.000.00
Syringolin AME11996002.250.000.00
Suprofen Methyl EsterME11995982.250.000.00
Sulindac glucuronideME11995972.250.000.00
StreptidineME11995822.250.000.00
SRT 1720ME11995792.250.000.00
Spinosyn KME11995722.250.000.00
Sphingofungin C Esi-13.721ME11995672.250.000.00
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1-4)-a-L-rhamnopyranosyl-(1-2)-[a-L-rhamnopyranosyl-(1-6)]-b-D-glucopyranoside]ME11970882.250.000.00
S-methylcaptoprilME11995592.250.000.00
Sertraline Carbamic acid glucuronideME11995482.250.000.00
Ser His AsnME11995442.250.000.00
SecogaliosideME11995382.250.000.00
Scutianine FME11995362.250.000.00
Scriptaid Esi-16.334997ME11995352.250.000.00
Scarlet RedME11995322.250.000.00
Sarpagine Esi-19.119ME11995262.250.000.00
SarpagineME11995272.250.000.00
Sarmentoside BME11995252.250.000.00
Sarin Esi-3.2379997ME11995212.250.000.00
Sarcoaldesterol AME11995182.250.000.00
SalermideME11995142.250.000.00
Sachaliside 2ME11995122.250.000.00
(S)-2-Hydroxypropyl-CoMME11970832.250.000.00
(R)-SLV 319 Esi-0.822ME11970792.250.000.00
(R)-SLV 319ME11970802.250.000.00
RosuvastatinME11995032.250.000.00
RosmarinineME11995012.250.000.00
RomidepsinME11995002.250.000.00
Rifamycin S Esi-13.958ME11994932.250.000.00
Rifamycin SME11994922.250.000.00
RifamycinME11994912.250.000.00
Ricinoleic Acid methyl esterME11994882.250.000.00
Ribosylimidazoleacetic acidME11994872.250.000.00
Ribavirin 5^-phosphateME11994862.250.000.00
Rhizochalinin D Esi-23.732ME11994852.250.000.00
ResiniferatoxinME11994782.250.000.00
Rengasin trimethyl etherME11994692.250.000.00
Rebaudioside DME11994672.250.000.00
Rebaudioside CME11994662.250.000.00
(R)C(R)S-S-Propylcysteine sulfoxide Esi-5.548ME11970762.250.000.00
Quillaic acid 3-[galactosyl-(1-2)-glucuronide]ME11994592.250.000.00
PyridateME11994542.250.000.00
Ptilosteroid CME11994512.250.000.00
psychosine sulfate Esi-11.777ME11994472.250.000.00
psychosine sulfateME11994482.250.000.00
PS(P-18:0/20:4(5Z,8Z,11Z,14Z))ME11994432.250.000.00
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))ME11994372.250.000.00
PS(22:2(13Z,16Z)/0:0) Esi-16.542263ME11994332.250.000.00
PS(22:2(13Z,16Z)/0:0)ME11994322.250.000.00
PS(21:0/0:0) Esi-15.392713ME11994292.250.000.00
PS(21:0/0:0)ME11994282.250.000.00
PS(20:2(11Z,14Z)/0:0) Esi-14.404ME11994232.250.000.00
PS(20:1(11Z)/0:0)ME11994222.250.000.00
PS(20:0/22:2(13Z,16Z))ME11994212.250.000.00
PS(20:0/0:0)ME11994202.250.000.00
PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))ME11994192.250.000.00
PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U]ME11994152.250.000.00
PS(17:0/22:1(11Z)) Esi-23.753ME11994092.250.000.00
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi-14.863ME11994062.250.000.00
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))ME11994072.250.000.00
PS(16:0/22:2(13Z,16Z)) Esi-15.417999ME11994042.250.000.00
PS(16:0/22:2(13Z,16Z)) Esi-14.971ME11994022.250.000.00
Prostalidin A Esi-5.978ME11993962.250.000.00
Prostaglandin E2-PEG11-biotin Esi-17.033998ME11993922.250.000.00
Pro Met ThrME11993762.250.000.00
Prolyl-MethionineME11993852.250.000.00
Pro Ile LysME11993732.250.000.00
Pro Glu GluME11993692.250.000.00
Proansamycin XME11993812.250.000.00
Prieuranin AcetateME11993662.250.000.00
PrekinamycinME11993652.250.000.00
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-ME11993612.250.000.00
PraziquantelME11993582.250.000.00
PosaconazoleME11993552.250.000.00
Platycodin C Esi-14.201999ME11993472.250.000.00
Piperolactam CME11993392.250.000.00
Piperochromenoic acidME11993382.250.000.00
PipazethateME11993372.250.000.00
PI(P-16:0/16:1(9Z)) Esi-18.521ME11993302.250.000.00
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.808ME11993202.250.000.00
PI(22:0/19:0)ME11993192.250.000.00
PI(19:1(9Z)/0:0) Esi-15.002001ME11993162.250.000.00
PI(19:1(9Z)/0:0)ME11993172.250.000.00
Phytyl phosphateME11993042.250.000.00
PhysalolactoneME11993022.250.000.00
p-Hydroxyfosinopril Esi-14.575ME11992952.250.000.00
Phoslactomycin B Esi-13.793ME11992882.250.000.00
Phlorisobutyrophenone 2-glucosideME11992852.250.000.00
Phe Trp TrpME11992702.250.000.00
Phe Trp LeuME11992682.250.000.00
PhenmediphamME11992762.250.000.00
Phe Met PheME11992662.250.000.00
Phe Cys Lys Esi-19.116ME11992612.250.000.00
Phe Arg ValME11992592.250.000.00
Phe4Cl-Phe4Cl-OHME11992722.250.000.00
Phe4Cl-Nap-OHME11992712.250.000.00
PhalloidinME11992552.250.000.00
PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME11992482.250.000.00
PG(P-20:0/18:3(9Z,12Z,15Z))ME11992472.250.000.00
PGF2?-11-acetate methyl ester Esi-19.169ME11992502.250.000.00
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)ME11992452.250.000.00
PG(22:2(13Z,16Z)/0:0)ME11992442.250.000.00
PG(18:4(6Z,9Z,12Z,15Z)/12:0)ME11992402.250.000.00
PG(17:1(9Z)/22:2(13Z,16Z))ME11992382.250.000.00
PG(15:0/16:0) Esi-10.005ME11992372.250.000.00
PG(14:1(9Z)/14:1(9Z)) Esi-23.622ME11992342.250.000.00
PG(14:1(9Z)/12:0)ME11992332.250.000.00
Permetin A Esi-16.517ME11992262.250.000.00
Periandrin VME11992232.250.000.00
Pergolide sulfoneME11992212.250.000.00
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))ME11991982.250.000.00
PE(O-16:0/16:0)ME11991892.250.000.00
Pederin Esi-15.964503ME11992092.250.000.00
Pederin Esi-14.62ME11992122.250.000.00
PE-Cer(d16:2(4E,6E)/16:0)ME11992032.250.000.00
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)ME11991882.250.000.00
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))ME11991852.250.000.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.641ME11991772.250.000.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.243ME11991782.250.000.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.242999ME11991812.250.000.00
PE(22:0/0:0)ME11991762.250.000.00
PE(19:0/19:0)[U]ME11991592.250.000.00
PE(15:0/16:0)[U]ME11991542.250.000.00
PE(13:0/0:0)ME11991522.250.000.00
p-CoumaroylagmatineME11991482.250.000.00
PaucinME11991472.250.000.00
Pantothenic Acid Esi-2.43ME11991412.250.000.00
Pandaroside BME11991392.250.000.00
PanasenosideME11991372.250.000.00
PA(22:2(13Z,16Z)/20:0) Esi-17.563997ME11991222.250.000.00
PA(22:2(13Z,16Z)/20:0)ME11991232.250.000.00
PA(18:3(9Z,12Z,15Z)/0:0) Esi-15.619001ME11991182.250.000.00
PA(13:0/18:3(6Z,9Z,12Z))ME11991172.250.000.00
OxadiazonME11991082.250.000.00
Oxaburimamide Esi-3.28ME11991072.250.000.00
OxaburimamideME11991062.250.000.00
Oseltamivir Esi-12.221ME11991042.250.000.00
OryzalinME11991002.250.000.00
Omphalotin AME11990982.250.000.00
Okanin 4^-alpha-L-arabinofuranosyl-(1-4)-glucosideME11990892.250.000.00
Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl esterME11990842.250.000.00
Ochrolifuanine AME11990812.250.000.00
O-Acetylcypholophine Esi-19.113197ME11990802.250.000.00
N-tryptophanyl-35-aminobacteriohopane-32,33,34-triolME11990732.250.000.00
N-stearoyl tryptophanME11990722.250.000.00
N-stearoyl prolineME11990702.250.000.00
NPCME11990652.250.000.00
N-palmitoyl tryptophanME11990642.250.000.00
N-palmitoyl phenylalanineME11990632.250.000.00
Nostoxanthin sulfate Esi-17.429855ME11990572.250.000.00
n,n^-dinitrosopiperazineME11989552.250.000.00
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi-15.294001ME11989542.250.000.00
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanineME11989532.250.000.00
Nevadensin 5-gentiobiosideME11990272.250.000.00
NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)ME11990252.250.000.00
NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11990232.250.000.00
Neu5Gc?2-3Gal?1-4Glc?-SpME11990212.250.000.00
Neotame Esi-9.581ME11990182.250.000.00
Neocarzinostatin chromophoreME11990172.250.000.00
Neoarctin B Esi-19.156ME11990132.250.000.00
Neoannonin BME11990122.250.000.00
NelfinavirME11990092.250.000.00
N-docosahexaenoyl glutamic acid Esi-12.854999ME11990052.250.000.00
N-(diphenylmethylene) Glycine benzyl esterME11989512.250.000.00
N-Desmethylmifepristone (RU 42633)ME11990012.250.000.00
N-Desethylquinagolide sulfate Esi-19.12ME11990002.250.000.00
N-DeacetylketoconazoleME11989962.250.000.00
Nb-PalmitoyltryptamineME11989932.250.000.00
NarbomycinME11989902.250.000.00
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoyl-N^^-diethylethylenediamine Esi-19.133572ME11989892.250.000.00
Na-p-Hydroxycoumaroyltryptophan Esi-17.591ME11989852.250.000.00
Nandrolone decanoateME11989832.250.000.00
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysineME11989802.250.000.00
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) Esi-9.168876ME11989402.250.000.00
N-(3-pyridyl)-Indomethacin amideME11989492.250.000.00
N3^-AcetylapramycinME11989712.250.000.00
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2-yl)-guanidineME11989582.250.000.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine Esi-23.576998ME11989462.250.000.00
N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidineME11989642.250.000.00
N1,N5,N10,N14-Tetra-trans-p-coumaroylspermineME11989612.250.000.00
N1,N4-DiacetylsulfanilamideME11989602.250.000.00
N1-AcetylthermospermidineME11989682.250.000.00
Myricanol 5-(6-galloylglucoside) Esi-5.625ME11989322.250.000.00
Myricanol 5-(6-galloylglucoside)ME11989332.250.000.00
Mycalolide BME11989302.250.000.00
MuricatenolME11989252.250.000.00
MuricatalinME11989242.250.000.00
Mulberrofuran SME11989202.250.000.00
Mulberrofuran PME11989192.250.000.00
MoxifloxacinME11989182.250.000.00
MonocrotalineME11989112.250.000.00
MomordicilinME11989102.250.000.00
MIPC(t20:0/24:0(2OH))ME11989072.250.000.00
MIPC(t20:0/20:0(2OH)) Esi-15.387999ME11989042.250.000.00
MIPC(t20:0/20:0(2OH)) Esi-15.387ME11989062.250.000.00
MIPC(t20:0/18:0(2OH))ME11989032.250.000.00
M(IP)2C(d18:0/16:0)ME11987882.250.000.00
Minabeolide-7ME11988962.250.000.00
MG(22:1(13Z)/0:0/0:0)ME11988872.250.000.00
MG(18:2(9Z,12Z)/0:0/0:0)[rac] Esi-19.755ME11988852.250.000.00
MezereinME11988812.250.000.00
Met Pro MetME11988412.250.000.00
Methyl salicylate O-[rhamnosyl-(1-6)-glucoside]ME11988742.250.000.00
Methyl hydrogen fumarate Esi-0.8059999ME11988692.250.000.00
Methyl hydrogen fumarateME11988702.250.000.00
Methyl 3,4,5-trimethoxycinnamateME11988602.250.000.00
MethoxychlorME11988582.250.000.00
Met Glu TrpME11988392.250.000.00
Met Arg HisME11988372.250.000.00
MerphalanME11988342.250.000.00
Melizame Esi-19.399ME11988302.250.000.00
Melilotoside CME11988292.250.000.00
Megalomicin C1 Esi-14.65ME11988252.250.000.00
Megalomicin C1ME11988242.250.000.00
Megalomicin B Esi-13.776ME11988222.250.000.00
Megalomicin BME11988232.250.000.00
MefrusideME11988212.250.000.00
Mayolene-16 Esi-16.897999ME11988082.250.000.00
Mayolene-16ME11988062.250.000.00
Mauritine AME11988052.250.000.00
Matesaponin 3ME11988042.250.000.00
Macrocarpal CME11987922.250.000.00
Macaflavone IIME11987902.250.000.00
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) Esi-14.047751ME11987822.250.000.00
LysoPE(0:0/18:0) Esi-14.043ME11987792.250.000.00
Lys Leu SerME11987652.250.000.00
LuteoskyrinME11987552.250.000.00
LumiracoxibME11987512.250.000.00
Lucyoside KME11987502.250.000.00
Losartan N2-glucuronideME11987462.250.000.00
Lividomycin B Esi-15.033ME11987412.250.000.00
Lividomycin BME11987402.250.000.00
Lithocholic acid taurine conjugate Esi-13.262ME11987332.250.000.00
Liriodenine Esi-1.872ME11987292.250.000.00
Lipoxin C4ME11987242.250.000.00
Linoleyl arachidonateME11987232.250.000.00
Leukotriene B4-3-aminopropylamide Esi-17.563002ME11987062.250.000.00
Leonoside BME11986932.250.000.00
Lauryl hydrogen sulfate Esi-23.736ME11986872.250.000.00
Laurencione diacetateME11986822.250.000.00
Lacto-N-fucoheptaoseME11986682.250.000.00
LacCer(d18:0/26:1)ME11986662.250.000.00
Lablaboside FME11986652.250.000.00
Kuwanon RME11986602.250.000.00
Kuwanol E Esi-15.122ME11986592.250.000.00
Kurilensoside JME11986572.250.000.00
Kni 102 Esi-17.123ME11986512.250.000.00
Kni 102 Esi-13.425002ME11986542.250.000.00
KiwiionosideME11986492.250.000.00
KetoconazoleME11986402.250.000.00
KetanserinolME11986392.250.000.00
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)ME11986372.250.000.00
Kanokoside D Esi-15.083ME11986332.250.000.00
KalbreclasineME11986322.250.000.00
JWH213ME11986312.250.000.00
JWH 200-d5ME11986262.250.000.00
JWH 073 N-(4-hydroxybutyl) metabolite-d5 Esi-6.25ME11986202.250.000.00
JWH 073 N-(4-hydroxybutyl) metabolite-d5ME11986212.250.000.00
JNJ-10198409ME11986152.250.000.00
Janthitrem C Esi-15.099999ME11986122.250.000.00
Janthitrem C Esi-14.834ME11986132.250.000.00
Jamaicamide AME11986042.250.000.00
Jadomycin BME11986032.250.000.00
Istamycin KL1ME11985952.250.000.00
Istamycin C0 Esi-16.0415ME11985912.250.000.00
Istamycin C0 Esi-15.586999ME11985922.250.000.00
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) Esi-20.356ME11985852.250.000.00
Isoorientin 6^^-O-alpha-L-arabinosideME11985772.250.000.00
Isomorellic acidME11985762.250.000.00
Isoferulic acid 3-sulfateME11985742.250.000.00
isepamicinME11985702.250.000.00
IriediolME11985692.250.000.00
IntegerrineME11985672.250.000.00
Indolelactic acidME11985602.250.000.00
IndinavirME11985592.250.000.00
Ile Phe IleME11985532.250.000.00
Ile Lys Lys Esi-18.367002ME11985512.250.000.00
Ile Lys LysME11985522.250.000.00
Ile-lle-OHME11985552.250.000.00
HydroxymelphalanME11985412.250.000.00
HydramethylnonME11985402.250.000.00
Horhammericine Esi-18.71ME11985342.250.000.00
HorhammericineME11985352.250.000.00
HomodihydrocapsaicinME11985312.250.000.00
HMB-Val-Ser-Leu-VE Esi-5.619ME11985282.250.000.00
HMB-Val-Ser-Leu-VEME11985262.250.000.00
HMBOA-GlcME11985252.250.000.00
His Trp SerME11985182.250.000.00
His Met LysME11985162.250.000.00
His Lys HisME11985102.250.000.00
His Lys AspME11985092.250.000.00
His Ile GlnME11985072.250.000.00
His His HisME11985062.250.000.00
His His CysME11985052.250.000.00
His Arg AlaME11985032.250.000.00
Hexahydro-2^,3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3^(2^H)-furan]ME11985022.250.000.00
Hericene BME11984992.250.000.00
Hedamycin Esi-15.987ME11984972.250.000.00
HedamycinME11984962.250.000.00
HaplophytineME11984932.250.000.00
GymnodimineME11984902.250.000.00
GW 6471 Esi-13.727ME11984862.250.000.00
GW 3965ME11984832.250.000.00
Goserelin Esi-14.011ME11984732.250.000.00
GnididinME11984702.250.000.00
Glyceryl lactooleateME11984612.250.000.00
Glycerol triundecanoate Esi-14.857001ME11984602.250.000.00
Glycerol triundecanoateME11984592.250.000.00
Gly Asp ValME11984502.250.000.00
Glu Thr ThrME11984452.250.000.00
Glu Pro ThrME11984432.250.000.00
Glu Ile ArgME11984332.250.000.00
GlucoconringiinME11984482.250.000.00
Glu Arg PheME11984262.250.000.00
Gln Phe IleME11984212.250.000.00
Gln Asn SerME11984162.250.000.00
Glibornuride M2 (p-carboxyglibornuride)ME11984112.250.000.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-16.559ME11984082.250.000.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.850999ME11984062.250.000.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) Esi-14.669ME11984042.250.000.00
Glc-GP(18:0/18:0)ME11984012.250.000.00
GlcCer(d16:1/18:0) Esi-23.399ME11983962.250.000.00
Glabrachromene IIME11983932.250.000.00
Ginsenoyne L Esi-9.911ME11983922.250.000.00
Gibberellin A3ME11983822.250.000.00
Garciduol B Esi-18.406ME11983782.250.000.00
Ganoderic acid FME11983742.250.000.00
Ganglioside GM3 (d18:1/14:0)ME11983732.250.000.00
Ganglioside GM3 (d18:0/26:0)ME11983712.250.000.00
Ganglioside GM3 (d18:0/12:0)ME11983682.250.000.00
Ganglioside GM2 (d18:0/24:1(15Z))ME11983642.250.000.00
Ganglioside GM2 (d18:0/22:1(13Z))ME11983632.250.000.00
Gamma-glutamyl-AlanineME11983502.250.000.00
Gambieric acid B Esi-15.449ME11983452.250.000.00
Gambieric acid B Esi-15.044999ME11983472.250.000.00
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0)ME11983422.250.000.00
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))ME11983412.250.000.00
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)ME11983402.250.000.00
GalNAc?1-4GlcNAc?-SpME11983382.250.000.00
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp Esi-14.18ME11983362.250.000.00
Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11983242.250.000.00
Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)ME11983302.250.000.00
Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0)ME11983282.250.000.00
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.280001ME11983272.250.000.00
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0)ME11983252.250.000.00
G?6983ME11983202.250.000.00
FutalosineME11983192.250.000.00
FucoxanthinolME11983152.250.000.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))ME11983102.250.000.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.553ME11983132.250.000.00
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))ME11983112.250.000.00
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)ME11983072.250.000.00
FormoterolME11982932.250.000.00
Formononetin 7-O-glucuronideME11982922.250.000.00
FomylciprofloxacinME11982912.250.000.00
(-)-FolicanthineME11970062.250.000.00
Folic acidME11982882.250.000.00
FluvastatinME11982832.250.000.00
Fluprostenol methyl ester Esi-17.805ME11982822.250.000.00
FlunisolideME11982732.250.000.00
Flumiclorac pentylME11982712.250.000.00
FlindersiachromoneME11982672.250.000.00
Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside]ME11982662.250.000.00
Feruloyl-2-hydroxyputrescineME11982632.250.000.00
Ferulic acidME11982622.250.000.00
FerrichromeME11982612.250.000.00
FenoldopamME11982582.250.000.00
Fenirofibrate Esi-0.83699995ME11982572.250.000.00
Ezetimibe Esi-18.233ME11982502.250.000.00
EzetimibeME11982512.250.000.00
EUK 118ME11982482.250.000.00
Etidocaine Esi-19.356ME11982402.250.000.00
ETFME11982252.250.000.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetateME11982222.250.000.00
Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphateME11982212.250.000.00
(E)-SquamosamideME11970712.250.000.00
Esmeraldin BME11982202.250.000.00
Equilin sulfateME11982122.250.000.00
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoateME11982102.250.000.00
ElaiophylinME11982042.250.000.00
E-64d Esi-9.478ME11981992.250.000.00
E-64cME11981952.250.000.00
(E)-2-Methylglutaconic acidME11970702.250.000.00
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene Esi-5.559ME11970682.250.000.00
dTDP-4-oxo-5-C-methyl-L-rhamnoseME11981882.250.000.00
Dolastatin 11ME11981832.250.000.00
DMABA-d4 NHS esterME11981782.250.000.00
DL-PPMPME11981732.250.000.00
DitalimfosME11981672.250.000.00
DistemonanthinME11981652.250.000.00
Dipyridamole Esi-13.513ME11981632.250.000.00
DipyridamoleME11981622.250.000.00
Diphenylphosphine isopropyl esterME11981602.250.000.00
Dioscoreside C Esi-13.767999ME11981582.250.000.00
Diosbulbinoside FME11981562.250.000.00
Dihydrojasmonic Acid, Methyl Ester Esi-10.78ME11981412.250.000.00
Dihydrojasmonic Acid, Methyl EsterME11981422.250.000.00
Dihydrocodeine-6-glucuronide Esi-12.849ME11981382.250.000.00
Dihydrocaffeic acid 3-O-glucuronideME11981352.250.000.00
Dihydro-2(3H)-thiophenoneME11981342.250.000.00
DifenacoumME11981292.250.000.00
Diethyl succinateME11981272.250.000.00
DIDS Esi-19.112ME11981242.250.000.00
DIDSME11981252.250.000.00
dIDPME11981232.250.000.00
Didodecyl thiobispropanoateME11981212.250.000.00
Dictyoquinazol BME11981172.250.000.00
Dibenz[c,h]acridine Esi-14.184999ME11981102.250.000.00
D(-)-?-hydroxy butyric acidME11980352.250.000.00
D-Glucosyldihydrosphingosine Esi-16.563997ME11981042.250.000.00
D-Glucosyldihydrosphingosine Esi-16.525ME11981032.250.000.00
DG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]ME11981012.250.000.00
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi-17.803ME11980972.250.000.00
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.384ME11980952.250.000.00
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]ME11980942.250.000.00
DG(14:0/17:0/0:0)[iso2] Esi-21.095ME11980832.250.000.00
Dexamethasone phosphateME11980792.250.000.00
DesmethylnimodipineME11980762.250.000.00
Desmethyldescarbamoylnovobiocin Esi-13.859ME11980742.250.000.00
DermorphinME11980682.250.000.00
Deoxyadenosine monophosphate Esi-0.845ME11980632.250.000.00
DemethylisoalangisideME11980602.250.000.00
DelphinineME11980552.250.000.00
DebromohymenialdisineME11980522.250.000.00
Deacetylcephalosporin CME11980492.250.000.00
D-CamphorsulfonateME11980462.250.000.00
Daucic acid Esi-0.78700006ME11980432.250.000.00
DAT(19:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S]))ME11980402.250.000.00
DalfopristinME11980392.250.000.00
Cytochalasin Npho Esi-16.317ME11980322.250.000.00
Cys Tyr PheME11980242.250.000.00
Cys Arg PheME11980182.250.000.00
CynometrineME11980172.250.000.00
Cynarasaponin F Esi-9.563ME11980152.250.000.00
Cynarasaponin FME11980162.250.000.00
CyflumetofenME11980142.250.000.00
Cyflufenamid Esi-3.2620006ME11980132.250.000.00
CyclothiazideME11980102.250.000.00
Cyclosporin AME11980092.250.000.00
Cyclocalopin D Esi-9.411ME11980042.250.000.00
Cyclocalopin DME11980052.250.000.00
Cyclobuxine D Esi-19.101ME11980022.250.000.00
CUDAME11979932.250.000.00
CP 80633ME11979892.250.000.00
CortisoneME11979872.250.000.00
CortisolME11979852.250.000.00
Coproporphyrinogen IME11979822.250.000.00
Congmunoside XME11979802.250.000.00
Cohibin BME11979762.250.000.00
ClomipramineME11979712.250.000.00
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))ME11979682.250.000.00
CL(1^-[15:0/15:0],3^-[15:0/16:1(9Z)])[rac]ME11979652.250.000.00
Citbismine DME11979622.250.000.00
Citalopram-N-OxideME11979612.250.000.00
CimetidineME11979512.250.000.00
Chrysosplenol FME11979492.250.000.00
Cholic acid glucuronide Esi-14.197ME11979452.250.000.00
Cholic acid glucuronideME11979472.250.000.00
Cer(d18:1/24:1(15Z)) Esi-23.768ME11979232.250.000.00
Cer(d16:2(4E,6E)/20:1(11Z))ME11979202.250.000.00
Cer(d15:1/24:0) Esi-23.756ME11979162.250.000.00
Ceranib-2ME11979252.250.000.00
CeftriaxoneME11979132.250.000.00
CDP-DG(18:0/22:3(10Z,13Z,16Z))ME11979102.250.000.00
CB3717ME11979092.250.000.00
CAY10470 Esi-18.841997ME11979002.250.000.00
CAY10448ME11978982.250.000.00
CAY10441ME11978972.250.000.00
CascarillinME11978922.250.000.00
CarvedilolME11978912.250.000.00
CartorminME11978902.250.000.00
CarindacillinME11978822.250.000.00
CarapanaubineME11978792.250.000.00
Campesteryl ferulateME11978722.250.000.00
Caffeoyl aspartic acidME11978642.250.000.00
C-6 NBD Ceramide Esi-16.093637ME11978612.250.000.00
C22 SulfatideME11978582.250.000.00
BW 723C86ME11978552.250.000.00
BufotalinME11978462.250.000.00
Brompheniramine (monodemethylated)ME11978432.250.000.00
BromocriptineME11978402.250.000.00
Brianthein XME11978362.250.000.00
Botrydial Esi-14.114ME11978342.250.000.00
Boc-Phe(NMe)-Gly-OMeME11978312.250.000.00
Blumenol C O-[rhamnosyl-(1-6)-glucoside]ME11978292.250.000.00
Bispyribac Esi-1.513ME11978242.250.000.00
Bismurrayafoline E Esi-15.327252ME11978222.250.000.00
Bismurrayafoline EME11978212.250.000.00
BiocytinME11978142.250.000.00
Bilirubin-glucuronosideME11978132.250.000.00
BIBF 1120ME11978072.250.000.00
BIBB 515ME11978062.250.000.00
BestatinME11978042.250.000.00
Benzyl beta-primeverosideME11978022.250.000.00
BenzotrichlorideME11978012.250.000.00
Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoateME11977982.250.000.00
BensultapME11977932.250.000.00
BenperidolME11977922.250.000.00
Beiwutine Esi-14.055ME11977822.250.000.00
bayogeninME11977792.250.000.00
BatrachotoxinME11977782.250.000.00
Basellasaponin BME11977772.250.000.00
BaliosperminME11977742.250.000.00
Balagyptin Esi-11.428ME11977712.250.000.00
BalagyptinME11977722.250.000.00
BacteriorubixanthinalME11977702.250.000.00
AzoxystrobinME11977632.250.000.00
AzIVME11977622.250.000.00
Azimsulfuron Esi-20.36ME11977612.250.000.00
AzimsulfuronME11977602.250.000.00
Avocadene acetate Esi-18.514ME11977552.250.000.00
Austalide IME11977472.250.000.00
Asp Val LysME11977292.250.000.00
Asp Phe TrpME11977252.250.000.00
Aspecioside Esi-24.107ME11977322.250.000.00
Asn Asp CysME11977162.250.000.00
AS-1269574ME11977122.250.000.00
Artocommunol CAME11977082.250.000.00
Aromatized deshydroxy-C-1027 chromophoreME11977072.250.000.00
Arg Tyr ArgME11976972.250.000.00
Arg Trp Phe Esi-13.224999ME11976942.250.000.00
Arg Phe PheME11976912.250.000.00
Argiopinin IIIME11977032.250.000.00
Arachidonoyl Glycine-d8 Esi-19.351ME11976802.250.000.00
Arachidonoyl Glycine-d8 Esi-19.229002ME11976792.250.000.00
Arachidonoyl Glycine-d8 Esi-19.228ME11976782.250.000.00
AprobarbitalME11976762.250.000.00
ApovincamineME11976752.250.000.00
Antillatoxin B (red color) Esi-15.468799ME11976722.250.000.00
Antillatoxin B (red color) Esi-14.678ME11976712.250.000.00
Antillatoxin B (red color)ME11976732.250.000.00
AnigorootinME11976702.250.000.00
Anhydroicaritin 3-(6^^^-acetylgalactosyl)(1-3)-rhamnoside-7-glucosideME11976692.250.000.00
Amphibine H Esi-15.1ME11976622.250.000.00
Amphibine AME11976602.250.000.00
Ambrettolic acidME11976522.250.000.00
AM251ME11976482.250.000.00
Aluminum acetateME11976452.250.000.00
(+/-)-alpha-Hydroxyisovaleric acid Esi-1.936ME11970202.250.000.00
all-trans-Carophyll yellowME11976382.250.000.00
AliskirenME11976372.250.000.00
AlhagidinME11976362.250.000.00
a-L-Arabinofuranosyl-(1-3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinoseME11976332.250.000.00
Ala Glu TrpME11976262.250.000.00
AL 6598ME11976242.250.000.00
AdiantifolineME11976212.250.000.00
Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanineME11976192.250.000.00
Acutoside BME11976172.250.000.00
ACS 67ME11976142.250.000.00
AcidissiminolME11976102.250.000.00
Acetylsoyasaponin A3 Esi-15.020002ME11976092.250.000.00
AB005 Esi-18.463ME11976022.250.000.00
AB005ME11976032.250.000.00
9-Methyl-7-bromoeudistomin DME11975932.250.000.00
9-Anthroic acidME11975902.250.000.00
9,10-dibromo-stearic acidME11975862.250.000.00
8-Prenylquercetin 7,4^-dimethyl ether 3-rhamnosyl-(1-4)-rhamnosideME11975832.250.000.00
8-Prenylkaempferol 4^-methyl ether 3-[4^^^-,6^^^-diacetylglucosyl-(1-3)-4^^-acetylrhamnoside]ME11975822.250.000.00
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside]ME11975812.250.000.00
8-oxo-dGDPME11975762.250.000.00
8-Hydroxyluteolin 7-[6^^^-acethylallosyl-(1-2)-3^^-acetylglucoside]ME11975742.250.000.00
8?-Hydroxycarapin, 3,8-HemiacetalME11975682.250.000.00
7R-hydroxy-hexadecanoic acidME11975672.250.000.00
7-Hydroxyriluzole Esi-0.95457155ME11975642.250.000.00
7-Hydroxylevomepromazine Esi-18.838ME11975632.250.000.00
7-bromo-5-heptynoic acidME11975592.250.000.00
7,8,7^,8^-Tetradehydroastaxanthin Esi-17.003ME11975532.250.000.00
6-Hydroxyondansetron glucuronideME11975422.250.000.00
6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-oneME11975242.250.000.00
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-14.769ME11975332.250.000.00
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C Esi-13.725ME11975322.250.000.00
6-Cyano-7-nitroquinoxaline-2,3-dioneME11975302.250.000.00
6-Bromo-5E,9Z,13Z-docosatrienoic acidME11975282.250.000.00
5-HydroxymethyldeoxycytidylateME11975142.250.000.00
5-Fluorodeoxyuridine monophosphateME11975102.250.000.00
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1H-benzimidazoleME11974892.250.000.00
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 29676ME11975092.250.000.00
5beta-scymnol sulfateME11975072.250.000.00
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-10.625ME11975052.250.000.00
5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dioneME11975022.250.000.00
5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362ME11975002.250.000.00
5b-Cholestane-3a,7a,12a,24,25-pentolME11975012.250.000.00
5a-Cholestane-3a,7a,12a,25-tetrolME11974972.250.000.00
5,7,3^,4^-Tetrahydroxy-3,6,5^-trimethoxyflavoneME11974922.250.000.00
5^^-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-D-xylopyranosideME11974882.250.000.00
5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acidME11974852.250.000.00
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-oneME11974862.250.000.00
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside)ME11974782.250.000.00
4^-O-MethylglucoliquiritigeninME11974772.250.000.00
4^-O-Methyl-(-)-epicatechin-7-O-sulphateME11974762.250.000.00
(4OH,8Z,t18:1) sphingosineME11970612.250.000.00
4-(Methylthio)-1-butanolME11974432.250.000.00
4-Glucogallic acidME11974662.250.000.00
4-Fluoro-L-threonineME11974642.250.000.00
4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphateME11974562.250.000.00
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic AcidME11974552.250.000.00
4-Amino-2-nitrophenolME11974532.250.000.00
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]ME11974412.250.000.00
4,4^-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]ME11974452.250.000.00
4,4^^-bis(N-feruloyl)serotoninME11974472.250.000.00
3R-hydroxy-eicosanoic acidME11974372.250.000.00
3-oxoglutaric acidME11974342.250.000.00
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanoneME11974232.250.000.00
3-Mercaptohexyl hexanoate Esi-10.98ME11974182.250.000.00
3-(Isothiocyanatomethyl)-1-methoxy-1H-indoleME11973502.250.000.00
3-Hydroxy-L-proline Esi-0.955ME11974132.250.000.00
3^-HydroxyIndinavirME11974112.250.000.00
3-Formylrifampin Esi-14.060999ME11974042.250.000.00
3-FormylrifampinME11974052.250.000.00
3^-Deoxystreptomycin 3^^-phosphate Esi-13.791ME11974022.250.000.00
3-Deoxy-D-manno-octulosonate Esi-1.309ME11973962.250.000.00
3-Deoxy-D-manno-octulosonate 8-phosphateME11973982.250.000.00
3^-DemethylstaurosporineME11973952.250.000.00
3-Demethylsimmondsin 2^-(Z)-ferulateME11973932.250.000.00
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olideME11973902.250.000.00
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triolME11970592.250.000.00
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triolME11970582.250.000.00
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-olME11970562.250.000.00
3b,15b,17a-Trihydroxy-pregnenoneME11973832.250.000.00
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acidME11973772.250.000.00
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-16.144ME11973642.250.000.00
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acidME11973612.250.000.00
35-aminobacteriohopane-31,32,33,34-tetrolME11973752.250.000.00
3,5,6-Trihydroxy-3^,4^,7-trimethoxyflavone 3-glucuronideME11973602.250.000.00
3,4-Methylenedioxybenzoic acidME11973592.250.000.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015ME11973722.250.000.00
34:6(16Z,19Z,22Z,25Z,28Z,31Z)ME11973732.250.000.00
3,3^-Dichloro-4,4^-diaminodiphenyl etherME11973542.250.000.00
3,3^-BisanigorufoneME11973532.250.000.00
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanolME11973672.250.000.00
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrolME11970492.250.000.00
2-trans,6-cis-farnesyl diphosphateME11973472.250.000.00
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranoside]ME11970482.250.000.00
2-Propylglutaric acidME11973452.250.000.00
2-Phthalimidoglutaric acidME11973442.250.000.00
2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acidME11973382.250.000.00
2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52ME11973362.250.000.00
2-Naphthaleneacetic acid, 6-(sulfooxy)-ME11973372.250.000.00
2-Methyl-4-oxopentanedioic acid Esi-1.251ME11973352.250.000.00
2-Keto valeric acidME11973332.250.000.00
2-hydroxy-tricosanoic acid Esi-21.992998ME11973302.250.000.00
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoateME11973252.250.000.00
2-Hydroxy-24-keto-octacosanolideME11973232.250.000.00
2-Hydroxy-22-methyltetracosanoic acidME11973202.250.000.00
2-Heptenedioic acid, 4-oxo-ME11973192.250.000.00
2-demethylmenaquinone-8ME11973082.250.000.00
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinoneME11973072.250.000.00
2-C-Methyl-D-erythritol 4-phosphateME11973062.250.000.00
2-Chloro-1,1,2-trifluoroethyl ethyl etherME11973032.250.000.00
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketoneME11970442.250.000.00
2-Acetolactic acid Esi-21.026ME11972852.250.000.00
29:2(5Z,9Z)(6Br) Esi-14.901ME11972832.250.000.00
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamineME11972212.250.000.00
26-HydroxybrassinolideME11972782.250.000.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.567ME11972772.250.000.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.547ME11972762.250.000.00
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.06ME11972752.250.000.00
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.429ME11972702.250.000.00
26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferolME11972692.250.000.00
25-Hydroxycholecalciferol (25-hydroxyvitamin D3)ME11972682.250.000.00
24-methylene-cholesterol sulfateME11972672.250.000.00
(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acidME11970332.250.000.00
2,4,5-Trichlorophenoxyacetic Acid, Isooctyl EsterME11972432.250.000.00
2,4,5,6-PhenanthrenetetrolME11972422.250.000.00
24,25-DiacetylvulgarosideME11972632.250.000.00
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferolME11972622.250.000.00
24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferolME11972612.250.000.00
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferolME11970312.250.000.00
22-Oxo-docosanoate Esi-20.011ME11972582.250.000.00
22-Oxo-docosanoate Esi-19.509ME11972572.250.000.00
22-Oxo-docosanoateME11972592.250.000.00
22-epi-Hippurin-1ME11972552.250.000.00
(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferolME11970282.250.000.00
22-Acetylpriverogenin BME11972542.250.000.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.373375ME11972302.250.000.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.11475ME11972282.250.000.00
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-18.394ME11972292.250.000.00
(20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferolME11970272.250.000.00
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acidME11970262.250.000.00
1-Phenyl-1,3-octadecanedione Esi-19.642ME11972142.250.000.00
1-Phenyl-1,3-octadecanedioneME11972152.250.000.00
1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetraolME11971102.250.000.00
1-O-[2^^-sulfo-alpha-D-Mannosyl -1^^-2^-alpha-D-Glucosyl]-sn-2,3-di-O-phytanylglycerolME11972092.250.000.00
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferolME11971342.250.000.00
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolineME11971962.250.000.00
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diolME11971272.250.000.00
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001ME11971072.250.000.00
17-trifluoromethylphenyl trinor PGF2?ME11971872.250.000.00
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2?ME11971892.250.000.00
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionateME11971832.250.000.00
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diolME11971812.250.000.00
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trioneME11970222.250.000.00
17,20-Hexacosadienoic acidME11971782.250.000.00
16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acidME11971762.250.000.00
15(S)-15-methyl PGF2? isopropyl esterME11971662.250.000.00
1-(5^-Phosphoribosyl)-5-formamido-4-imidazolecarboxamideME11971032.250.000.00
1,4-beta-D-GlucanME11971242.250.000.00
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)ME11971232.250.000.00
14,19-Dihydroaspidospermatine Esi-19.115ME11971612.250.000.00
14,19-DihydroaspidospermatineME11971622.250.000.00
14,14,14-Trifluoro-11E-tetradecenyl acetateME11971572.250.000.00
13-DihydrocarminomycinME11971562.250.000.00
1,2-Glyceryl dinitrate Esi-1.2638462ME11971182.250.000.00
1,2-Distearoyl phosphatidyl serineME11971162.250.000.00
1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferolME11971302.250.000.00
1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a-homo-22-thia-20-epicholecalciferolME11971292.250.000.00
11-O-Demethylpradimicinone II Esi-1.17ME11971412.250.000.00
11-O-Demethylpradimicinone IIME11971422.250.000.00
1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamineME11970972.250.000.00
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetateME11971392.250.000.00
7-HydroxyriluzoleME11975652.140.000.18
S-Methyl benzenecarbothioateME11995572.160.000.15
ScriptaidME11995341.940.000.50
Tiamulin Esi-14.037498ME11996861.920.000.53
NorfuraneolME11990552.010.000.39
Latrunculin AME11986812.040.000.34
Dexamethasone phosphate Esi-18.227526ME11980802.050.000.31
Methyl hydrogen fumarate Esi-0.81276923ME11988712.060.000.30
LycoctonineME11987560.240.832.39
MG(18:2(9Z,12Z)/0:0/0:0)[rac]ME11988860.230.742.49
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)ME11988820.370.492.52
Ala Glu Trp Esi-18.232277ME11976270.410.662.29
MebrofeninME11988170.530.442.32
RutaecarpineME11995040.131.162.23
PE(13:0/0:0) Esi-8.8502ME11991530.001.252.35
Tephrowatsin B Esi-19.386663ME11996180.001.272.33
PS(18:2(9Z,12Z)/0:0)ME11994140.001.312.29
16:1 Campesteryl esterME11971710.001.362.24
1,2-Di(2-pyridyl)ethyleneME11971140.001.342.26
Ganodermic acid TQ Esi-23.747498ME11983760.001.342.26
DiclobutrazolME11981160.000.662.94
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- Esi-16.603848ME11993600.000.932.67
AnhwiedelphinineME11976680.000.862.74
PE-Cer(d14:2(4E,6E)/16:0(2OH))ME11992010.000.892.71
N,N^-Diphenyl-p-phenylenediamineME11989570.001.122.48
TyrMe-Ile-OHME11997690.001.052.55
Mayolene-16 Esi-21.803219ME11988070.001.012.59
N-linolenoyl-glutamine Esi-10.548ME11990410.001.012.59
Cyclobuxine DME11980030.001.492.11
3beta-Fluoro-5alpha-androstan-17beta-olME11973890.001.492.11
6-DesmethylprazosinME11975380.001.492.11
TepraloxydimME11996200.001.532.07
4-PhenylpyridineME11974820.001.512.09
S-(p-Azidophenacyl)glutathione Esi-0.6489999ME11995100.001.522.08
Didodecyl thiobispropanoate Esi-19.048002ME11981220.001.602.00
JaceidinME11986020.001.592.01
(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanoneME11970920.001.592.01
Uniconazole PME11997800.001.572.03
Lesquerolic acid Esi-18.764057ME11986950.001.552.05
Integerrenine Esi-13.511475ME11985660.001.562.04
RiddellineME11994890.001.562.04
PI(O-16:0/0:0)ME11993260.081.591.88
R-L3ME11994980.061.601.91
3-Vinylbacteriochlorophyllide dME11974400.001.701.90
NVP-BEZ235ME11990770.001.691.91
(22E,24R)-Stigmasta-4,22-diene-3,6-dioneME11970290.001.691.91
Fluvastatin Esi-19.509502ME11982840.001.691.91
2,3-dihydrothieno-Thiadiazole CarboxylateME11972390.001.681.92
ZuclopenthixolME11998400.001.681.92
His Met GluME11985150.001.631.97
(S)-Batatic acidME11970840.001.621.98
DG(17:2(9Z,12Z)/20:2(11Z,14Z)/0:0)[iso2]ME11980990.001.641.96
Leukotriene B4-3-aminopropylamide Esi-11.71ME11987100.001.651.95
PS(18:0/19:0)[U] Esi-14.772738ME11994100.001.651.95
7?-(Thiomethyl)spironolactone Esi-19.928175ME11975550.001.751.85
Fortimicin AP Esi-10.715143ME11982980.001.741.86
BM 567ME11978300.001.741.86
2-APBME11972960.001.741.86
3-Methyl-2-thiohydantoin Esi-0.82217646ME11974200.001.741.86
Glucoheptonic acidME11984490.001.761.84
TOFAME11997010.001.771.83
5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675ME11974960.001.771.83
Palmitic acidME11991310.001.771.83
Acetic anhydride Esi-0.8806667ME11976060.001.781.82
Tetrahydrocortisone Esi-14.0164995ME11996370.001.781.82
Myxochelin BME11989380.001.831.77
Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acidME11990830.001.821.77
Thr Lys SerME11996800.001.821.78
6-HydroxysandoricinME11975430.001.821.78
PGF2?-11-acetate methyl esterME11992510.001.821.78
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucosideME11975220.001.811.79
JWH145ME11986300.001.811.79
b-D-Glucopyranosiduronic acid, 3-(6-methoxy-2-naphthalenyl)-1-methylpropylME11977810.001.801.80
LaserpitinME11986760.001.801.80
His Leu LysME11985080.001.881.72
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenolME11972510.001.851.75
N1,N5,N10-Triferuloyl spermidineME11989620.001.851.75
TrifluoperazineME11997210.001.861.74
Euchrenone b5ME11982470.001.861.74
Propicillan Esi-0.9485713ME11993890.001.861.74
Ganglioside GD3 (d18:0/20:0)ME11983510.161.851.50
16?-Hydroxy-17-epistanozololME11971720.002.061.54
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))ME11991910.002.041.56
Pro Glu Glu Esi-18.266575ME11993680.031.981.57
Gln Pro ProME11984240.002.021.58
Phenylephrine 3-O-sulfateME11992810.002.021.58
Beiwutine Esi-13.659631ME11977830.002.001.60
Deoxynojirimycin Tetrabenzyl Ether Esi-9.348715ME11980650.001.991.61
(-)-NeolinderatinME11970100.001.911.69
Phe Arg Arg Esi-13.995496ME11992570.001.941.66
Pyriminobac-methylME11994550.001.941.66
Zymonic acidME11998430.001.961.64
BluensidineME11978260.001.971.63
Tyr Val IleME11997660.001.971.63
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)ME11983080.002.850.75
Descladinosyl-6-O-methylerythromycinME11980710.382.130.87
Bisindolylmaleimide IV Esi-9.834455ME11978190.002.301.30
Ganglioside GM3 (d18:0/25:0)ME11983690.002.291.31
(R)C(R)S-S-Propylcysteine sulfoxide Esi-4.974923ME11970780.002.291.31
FolpetME11982890.002.351.25
NeferineME11990080.002.331.27
Lovastatin acid (Mevinolinic acid) Esi-19.048666ME11987470.002.131.47
Pederin Esi-14.612331ME11992080.002.151.45
PI(18:0/22:0)ME11993090.002.161.44
Latanoprost (free acid)-d4 Esi-18.924002ME11986780.002.231.37
Somocystinamide A byproductME11995630.002.231.37
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999ME11973050.002.181.42
3^-Deoxydryopteric acidME11974000.002.201.40
Gly Lys LeuME11984530.002.650.95
Adenosine 2^,5^-bisphosphateME11976200.002.511.09
Thr Thr Lys Esi-8.5778ME11996820.002.551.05
BRL 32872 Esi-13.780859ME11978370.002.401.20
AragusteroketalME11976820.002.441.16
Inosine 2^,3^-cyclic phosphateME11985620.002.451.15
TofisopamME11997021.150.241.53
2-Oxopropyl-CoMME11973421.230.141.50
N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamideME11989501.220.201.44
Retrofractamide DME11994811.400.001.36
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethaneME11972241.390.001.38
TirandamycinME11996971.390.001.37
Patellamide C Esi-14.6015ME11991441.360.001.42
Aminocaproic acidME11976551.360.001.42
Austalide K Esi-15.217778ME11977511.360.001.42
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)ME11990241.380.001.39
32:5(14Z,17Z,20Z,23Z,26Z)ME11973711.380.001.39
Cytochalasin Npho Esi-13.328263ME11980261.380.001.39
PD 173074ME11991511.370.001.41
TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]ME11996421.370.001.41
U-51605ME11997771.380.001.40
OlprinoneME11990951.370.001.40
Phe Asp AsnME11992601.370.001.40
Phe Cys TrpME11992631.300.001.52
1,3-DinitropyreneME11971221.300.001.52
Methyl 5-(1-Propynyl)-2-thiophenepropanoateME11988641.300.001.52
2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261ME11972461.290.001.54
Pantothenic AcidME11991421.290.001.53
C-6 CeramideME11978601.290.001.53
PanaxadiolME11991381.290.001.53
CAY10575ME11979021.340.001.45
Sulfamethoxazole Esi-5.9703155ME11995911.340.001.45
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4ME11971541.350.001.44
Ganglioside GM1 (18:1/22:0) Esi-14.879001ME11983561.350.001.45
Patellamide C Esi-15.121277ME11991461.310.001.51
p-(Phenylazo)benzenesulfonic acidME11991141.310.001.50
4-Chloro-6,7-dimethoxy-2-benzoxazolinoneME11974611.320.001.48
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]ME11996471.320.001.49
N-AcetylcarbocysteineME11989781.320.001.49
Cerberin Esi-11.905999ME11979281.320.001.49
FormylpyruvateME11982951.320.001.49
Oil Orange SSME11990881.330.001.47
Lauryl hydrogen sulfate Esi-21.026402ME11986851.330.001.48
SulfaphenazoleME11995951.330.001.48
Methionyl-CysteineME11988521.240.001.62
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2]ME11980861.240.001.62
Arachidic acid(d3)ME11976771.240.001.62
12R-HOME(13Z)ME11971491.240.001.62
Androsterone glucuronide Esi-10.629364ME11976631.240.001.62
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.205997ME11980881.240.001.61
N-DealkylzuclopenthixolME11989971.240.001.61
HarrisoninME11984941.250.001.61
xi-3-Hydroxy-2-oxobutanoic acidME11998241.250.001.60
Lys Glu TyrME11987641.250.001.60
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-21.1286ME11980931.250.001.60
Ergosine Esi-13.778999ME11982151.250.001.60
(-)-Folicanthine Esi-18.905445ME11970071.260.001.58
PA(P-16:0/0:0)ME11991291.260.001.58
NafcillinME11989821.260.001.59
Trp Ile LysME11997411.260.001.59
Isoxaben Esi-12.109461ME11985871.280.001.55
Phe Arg Arg Esi-13.385848ME11992561.280.001.55
SpergualinME11995651.270.001.57
Ritonavir Esi-15.33237ME11994961.270.001.57
S-(p-Azidophenacyl)glutathioneME11995081.270.001.57
PicosulfateME11993341.280.001.56
Cys Cys ThrME11980211.270.001.56
L-ArogenateME11986741.270.001.56
CAY10404ME11978961.220.001.64
Notoginsenoside R4ME11990591.220.001.64
AtorvastatinME11977451.200.001.68
PhenylamilME11992801.210.001.67
1,3,5-Trihydroxy-10-methylacridone Esi-5.972ME11971201.210.001.66
Fluphenazine enanthateME11982781.210.001.66
7,12-Dimethylbenz[a]anthracene 5,6-oxideME11975521.180.001.71
trans-Resveratrol-d4ME11997151.190.001.69
Tyr-Tyr-OHME11997751.190.001.70
Tumonoic Acid IME11997621.190.001.70
MCPA-thioethylME11988151.190.001.70
o-HydroxyfinasterideME11990871.190.001.70
PipobromanME11993411.170.001.73
Octadecanedioic acidME11990821.170.001.73
DibenzothiopheneME11981111.170.001.73
ClovamideME11979721.170.001.73
Arg Trp PheME11976951.170.001.73
18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502ME11971911.170.001.73
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308ME11972941.170.001.73
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.430093ME11972741.150.001.75
PE(O-18:0/0:0) Esi-15.567857ME11991921.150.001.76
Araloside S1ME11976841.160.001.74
PIP(18:3(6Z,9Z,12Z)/18:1(9Z))ME11993351.160.001.75
3-Methyl-2-thiohydantoinME11974211.630.000.99
PE(20:3(8Z,11Z,14Z)/0:0) Esi-14.924429ME11991741.630.001.00
TRIMME11997301.650.000.97
Caribbean ciguatoxin 1ME11978811.640.000.97
Musca-aurin-IME11989271.640.000.98
DideoxymycobactinME11981201.640.000.98
HPFME11985371.640.000.98
2-Hydroxy-24-keto-octacosanolide Esi-21.0155ME11973221.700.000.89
tuberculosinyl diphosphateME11997551.700.000.88
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrileME11973511.720.000.86
Daucic acid Esi-0.783ME11980421.710.000.87
Kurziflavolactone DME11986581.680.000.91
N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineME11989921.690.000.90
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.446557ME11970541.660.000.94
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29ME11973521.670.000.92
Zuclopenthixol glucuronideME11998411.670.000.93
(7^R,8^R)-4,7^-Epoxy-3^-methoxy-4^,5,9,9^-lignanetetrol 9^-glucosideME11970651.770.000.76
Spinacoside DME11995711.800.000.73
(Z)-22-Hentriacontene-2,4-dioneME11970901.780.000.75
28:7(n-6) Esi-22.012001ME11972801.790.000.74
xi-3-Hydroxy-2-oxobutanoic acid Esi-22.020666ME11998231.780.000.74
Leu Lys SerME11987041.820.000.68
trifluoroacetic acid Esi-19.114279ME11997241.850.000.65
Deoxycholic acid disulfateME11980641.850.000.64
OxytetracyclineME11991121.850.000.64
Glycyl-H-1152ME11984661.340.211.24
Phytenic acidME11993031.490.001.22
MecarphonME11988191.480.001.23
Daucic acidME11980411.480.001.23
Istamycin X0 Esi-15.615997 :1ME11985971.480.001.23
Glandulone B Esi-3.2642305ME11983951.470.001.25
DidanosineME11981191.470.001.25
Cybutryne Esi-9.505ME11979981.470.001.25
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoneME11971091.470.001.25
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid Esi-0.8549233ME11970241.470.001.25
FursultiamineME11983161.470.001.24
Kansuinine BME11986351.470.001.24
NevirapineME11990281.460.001.26
3-Methylsuberic acidME11974221.460.001.27
Kni 102 Esi-14.802616ME11986531.460.001.27
ZM 447439ME11998371.410.001.34
PG(13:0/20:4(5Z,8Z,11Z,14Z))ME11992321.420.001.32
Methoxybrassenin AME11988571.420.001.33
Lycoctonine Esi-14.408003ME11987581.420.001.33
Abu-His-OHME11976041.420.001.33
Lithocholic acid taurine conjugate Esi-13.664846ME11987371.420.001.33
Met Gln ThrME11988381.430.001.32
IsoplumbaginME11985791.430.001.31
Sphingofungin AME11995661.430.001.31
2-Acetolactic acidME11972861.430.001.30
6-methoxy Naphthalene Acetic AcidME11975441.430.001.30
36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S])ME11973761.440.001.30
(S1)-Methoxy-3-heptanethiolME11970891.440.001.30
Aculeacin AME11976161.450.001.29
Cytosine Esi-21.03491ME11980331.440.001.29
MipafoxME11989011.440.001.29
BenazeprilatME11977891.600.001.04
Phthalic acid Mono-2-ethylhexyl Ester Esi-22.013496ME11992931.590.001.06
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacroleinME11970461.590.001.06
3-oxohexacosanoic acidME11974351.590.001.06
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein Esi-1.4988573ME11970451.590.001.05
Ile Val GlyME11985541.590.001.05
(S)-Mevalonic acidME11970861.560.001.10
ThevetiaflavoneME11996611.560.001.10
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acidME11971511.550.001.11
Sarcodon scabrosus DepsipeptideME11995191.560.001.11
Phthalic acid Mono-2-ethylhexyl Ester Esi-21.041466ME11992941.570.001.09
(R)C(R)S-S-Propylcysteine sulfoxideME11970771.570.001.09
6?-Methylprednisolone AcetateME11975261.580.001.07
Fusicoccin AME11983171.580.001.08
4-Hydroxyfurano[2^^,3^^:6,7]auroneME11974691.500.001.20
TyphasterolME11997631.500.001.20
Leukotriene D4-d5 Esi-14.724852ME11987181.500.001.21
Pederin Esi-16.31723ME11992071.500.001.21
Myricanol 5-beta-sophorosideME11989341.510.001.19
SC-19220 Esi-5.969728ME11995311.510.001.18
Triacontanedioic acidME11997171.510.001.18
3-Hydroxy-7-acetylaminonitrazepamME11974081.550.001.12
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME11993221.550.001.13
TG(12:0/12:0/20:1(11Z))[iso3]ME11996391.550.001.13
2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004ME11972311.540.001.13
Mibefradil Esi-11.61038ME11988921.540.001.14
Lauryl hydrogen sulfate Esi-21.017363ME11986841.540.001.14
Foeniculoside IME11982871.540.001.14
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-21.0028ME11971361.540.001.14
Bifemelane (M5)ME11978121.540.001.14
32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249ME11973691.530.001.16
PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi-14.531585ME11993331.530.001.16
TigecyclineME11996941.530.001.15
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranosideME11979401.530.001.15
3^-O-Methyl-(-)-epicatechin-7-O-sulphateME11974311.530.001.15
5-Pentacosyl-1,3-benzenediolME11975201.530.001.15
5-(4-Acetoxybut-1-ynyl)-2,2^-bithiopheneME11974871.520.001.16
Ethionamide sulfoxideME11982281.520.001.17
FTY720 phenoxy-biotinME11983031.520.001.17
Gln Asp PheME11984170.610.002.62
Leukotriene B4-3-aminopropylamide Esi-13.272002ME11987130.610.002.62
Leukotriene D4 methyl esterME11987170.540.002.74
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-18.137074ME11991900.540.002.74
CAY10598ME11979050.560.002.71
FalimintME11982520.560.002.70
2-Hydroxymyristic AcidME11973270.570.002.69
Glycerol triundecanoate Esi-20.89194ME11984580.570.002.69
SecoisotetrandrineME11995390.580.002.68
Tetrahydrocortisol Esi-17.296581ME11996340.580.002.67
Leukotriene B4-3-aminopropylamide Esi-11.701998ME11987150.320.003.09
Distearyl phosphatidyl ethanolamineME11981640.260.003.19
PS(P-20:0/14:0)ME11994440.270.003.16
AzaconazoleME11977580.410.002.95
Eruberin CME11982160.370.003.01
Maytansine Esi-14.2845ME11988120.370.003.00
SilafluofenME11995520.490.002.82
CapsicosinME11978780.460.002.86
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME11991150.450.002.89
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME11991860.440.002.90
Tyrosyl-Cysteine Esi-1.2598001ME11997720.860.002.22
Asp-Tyr-OHME11977370.860.002.22
Ganglioside GM2 (d18:0/26:1(17Z)) Esi-14.23ME11983660.860.002.22
NorbinaltorphimineME11990530.850.002.24
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.241123ME11991790.850.002.23
3-Chloro-2-hydroxymuconic semialdehydeME11973920.890.002.18
STS-135ME11995850.890.002.18
3-oxo-tetracosanoic acidME11974360.870.002.20
PA(22:4(7Z,10Z,13Z,16Z)/0:0)ME11991240.870.002.20
CiprofibrateME11979560.800.002.32
Tetrahydrocortisol Esi-17.851997ME11996350.800.002.32
4-MethyldibenzothiopheneME11974750.810.002.30
DiethylphosphateME11981280.810.002.30
Rhizochalinin D Esi-22.570372ME11994840.810.002.31
GallamineME11983350.810.002.31
Rhizochalinin DME11994830.810.002.31
(-)-Folicanthine Esi-19.1315ME11970080.840.002.26
Lycoctonine Esi-14.8099985ME11987570.840.002.25
Ganglioside GM1 (d18:1/23:0)ME11983620.820.002.29
SQMG(0:0/16:1(13Z)) Esi-23.754251ME11995740.820.002.29
Fenoterol sulfateME11982590.830.002.28
Butyl 3-O-beta-D-glucopyranosyl-butanoateME11978500.830.002.27
Leu Glu GlnME11987000.830.002.27
Trp Pro AspME11997430.660.002.54
6^-Dehydro-6^-oxoparomamineME11975370.710.002.47
5,6-Dichloro-1,3-cyclohexadieneME11974910.690.002.49
AmataineME11976510.680.002.51
AcifluorfenME11976110.780.002.35
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionateME11974480.770.002.36
Valyl-ArginineME11998030.770.002.36
N2-Acetyl-L-aminoadipateME11989700.760.002.39
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate Esi-14.866998ME11972870.750.002.40
Pergolide sulfone Esi-10.179499ME11992220.750.002.40
Avocadene acetate Esi-19.501625ME11977570.740.002.42
PropachlorME11993880.740.002.42
Perfluoroacetyl chlorideME11992180.730.002.43
GW 7647 Esi-23.759872ME11984880.720.002.44
Ketoleucine Esi-4.723999ME11986430.720.002.44
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 Esi-7.218078ME11971550.930.002.11
Thr Ile Lys Esi-9.086999ME11996770.930.002.11
PE(20:2(11Z,14Z)/0:0) Esi-13.972372ME11991720.910.002.14
Ginsenoside Rb1 Esi-14.887374ME11983880.920.002.12
Mulberrofuran TME11989210.920.002.13
Istamycin X0 Esi-9.9388895ME11985990.920.002.13
BenoxinateME11977910.920.002.13
(25R)-11alpha,20,26-trihydroxyecdysoneME11970370.920.002.13
Ascorbyl stearateME11977140.920.002.13
PE(P-16:0/0:0) Esi-15.062601ME11991940.990.002.02
2,4-dichloro-N-propylbenzamideME11972440.980.002.02
N-oleoyl leucineME11990500.980.002.03
FluperlapineME11982770.980.002.04
N2-Acetyl-L-aminoadipate Esi-1.2581818ME11989690.980.002.04
1^-O-AcetylpaxillineME11972110.970.002.04
Bifemelane (M5) Esi-8.831946ME11978110.970.002.05
Citalopram aldehydeME11979600.970.002.05
2,2^,5-Trichloro-4-hydroxybiphenylME11972270.960.002.07
Lanceotoxin AME11986690.960.002.06
SulfadiazineME11995900.960.002.06
Ganglioside GD3 (d18:0/25:0)ME11983530.950.002.08
JWH 200 2^-naphthyl isomerME11986250.940.002.09
SisomicinME11995550.940.002.09
F-Honaucin AME11982651.060.001.91
DG(15:1(9Z)/18:1(9Z)/0:0)[iso2]ME11980901.050.001.92
GlcCer(d16:1/18:0) Esi-23.715746ME11983971.050.001.92
(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1-2)-b-D-glucopyranoside]ME11970871.030.001.95
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene Esi-11.457001ME11975691.040.001.94
Microcystin LRME11988951.040.001.93
Bromoenol lactoneME11978411.040.001.93
Leukotriene B4-3-aminopropylamide Esi-13.5269985ME11987121.040.001.93
Trandolapril lactam (RU 46178)ME11997121.000.002.00
N-Acetyl-leu-leu-leu-tyr-amideME11989811.000.002.00
PI(18:2(9Z,12Z)/0:0)ME11993131.000.002.00
NarcissidineME11989911.010.001.98
BuserelinME11978471.020.001.97
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)ME11994361.020.001.97
FR122047ME11983021.020.001.96
Tris(2-methyl-1-aziridinyl)phosphine oxideME11997341.020.001.96
Dihydrolevobunolol glucuronideME11981431.090.001.85
Ganglioside GD3 (d18:0/24:0)ME11983521.090.001.86
Troxilin B3ME11997391.090.001.86
MethylergonovineME11988761.070.001.89
BromhexineME11978391.070.001.89
Famotidine sulfoxideME11982531.070.001.89
2-Imino-4-methylpiperidineME11973321.080.001.88
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acidME11973621.080.001.87
Butyl ethyl malonateME11978521.080.001.87
4-Phenylbutyl glucosinolateME11974811.110.001.82
DG(15:1(9Z)/16:0/0:0)[iso2]ME11980851.120.001.81
5-HydroxysulfapyridineME11975161.130.001.78
23-trans-p-Coumaroyloxytormentic acidME11972601.140.001.78
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-23.697498ME11991281.140.001.78
beta-ZearalanolME11978051.130.001.79
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfideME11970941.130.001.80
2-Arachidonoyl Glycerol-d8ME11972971.341.450.00
1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthaleneME11971121.341.460.00
Lauryl hydrogen sulfate Esi-20.359999ME11986891.341.460.00
ThenylchlorME11996561.331.470.00
T2 TriolME11996011.331.480.00
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amineME11989451.321.480.00
ZygadenineME11998421.321.480.00
Benzotrichloride Esi-1.3895001ME11978001.311.500.00
Z-Arg-Arg-NHMec Esi-13.979152ME11998331.311.510.00
32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463ME11973701.311.510.00
QuinestrolME11994611.311.510.00
Thr Met TyrME11996811.301.530.00
12alpha-Methylpregna-4,9(11)-diene-3,20-dioneME11971471.291.540.00
CerberinME11979271.291.540.00
18-hydroxypregna-1,4,20-trien-3-oneME11971921.291.530.00
TG(17:0/17:1(9Z)/19:1(9Z))[iso6]ME11996461.291.530.00
(2R,4S)-2,4-DiaminopentanoateME11970471.391.380.00
Cer(d18:0/16:0(2OH))ME11979211.391.370.00
GentamicinME11983811.401.360.00
Sarcodon scabrosus Depsipeptide Esi-23.7713ME11995201.401.360.00
PI(P-20:0/20:4(5Z,8Z,11Z,14Z))ME11993311.401.370.00
PI(P-20:0/22:4(7Z,10Z,13Z,16Z))ME11993321.401.370.00
PG(12:0/16:0)ME11992301.421.330.00
1-epi-Fortimicin B Esi-12.41777ME11972001.421.330.00
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0)ME11984051.421.330.00
trifluoroacetic acid Esi-18.394539ME11997251.401.350.00
Ganglioside GM1 (d18:0/23:0)ME11983581.411.350.00
N-DesmethylzafirlukastME11990021.411.340.00
WIN I(S)ME11998171.411.340.00
Ganglioside GM2 (d18:0/26:1(17Z))ME11983651.351.440.00
Tubulosine Esi-11.408ME11997571.351.440.00
7-Epiloganin tetraacetateME11975601.361.420.00
XimelagatranME11998261.361.430.00
PA(O-20:0/0:0)ME11991261.371.410.00
SC-19220 Esi-5.9678755ME11995291.371.410.00
PtdIns-(1,2-dioctanoyl)ME11994491.381.400.00
Ritonavir Esi-15.103308ME11994951.381.400.00
Kanokoside DME11986341.381.380.00
2^^,6^^-Di-O-acetylononinME11972481.381.390.00
makisterone B Esi-14.750736ME11987961.381.390.00
Janthitrem C Esi-14.674221ME11986101.151.530.22
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1^-sn-glycerol)ME11971041.211.660.00
TetrahydrocortisolME11996331.211.660.00
Ethyl 2-Bromo-2-iodoacetateME11982311.211.670.00
Glandulone BME11983941.211.670.00
Ala His LysME11976281.221.650.00
Quercetin Tetramethyl (5,7,3^,4^) EtherME11994581.231.640.00
2-Amino-3-oxobutanoateME11972951.231.640.00
Ascorbate 2-sulfateME11977131.231.640.00
m-Hydroxydiphenyldimercury(1+)ME11988891.261.580.00
HAMI3379ME11984921.251.600.00
PetasitenineME11992281.241.610.00
Cer(d16:2(4E,6E)/18:0)ME11979181.241.610.00
Kni 102 Esi-14.021692ME11986521.241.610.00
Red chlorophyll cataboliteME11994681.131.800.00
Jamaicamide BME11986051.131.790.00
2-O-Galloylgalactaric acidME11973401.131.790.00
AldoifosfamideME11976351.131.790.00
Carbaprostacyclin-biotinME11978801.141.770.00
PA(20:3(8Z,11Z,14Z)/13:0)ME11991201.141.780.00
Nb-PentacosanoyltryptamineME11989941.151.750.00
p-HydroxyfosinoprilME11992961.151.750.00
Ser Arg LysME11995421.161.750.00
Acetylsoyasaponin A3ME11976081.161.750.00
PI(18:1(9Z)/0:0)ME11993121.161.750.00
Mibefradil Esi-11.611503ME11988911.161.740.00
Taxinine MME11996091.161.740.00
8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid.ME11975851.191.700.00
Cytochalasin Npho Esi-13.509003ME11980281.181.720.00
Thermocryptoxanthin-15ME11996601.181.710.00
Albafuran BME11976341.181.710.00
Phenyl vinyl sulfide Esi-0.77684623ME11992791.181.710.00
PE(20:0/0:0) Esi-15.449843ME11991601.171.730.00
His Lys PheME11985111.171.720.00
makisterone BME11987951.171.720.00
GlycosidesME11984621.720.850.00
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoyl-N^^-diethylethylenediamineME11989881.730.830.00
Diflunisal phenolic glucuronideME11981311.750.810.00
DesacetylsufentanilME11980701.760.780.00
PS(19:0/0:0)ME11994161.770.770.00
Oryzanol AME11991011.790.730.00
Phe His GluME11992641.820.690.00
SalsalateME11995171.840.650.00
Austalide KME11977501.510.970.22
Tirandamycin Esi-0.97316676ME11996961.630.990.00
Ganglioside GM1 (18:1/22:0)ME11983551.630.990.00
2-[(Isopropylthio)methyl]furanME11972491.630.990.00
Coenzyme F430ME11979751.630.990.00
Benzanthrone Esi-3.2669997ME11977961.640.970.00
Neoacrimarine IME11990101.640.980.00
PS(16:1(9Z)/22:2(13Z,16Z))ME11994051.640.980.00
17beta-Pyrazol-3-ylandrost-5-en-3beta-olME11971851.680.920.00
Diflunisal phenolic glucuronide Esi-18.394306ME11981301.660.940.00
L-Isoleucine Esi-0.98600006ME11987301.650.960.00
DeacetyldiltiazemME11980501.541.140.00
PE(O-18:0/0:0)ME11991931.541.140.00
PS(22:0/12:0)ME11994301.551.130.00
Cytochalasin Npho Esi-16.313536ME11980311.551.120.00
3-Deoxy-D-manno-octulosonateME11973971.551.120.00
8-Chloro-2,7-dibenzofurandiolME11975711.551.120.00
AvadharidineME11977531.571.090.00
CorynolineME11979881.571.090.00
Ethyl hydrogen sulfateME11982341.591.060.00
Austalide K Esi-21.41584ME11977481.601.050.00
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]ME11996491.591.050.00
DikegulacME11981481.441.290.00
Cys Lys GluME11980221.461.270.00
Lansioside AME11986701.451.280.00
EtidocaineME11982381.511.190.00
Gly-Nap-OHME11984671.511.180.00
(3Z)-PhytochromobilinME11970601.511.180.00
AM2232ME11976471.511.180.00
CephalexinME11979151.521.170.00
Tephrowatsin BME11996171.531.160.00
N-Desethylquinagolide glucuronideME11989981.471.240.00
Ginsenoside Rs2ME11983891.481.230.00
ZapotidineME11998291.481.240.00
Patellamide CME11991431.501.200.00
Butyl oleate sulfateME11978531.491.210.00
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) Esi-13.995312ME11983441.491.210.00
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.593262ME11987840.711.810.66
N-Formyl-norleucyl-leucyl-phenylalanyl-methylesterME11990330.661.970.58
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acidME11973240.871.560.65
Leukotriene B4-3-aminopropylamide Esi-12.382003ME11987070.841.630.63
Glu His GluME11984310.881.830.36
Leukotriene B4-3-aminopropylamide Esi-11.704637ME11987140.821.780.51
Alanyl-GlycineME11976320.921.640.49
Neoarctin B Esi-14.067717ME11990140.921.660.46
Glu Phe GluME11984420.972.040.00
Withaperuvin EME11998180.982.040.00
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.668497ME11970530.952.070.00
14-chlorotetracosane-1,15-disulfate Esi-13.981997ME11971650.962.060.00
LappaconitineME11986730.962.060.00
3beta-Cycloartane-3,29-diol Esi-21.035477ME11973880.932.110.00
MonocrotophosME11989120.932.100.00
ent-8-deoxy-J2-IsoPME11982080.942.090.00
Margrapine AME11988030.942.100.00
Capsianoside IIME11978770.942.100.00
LochnericineME11987440.942.100.00
3^-Deoxydryopteric acid Esi-0.7716665ME11973990.922.120.00
CarphenazineME11978880.922.130.00
alpha-kamlolenic acid Esi-15.540627ME11976430.912.150.00
CAY10598 Esi-17.291996ME11979030.912.150.00
S-ethyl N-[4-(trifluoromethyl)phenyl] IsothioureaME11995500.912.140.00
IsoxabenME11985880.912.140.00
ProtoverineME11994000.912.140.00
Phe Lys LysME11992651.002.010.00
Sinapoylspermine Esi-24.220377ME11995540.992.010.00
Platycodin DME11993481.011.980.00
Cer(d16:2(4E,6E)/20:0)ME11979191.011.980.00
Lys Gln LysME11987631.011.980.00
Chatenaytrienin 2ME11979321.011.990.00
PE(20:0/0:0) Esi-16.537123ME11991631.011.990.00
R-3-(Methylthio)-1-hexanolME11994631.031.960.00
PA(18:3(9Z,12Z,15Z)/0:0)ME11991191.021.960.00
Dukunolide EME11981911.021.970.00
PS(18:1(9Z)/18:2(9Z,12Z))[U]ME11994121.021.970.00
Montbretin AME11989151.051.910.00
Torososide BME11997061.051.920.00
PI(O-16:0/17:1(9Z))ME11993271.051.920.00
Jamaicamide B Esi-11.435726ME11986061.051.920.00
3-O-Methylniveusin AME11974321.051.920.00
Bifemelane (M5) Esi-8.8342ME11978101.051.920.00
Lipoxin C4 Esi-14.362997ME11987261.061.900.00
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diolME11974281.061.900.00
AmastatinME11976501.061.900.00
HC ToxinME11984951.071.890.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.015497ME11991801.071.890.00
6-HydroxyKetanserinol Esi-5.773736ME11975401.111.830.00
2-glyceryl-6-keto-PGF1?ME11973181.111.820.00
CitreovirenoneME11979641.111.820.00
Myristoleyl linoleate Esi-19.116375ME11989361.081.870.00
CAY10633ME11979081.091.860.00
12(13)-EpOMEME11971431.091.850.00
N-stearoyl proline Esi-18.875751ME11990691.091.850.00
7,8,7^,8^-TetradehydroastaxanthinME11975540.642.220.35
TiaprostME11996890.672.200.33
N-Nitrosotomatidine Esi-18.211845ME11990450.582.670.00
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]ME11996480.592.660.00
1-O-GalloylglycerolME11972120.622.610.00
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-oneME11972450.612.630.00
BluensomycinME11978280.652.560.00
DETA NONOateME11980780.642.570.00
Demethyl-desacetyl-rifamycin S Esi-13.981002ME11980580.682.520.00
D-Tartaric acidME11981870.672.530.00
1-MethylhypoxanthineME11972080.692.500.00
Mipafox Esi-10.771502ME11989020.702.480.00
AminofurantoinME11976560.772.370.00
XDPME11998210.772.370.00
MC-207,110ME11988130.782.360.00
Teprotide Esi-13.982501ME11996220.782.350.00
9,11-methane-epoxy PGF1?ME11975870.782.350.00
Dihydrocodeine-6-glucuronideME11981370.782.350.00
Piperonyl sulfoxideME11993400.722.450.00
Hovenidulcigenin AME11985360.742.420.00
Pro Trp TyrME11993790.732.420.00
Lasiodine AME11986770.762.390.00
Ceanothine EME11979110.752.400.00
PI(18:0/22:2(13Z,16Z))ME11993110.752.400.00
5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acidME11975110.832.280.00
MelizameME11988310.832.280.00
OxepahyperforinME11991090.832.270.00
Deoxyuridine monophosphate (dUMP)ME11980670.832.270.00
FenirofibrateME11982560.832.270.00
Ganglioside GM2 (d18:1/22:1(13Z))ME11983670.822.290.00
Sulfaphenazole Esi-9.083626ME11995960.822.280.00
Leukotriene B4-3-aminopropylamideME11987110.792.330.00
His Lys Phe Esi-6.1037855ME11985120.802.330.00
Met Leu TrpME11988400.802.330.00
Lycoctonine Esi-14.404003ME11987590.812.300.00
PG(20:0/0:0)ME11992410.812.310.00
PyrrhoxanthinME11994560.812.310.00
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.670749ME11975360.882.190.00
FaropenemME11982540.892.170.00
Camelliasaponin C1ME11978710.892.180.00
CannabipiperidiethanoneME11978740.892.180.00
22-keto-26-HexacosanolideME11972560.842.250.00
MetobromuronME11988790.842.250.00
His Glu AsnME11985040.852.250.00
XE991ME11998220.852.240.00
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferolME11971280.852.240.00
Gln Glu TyrME11984190.852.240.00
2-Chloro-1,1,1-trifluoroethane Esi-0.85225ME11973020.862.220.00
DiazoxideME11981080.862.220.00
CycloheximideME11980070.872.210.00
N1,N5,N10-Triferuloyl spermidine Esi-14.339803ME11989630.872.210.00
Se-AdenosylselenohomocysteineME11995371.410.830.51
DU 122290ME11981891.390.810.56
MethaphenileneME11988481.390.830.55
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3ME11972031.440.760.54
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME11991271.460.730.53
Prostaglandin E2-PEG11-biotin Esi-16.969559ME11993941.450.710.56
Cyclopassifloside IIME11980081.450.650.63
PiscerythramineME11993441.390.770.61
Leu Gln ValME11986991.420.710.61
SinapoylspermineME11995531.400.710.66
S-(p-Azidophenacyl)glutathione Esi-1.1509472ME11995091.660.350.60
2-O-CaffeoylglucarateME11973391.550.420.70
N-formylmaleamic acidME11990311.500.570.63
Phenanthrene-4-carboxylateME11992731.500.540.65
28:7(n-6)ME11972811.460.560.70
Ethyl glucuronideME11982331.480.540.70
1,2-Glyceryl dinitrateME11971171.490.540.68
5-Hydroxy-3,3^,7,8-tetramethoxy-4^,5^-methylenedioxyflavoneME11975121.490.530.68
Lys Phe ThrME11987721.570.610.47
Tris(butoxyethyl)phosphateME11997361.550.660.46
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl esterME11970631.500.610.58
Gln Pro Leu Esi-18.393852ME11984231.520.610.55
PS(16:0/22:2(13Z,16Z))ME11994031.520.610.56
BenzanthroneME11977951.590.510.55
FlunarizineME11982721.570.520.57
Arg Met ProME11976901.600.550.48
Stearic acidME11995801.580.560.52
trifluoroacetic acid Esi-19.372849ME11997261.560.580.52
Tyr Gln TyrME11997641.640.460.52
Loganin pentaacetateME11987451.690.420.47
6-O-OleuropeoylsucroseME11975501.690.470.43
Cappariloside BME11978761.670.460.46
HoPhe-HoPhe-OHME11985321.650.470.48
N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acidME11990431.650.530.44
Tricin 7-glucuronosideME11997201.630.600.40
Curcumin diglucosideME11979951.130.481.32
N-Valerylglycine methyl ester Esi-5.969946ME11990751.190.481.21
(S)-(-)-2-Hydroxyisocaproic acidME11970821.210.611.06
TrimethadioneME11997311.230.621.01
Tos-Ph-CH2ClME11997071.300.580.94
2-Methyl-4-oxopentanedioic acidME11973341.280.511.03
RescinnamineME11994751.310.481.02
Cohibin B Esi-20.35612ME11979771.011.250.73
Phe Trp Trp Esi-14.903789ME11992690.981.280.75
Cys Asn ThrME11980191.001.240.76
PerakineME11992160.991.260.76
Glu His IleME11984321.011.300.69
Tyrosyl-TyrosineME11997731.041.250.69
His Val MetME11985200.971.350.70
TaurineME11996070.951.400.68
Asterlingulatoside DME11977401.011.380.61
PE(19:0/0:0)ME11991571.001.450.56
LiriodenineME11987281.191.140.55
Panfuran SME11991401.191.140.56
5-bromo-3-cyclohexyl-2-hydroxybenzamideME11975081.191.120.58
Methyl N-methylanthranilateME11988721.171.140.59
Pederin Esi-13.385335ME11992061.101.180.67
Deacetyldiltiazem Esi-6.6946545ME11980511.111.210.61
3^-N-DebenzoyltaxolME11974241.081.230.64
PyridafenthionME11994531.091.220.64
ArgenteaneME11977001.131.310.48
PE(P-16:0/0:0)ME11991951.241.220.40
DiamidafosME11981061.140.870.91
CrimidineME11979911.150.880.88
DihydroxyaltramineME11981451.150.880.88
3^,4^-AnhydrovinblastineME11973571.160.860.89
Phospho-L-serineME11992901.160.870.88
Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))ME11983321.170.890.84
RitonavirME11994971.170.870.85
BelladonnineME11977881.140.930.84
TrabectedinME11997081.160.910.84
BeiwutineME11977861.160.920.83
E-64d Esi-14.968064ME11981981.160.920.83
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferolME11971351.120.940.87
LysoPE(18:1(11Z)/0:0)ME11987811.110.950.88
PA(P-16:0/15:1(9Z))ME11991301.100.950.89
MIPC(t20:0/20:0(2OH))ME11989051.140.910.86
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)ME11991251.140.900.87
(R)-ApiumetinME11970751.120.910.89
U50488ME11997761.120.920.88
Deoxyadenosine monophosphateME11980621.190.770.93
Gal?1-3GlcNAc?-SpME11983211.190.790.91
5a-Dihydrotestosterone sulfateME11974991.170.830.90
Isopropyl apiosylglucosideME11985821.170.830.90
NeotameME11990191.170.810.91
Val Leu HisME11997901.170.820.91
Tryptophyl-AlanineME11997511.150.830.93
n,n^-dinitrosopiperazine Esi-3.2796123ME11989561.150.820.94
PHOMEME11992861.160.810.94
2-hydroxy-tricosanoic acidME11973311.210.790.87
Sudan IIIME11995891.210.780.88
Palmitoyl SerotoninME11991341.230.760.87
Permetin AME11992251.240.770.85
PS(20:2(11Z,14Z)/0:0)ME11994241.220.810.84
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamateME11970981.230.810.81
Glu Met TrpME11984411.230.810.82
Lys Ala IleME11987611.180.840.87
Lupiwighteone hydrate 7-glucosideME11987531.190.860.83
6-HydroxyKetanserinolME11975391.210.830.84
AcotiamideME11976131.200.840.84
2-(4-Hydroxyphenyl)naphthalic anhydrideME11972171.150.691.07
5-HydroxythiabendazoleME11975171.150.711.05
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridineME11972931.170.701.03
(S)-(-)-2-Hydroxyisocaproic acid Esi-5.6432767ME11970811.160.701.04
1,2-Glyceryl dinitrate glucuronideME11971191.150.741.02
MaytansineME11988111.180.730.99
amifloxacinME11976541.190.710.99
cis-4-Hydroxyequol Esi-5.9713416ME11979581.170.721.01
2-Amino-1,2-bis(p-chlorophenyl)ethanolME11972901.180.711.00
Cys Lys Glu Esi-17.469164ME11980231.180.711.01
Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-ME11977761.100.771.08
Neu5Gc?2-3Gal?1-4GlcNAc?-SpME11990221.090.801.06
Ceranib-2 Esi-16.965996ME11979261.140.810.97
ZaprinastME11998301.110.811.01
Lys Val Val Esi-15.215776ME11987751.140.771.00
13-(2-Methylcrotonoyl)oxylupanineME11971531.130.800.99
N-Desethylquinagolide sulfateME11989991.130.791.00
Diisopropyl sulfateME11981471.230.730.91
Cappariloside B Esi-18.390999ME11978751.230.710.93
1,4-Bis(chloromethoxymethyl)benzeneME11971251.220.720.93
Asp Tyr CysME11977261.220.730.93
SarinME11995241.240.670.95
ValnemulinME11998021.260.680.90
Khelmarin DME11986461.310.680.83
2-hydroxy-nonadecanoic acidME11973281.310.690.81
Nostocyclopeptide A1ME11990561.310.700.80
bacteriohopane-32,33-diol-34,35-dicarbamateME11977691.270.720.84
Gln Asn HisME11984141.250.720.88
5,7,8-Trihydroxy-3,6,4^-trimethoxy-flavone 8-isovalerateME11974931.121.100.72
L-902,688ME11986631.111.110.71
2,3-dinor FluprostenolME11972411.091.090.77
DesmethyldescarbamoylnovobiocinME11980751.101.070.77
EtacelasilME11982231.101.060.78
CyflufenamidME11980121.141.040.74
Isoeugenol phenylacetateME11985731.131.040.75
AmlodipineME11976571.121.020.78
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]ME11980981.141.010.77
MaravirocME11988011.190.900.80
Glu Thr AspME11984441.190.930.76
TolnaftateME11997041.190.920.78
Desacetylsufentanil Esi-7.7625303ME11980691.180.970.75
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioateME11995061.150.990.76
ThiocysteineME11996641.160.990.76
PE(20:0/0:0)ME11991651.140.950.83
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dioneME11971451.150.950.82
4^-CinnamoylmussatiosideME11974621.150.950.81
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0)ME11983341.170.950.79
Kni 102ME11986551.160.970.78
alNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0)ME11976411.150.960.80
N-arachidonoyl tyrosineME11989871.150.970.79
4-Hydroxypenbutolol glucuronideME11974701.171.040.69
Lys Lys AspME11987681.171.010.72
Thr Ile ThrME11996781.230.970.67
GliquidoneME11984121.200.970.71
MetominostrobinME11988801.210.940.72
ThioproperazineME11996681.210.950.72
MonodeallydihydroxyalmitrineME11989131.251.010.59
PD 123177ME11991501.300.940.58
Janthitrem CME11986091.260.780.80
PericiazineME11992241.270.790.78
N-Ac-Asp-Glu-Val-Asp-CHOME11989751.290.790.75
A 922500ME11976011.270.810.76
GlcCer(d16:1/18:0)ME11983981.270.810.75
Diethyl L-malateME11981261.350.760.68
?-HydroxyisobutyrateME11970961.340.780.68
Sulfamethoxazole N4-hydroxylamineME11995931.310.780.73
Cholestane-3,7,12,25-tetrol-3-glucuronideME11979421.320.780.71
PhenisophamME11992751.330.770.71
1(3)-glyceryl-6-keto-PGF1? Esi-10.624619ME11971001.240.850.77
Rescinnamine Esi-16.316877ME11994731.250.840.76
GPSer(16:0/18:1(9Z))ME11984771.250.880.71
Istamycin X0 Esi-16.171446ME11986001.260.870.71
SulfanilamideME11995941.240.880.74
Ginsenoside Rb1 Esi-14.56789ME11983861.230.900.73
JP83ME11986181.220.890.75
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0)ME11984091.300.860.66
Quinagolide glucuronideME11994601.290.850.68
4-Amino-2-nitrophenol Esi-0.7922775ME11974541.260.940.64
ThiolanilideME11996651.270.910.66
IsobutyrylglycineME11985721.010.891.09
Istamycin C0 Esi-15.5872755ME11985941.000.891.11
Endomorphin-2ME11982061.030.851.10
MethituralME11988551.030.861.09
6-HydroxyKetanserinol Esi-5.9623346ME11975411.010.871.12
AG-183ME11976221.020.861.11
3-Hydroxy-L-prolineME11974141.030.891.07
Taurolithocholic acid 3-glucuronideME11996081.030.891.06
Arg Phe ProME11976921.010.911.08
Verteporfin Esi-13.946576ME11998091.000.921.08
Cytochalasin Npho Esi-13.511332ME11980301.010.931.05
Lipoxin C4 Esi-14.214115ME11987271.000.941.07
DimethipinME11981500.960.891.17
(+/-)-alpha-Hydroxyisovaleric acidME11970210.970.881.17
Cytochalasin NphoME11980270.970.891.16
Cysteine-S-sulfateME11980250.980.901.14
tiropramide Esi-12.845888ME11997000.970.901.15
9-NitroanthraceneME11975950.990.871.15
Glu Ile LeuME11984340.980.851.18
PencycuronME11992130.980.861.17
IsofraxidinME11985751.060.801.11
1-(Indol-3-yl)propanol 3-phosphateME11971081.020.821.15
TelbivudineME11996141.020.811.15
22:3-Glc-StigmasterolME11972531.030.831.12
PS(20:4(5Z,8Z,11Z,14Z)/0:0)ME11994271.020.841.14
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucosideME11988590.920.991.14
Methyl 4-chloro-1H-indole-3-acetate Esi-5.3763795ME11988620.940.971.12
PE(P-18:0/0:0)ME11991960.930.971.14
PS(20:3(8Z,11Z,14Z)/0:0)ME11994260.940.951.15
Strophanthidin SemicarbazideME11995830.930.941.16
GlcCer(d16:2(4E,6E)/20:0)ME11983990.960.931.13
Ethosuximide M3 glucuronideME11982290.950.941.14
xi-3-Hydroxy-2-oxobutanoic acid Esi-1.0062224ME11998250.950.951.13
Glu Ile Val Esi-5.9629984ME11984380.980.921.12
p-Hydroxytiaprofenic acidME11992980.980.921.12
Carmamycin BME11978870.950.981.10
PG(22:1(11Z)/22:0)ME11992430.970.961.08
Dinoflagellate luciferinME11981530.970.961.09
PederinME11992100.970.951.09
18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acidME11971900.880.931.26
DPTA NONOateME11981860.900.921.24
Lys Gln IleME11987620.930.931.18
Ile-lle-OH Esi-17.959187ME11985560.920.941.20
7-Hydroxybenzo[a]pyreneME11975610.920.931.20
SalanninME11995130.920.931.20
ValeracetateME11997980.910.961.17
Pregnenolone sulfateME11993640.900.991.17
Rifamycin Esi-15.079023ME11994900.891.001.18
(1H-Indol-4-yl)-Carbamic Acid tert-butyl esterME11970230.970.821.22
PetromyzonolME11992290.990.821.20
PrazepamME11993571.020.771.20
Wanepimedoside AME11998161.000.781.22
Methyl Arachidonyl FluorophosphonateME11988660.900.841.31
DG(19:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]ME11981000.920.851.27
Renilla luciferin Esi-17.47116ME11994700.910.871.27
MelilotinME11988280.920.791.34
Methionyl-MethionineME11988530.920.811.32
Wortmannin-Rapamycin ConjugateME11998190.950.821.26
Glu Ile Val Esi-5.766665ME11984370.970.781.26
(+)-AtherospermolineME11970180.950.791.29
PlitidepsinME11993490.950.781.29
4-oxo 2-Nonenal-d3ME11974791.090.741.12
ErythroseME11982191.060.741.16
PseudouridineME11994451.060.741.17
Ganglioside GM1 (d18:0/23:0) Esi-14.870058ME11983591.020.681.29
AngustineME11976671.010.711.27
Tryptophyl-ThreonineME11997531.010.701.28
Asterlingulatoside D Esi-14.568447ME11977411.070.591.30
MangostinoneME11987981.080.651.22
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amideME11974951.061.160.74
2-deoxy-20-hydroxyecdysone 22-phosphateME11973090.991.210.79
OseltamivirME11991051.021.180.79
PE(22:4(7Z,10Z,13Z,16Z)/0:0)ME11991831.031.180.77
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-10.19755ME11990931.061.100.80
Resolvin E2ME11994791.051.120.80
3alpha-Hydroxy-5beta-chol-14-en-24-oic AcidME11973811.051.080.83
Glu Tyr ProME11984461.051.090.83
Myricanol 5-beta-sophoroside Esi-14.362578ME11989351.051.110.82
O-MethylsomniferineME11990971.051.100.82
AspeciosideME11977331.031.150.81
Maytansine Esi-13.948095ME11988091.011.150.82
Maraviroc Esi-16.530228ME11988021.001.160.84
Zinc protoporphyrin-9ME11998360.991.150.87
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferolME11972730.991.150.86
MarasmeneME11987991.001.150.86
Fortimicin AOME11982961.031.120.84
5-MethylthiopentanaldoximeME11975181.021.110.86
Glu Gln ValME11984281.021.110.87
1(3)-glyceryl-6-keto-PGF1?ME11970991.001.120.87
5a-Dihydrotestosterone sulfate Esi-13.40978ME11974981.011.130.86
LysoPE(0:0/18:0)ME11987801.011.130.86
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)ME11987850.961.230.83
PG(15:0/16:0)ME11992360.951.240.85
EtofenproxME11982420.891.240.94
12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185ME11971480.931.200.91
Indoxylsulfuric acidME11985610.921.220.91
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucosideME11970520.951.150.93
Kuwanone HME11986620.951.150.93
Ethynylestradiol 3-sulfateME11982360.941.170.93
Pro Glu TrpME11993700.941.160.94
Carmamycin A Esi-9.157391ME11978840.971.170.87
L-IsoleucineME11987310.961.160.89
Mycolipanolic acid (C27)ME11989310.891.031.14
Acetic anhydrideME11976070.901.021.14
MegestrolME11988270.901.031.13
Fentin acetateME11982600.871.071.13
Gibberellin A92ME11983840.891.061.12
JesaconitineME11986140.891.051.12
Pirimiphos-ethylME11993420.891.051.12
Phoslactomycin BME11992870.931.031.08
TiamulinME11996870.931.021.08
6^^^-Deamino-6^^^-hydroxyneomycin CME11975350.931.041.07
Leukotriene D4-d5ME11987190.941.031.07
11,12,13-trihydroxy-9-octadecenoic acidME11971400.931.051.06
Ser Val GlnME11995460.921.061.07
Thr-Phe4Cl-OHME11996850.921.061.07
29-demethylgeodisterol-O-sulfiteME11972840.921.021.10
Lauryl hydrogen sulfateME11986880.921.021.11
TubulosineME11997600.911.051.09
Dictyoquinazol CME11981180.901.051.10
BotrydialME11978350.911.041.10
Inosine-5^-carboxylateME11985630.911.051.10
Protoverine Esi-13.779785ME11993990.911.051.10
LisurideME11987320.951.001.08
Methoprene acidME11988560.951.011.07
N1-Acetylthermospermidine Esi-12.920054ME11989670.971.001.05
Phthalic acid Mono-2-ethylhexyl EsterME11992920.971.001.04
Valyl-MethionineME11998040.951.021.05
(?-2-Hydroxy-4-(methylthio)butanoic acidME11970130.961.011.05
CalpeptinME11978700.961.011.05
VerbascoseME11998080.971.041.01
Oleoyl 3-carbacyclic Phosphatidic AcidME11990940.981.021.01
TyrMe-Asp-OHME11997670.981.021.01
Calpeptin Esi-13.490726ME11978690.971.031.01
PE(20:1(11Z)/0:0) Esi-15.071059ME11991660.981.031.01
4-Glucogallic acid Esi-15.439053ME11974650.971.021.03
Trp Val TrpME11997460.981.011.02
Hordatine BME11985330.961.051.02
Demethyl-desacetyl-rifamycin S Esi-13.157564ME11980570.961.031.04
Tifluadom Esi-15.295278ME11996900.951.041.04
Rescinnamine Esi-15.041779ME11994740.980.981.05
BopindololME11978320.980.981.06
DinitrosopentamethylenetetramineME11981520.980.971.06
N-Acetyl-D-galactosaminyldiphosphoundecaprenolME11989791.000.981.03
Leu His AsnME11987010.990.981.03
Pro Tyr IleME11993800.990.981.03
Lacinilene C 7-methyl etherME11986670.990.971.04
trifluoroacetic acidME11997230.990.971.04
17-phenyl-trinor-PGE2ME11971861.000.961.04
Norepinephrine sulfateME11990541.000.971.04
IntegerrenineME11985651.010.961.03
Oscillatoxin AME11991021.020.961.01
Lys Val ValME11987761.010.971.01
PE(18:0/0:0)ME11991561.010.971.01
3-Benzoyloxy-11-oxo-12-ursen-28-oic acidME11973851.020.990.98
PS(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.959272ME11994351.010.990.99
PropicillanME11993901.020.980.99
Gln Glu GlnME11984181.010.980.99
L-Glyceric acidME11987221.010.981.00
Benzyl sulfateME11978030.991.001.01
PE(20:2(11Z,14Z)/0:0)ME11991711.001.000.99
tiropramideME11996991.001.001.00
ecdysone palmitateME11982000.851.141.10
2,2^-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenolME11972260.851.161.08
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferolME11970340.861.151.07
O-Methylisoetharine sulfateME11990960.861.151.08
AlteichinME11976440.881.091.10
Arg Glu ProME11976860.881.091.10
Goshonoside F6ME11984750.881.111.08
TetrahydrocortisoneME11996360.891.111.07
32,35-anhydrobacteriohopaneterolME11973680.881.131.07
trifluoroacetic acid Esi-23.755394ME11997220.871.121.08
Carmamycin AME11978860.861.221.00
N-docosahexaenoyl glutamic acid Esi-13.686222ME11990040.891.190.98
8-HpODEME11975730.861.181.06
Trilauroyl-glycerolME11997290.861.171.05
1(3)-glyceryl-PGF2?ME11971010.871.171.05
Ser Leu LysME11995450.871.171.04
Ile Ile LysME11985490.861.191.02
Asp-Met-OHME11977360.851.201.04
TyrMe-Lys-OHME11997700.851.201.03
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)ME11987830.881.151.05
Beiwutine Esi-15.477ME11977840.891.141.04
BRL 32872ME11978380.891.131.04
Bicuculline (+)ME11978090.881.181.02
Mycalamide BME11989290.881.171.01
Glycosides Esi-9.361889ME11984630.901.151.01
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.684941ME11970510.901.151.02
Fluprostenol methyl esterME11982810.901.141.02
PS(20:3(8Z,11Z,14Z)/0:0) Esi-14.658332ME11994250.891.161.01
SQMG(0:0/16:1(13Z))ME11995730.901.161.00
Arg Gly CysME11976870.911.111.04
PE(18:0/0:0) Esi-13.6850605ME11991550.921.111.02
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferolME11970360.921.140.99
5-HydroxybuspironeME11975130.921.121.01
ZM 447439 Esi-14.045169ME11998380.921.131.00
GW 6471 Esi-13.514ME11984840.931.111.00
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP)ME11989390.931.111.00
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.98833ME11991820.931.120.99
Yellow ABME11998280.931.120.99
3-(2,5-Dimethoxyphenyl)propanoic acidME11973480.941.071.02
GoserelinME11984740.941.061.03
Leukotriene B4-3-aminopropylamide Esi-11.867218ME11987080.931.071.04
N-docosahexaenoyl glutamic acidME11990060.931.091.03
Ustilagic acidME11997840.931.081.03
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphateME11972060.901.101.06
Met Arg ArgME11988360.911.081.07
Thr Thr LysME11996830.911.091.05
W123ME11998150.921.081.05
CiglitazoneME11979500.991.090.94
3^-Deoxystreptomycin 3^^-phosphateME11974010.991.090.93
CafenstroleME11978630.991.090.93
Ethyl 3-O-beta-D-glucopyranosyl-butanoateME11982321.001.100.91
Lesquerolic acidME11986940.991.100.92
9-Hydroxy-2,6-dichlorodibenzofuranME11975910.961.100.97
Corchorosol AME11979840.951.110.96
Metalaxyl-MME11988450.961.110.95
Kikkanol AME11986480.971.140.91
3,3^-DimethoxybenzidineME11973560.971.120.94
Lipoxin C4 Esi-16.969027ME11987250.971.120.93
m-ChlorophenylbiguanideME11988140.971.120.93
DihydroergocristineME11981400.991.060.96
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)ME11987870.991.060.97
Lys Lys SerME11987690.981.080.95
LysoPE(0:0/16:0) Esi-14.242223ME11987770.971.080.96
3-Mercaptohexyl hexanoateME11974170.971.070.97
CalcimycinME11978670.981.070.96
Cholic acid glucuronide Esi-13.988553ME11979480.941.091.00
LysoPE(0:0/16:0)ME11987780.951.100.99
Etidocaine Esi-13.603334ME11982390.971.060.99
TrihomomethionineME11997280.961.080.99
Magnesium protoporphyrin monomethyl esterME11987930.951.071.01
PE(20:0/0:0) Esi-15.505648ME11991610.961.071.00
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551ME11973041.080.841.04
Dinoseb acetateME11981551.050.871.05
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-oneME11971461.060.861.05
Galactaric acidME11983221.060.851.05
Lividomycin B Esi-14.844177ME11987431.060.851.05
Arachidonoyl Glycine-d8ME11976811.120.840.96
1,3,5-Trihydroxy-10-methylacridoneME11971211.110.870.95
Ethchlorvynol Esi-5.644143ME11982261.110.870.95
(?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557ME11970141.090.900.97
Lividomycin B Esi-15.012224ME11987421.080.890.98
3-Hydroxy-7-acetamidoclonazepamME11974071.090.880.98
Phe Arg ArgME11992581.090.880.97
6-MethylthiohexanaldoximeME11975471.070.891.00
Ser Val Gln Esi-12.19894ME11995471.060.891.01
cis-4-HydroxyequolME11979591.060.900.99
SulfamethoxazoleME11995921.070.900.98
HydroxythiopentalME11985431.080.861.02
GW 6471 Esi-14.841889ME11984851.080.871.01
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosideME11970411.070.871.01
Cyclo-Ala-Pro diketopiperazineME11980011.070.871.02
Crimidine Esi-5.6406093ME11979921.090.841.01
N-Feruloylaspartic acidME11990301.100.860.97
NitazoxanideME11990371.100.860.98
EthchlorvynolME11982271.100.850.99
Diamidafos Esi-5.6443315ME11981071.090.861.00
sn-3-O-(geranylgeranyl)glycerol 1-phosphateME11995611.090.861.00
4-Carboxy-4^-sulfoazobenzeneME11974591.090.870.99
Cuneatin Methyl EtherME11979941.090.860.99
PS(P-16:0/18:4(6Z,9Z,12Z,15Z))ME11994411.100.920.92
Ginsenoside Rb1ME11983871.100.910.93
Plocamene BME11993501.090.920.93
NKH477ME11990381.070.930.95
Gln Pro LeuME11984221.080.920.95
Istamycin Y0ME11986011.080.930.95
TrypanothioneME11997491.080.930.95
CGP72383ME11979291.090.910.95
PS(22:4(7Z,10Z,13Z,16Z)/0:0)ME11994341.090.910.95
1-Benzyloxycarbonylaminophenethyl Chloromethyl KetoneME11971981.100.900.95
N-Valerylglycine methyl esterME11990761.090.900.95
Gln Asn ArgME11984131.090.930.92
17beta-Hydroxy-4-methylandrost-4-en-3-oneME11971841.090.940.92
CaspofunginME11978941.090.940.92
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0)ME11983261.080.960.91
MurAc(oyl-L-Ala-D-?-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undecaprenolME11989231.090.950.91
(E)-1,2-bis(6-methoxyquinolin-4-yl)etheneME11970691.070.960.93
17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucuronideME11971801.070.960.93
Dioscoreside CME11981571.070.960.93
3-tert-Butyl-5-methylcatecholME11974381.070.950.93
AconineME11976121.070.950.94
Glu Ile ValME11984361.070.950.95
Patellamide C Esi-14.832718ME11991451.060.950.94
Corchoionoside BME11979831.060.980.92
N-oleoyl glutamineME11990491.060.980.94
15(S)-HETE-biotinME11971671.030.931.02
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indeneME11975701.030.921.03
Djenkolic AcidME11981711.030.921.03
ThalicsessineME11996521.050.921.00
1-HydroxycarvedilolME11972071.040.931.01
1-epi-Fortimicin BME11972011.050.921.01
PhlegmarineME11992841.040.921.01
butoxyacetic acidME11978491.050.901.02
SC-19220ME11995301.050.911.01
Chivosazole DME11979331.050.940.98
PE(20:3(8Z,11Z,14Z)/0:0)ME11991731.060.930.97
Elaiophylin Esi-8.087501ME11982051.060.940.96
RO 40-5966 (Methylmibefradil Metabolite)ME11994991.060.940.96
NKH477 Esi-13.966839ME11990391.030.970.98
Prolyl-CysteineME11993841.040.960.97
MY-5445ME11989281.040.960.98
PE(20:1(11Z)/0:0)ME11991671.040.960.98
Diflunisal phenolic glucuronide Esi-12.493718ME11981321.040.941.00
Phthalazinone pyrazoleME11992911.040.950.99
Hexacosanedioic acidME11985011.040.950.99
Phe Cys LysME11992621.040.950.99
14-chlorotetracosane-1,15-disulfateME11971641.030.951.00
Asp-HoPhe-OHME11977351.030.960.99
CartilaginealME11978891.030.960.99
Pederin Esi-16.318275ME11992111.090.980.88
PS(18:1(9Z)/22:2(13Z,16Z))ME11994131.080.990.89
29:2(5Z,9Z)(6Br)ME11972821.071.010.88
Demethyl-desacetyl-rifamycin SME11980591.061.000.90
Ganglioside GM3 (d18:1/12:0)ME11983721.061.000.90
CasimiroinME11978931.081.000.86
Asp-His-OHME11977341.071.020.86
TephrodinME11996161.081.020.85
SR 144528ME11995761.091.020.83
8-Prenylafzelechin 5-methyl ether Esi-19.126862ME11975791.101.010.84
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.567055ME11993231.091.010.84
Philanthotoxin Esi-15.965054ME11992831.111.010.81
Prostaglandin E2-PEG11-biotinME11993951.111.000.83
C-6 NBD CeramideME11978621.130.990.81
Glu Gln GlnME11984271.110.980.84
Prostaglandin E2-PEG11-biotin Esi-14.863946ME11993931.120.960.84
PomiferinME11993531.051.040.88
DisulfiramME11981661.051.040.87
ChlorophacinoneME11979391.051.050.87
EtrimfosME11982441.051.050.87
JP104ME11986171.041.050.88
LansoprazoleME11986721.041.040.89
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.429496ME11975341.041.070.85
MibefradilME11988931.041.070.87
PS(O-16:0/0:0)ME11994381.021.090.88
PsilocybinME11994461.021.080.89
S-Methyl butanethioateME11995581.021.080.89
Calpeptin Esi-11.030671ME11978681.031.050.91
PhilanthotoxinME11992821.031.040.92
2-Phenylethyl octanoateME11973431.021.070.90
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediolME11971061.021.060.91
Phalaenopsine TME11992541.021.060.91
ConvicineME11979811.011.080.91
D-Mannitol 1-phosphateME11981791.011.070.92
19-Hydroxycinnzeylanol 19-glucosideME11971941.040.980.96
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))ME11983431.041.020.93
Cholic acid glucuronide Esi-14.196339ME11979461.031.010.93
MG(18:1(11E)/0:0/0:0)[rac]ME11988831.041.010.93
Methyl 4-chloro-1H-indole-3-acetateME11988631.050.990.93
E-64dME11981971.040.990.94
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) Esi-13.987215ME11987861.041.000.94
26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-{[R-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]}-beta-D-glucopyranosideME11972791.021.020.94
Beiwutine Esi-14.034541ME11977851.021.030.94
GN25ME11984691.021.030.93
Ile Lys HisME11985501.001.040.95
DocusateME11981801.001.060.94
Sphingofungin FME11995691.011.050.94
Z-Arg-Arg-NHMecME11998321.011.050.94
ThalidasineME11996531.021.010.96
PhaclofenME11992531.011.020.97
Androsterone sulfateME11976651.011.010.97
PE(20:2(11Z,14Z)/0:0) Esi-13.973057ME11991701.011.010.97
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12SME11974941.001.020.99
8-Prenylafzelechin 5-methyl etherME11975780.981.040.99
ValdiateME11997970.991.030.98
(Z)-2-Decene-4,6,8-triyn-1-olME11970910.991.040.98
FlonicamidME11982690.841.460.80
Amphibine HME11976610.701.500.97
B-(4-Fluorobenzoyl)propionic acidME11977650.731.550.89
Beiwutine Esi-14.235663ME11977870.731.550.88
Ala Ala AspME11976250.761.490.88
MorellinME11989160.801.440.88
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] Esi-14.374623ME11975800.791.410.93
talinololME11996050.821.350.94
S-FuranopetasitinME11995510.801.360.96
Tetrachlorobisphenol AME11996280.801.370.95
Cytochalasin Npho Esi-13.2610855ME11980290.861.350.88
Pro His ArgME11993710.851.370.87
AthidathionME11977440.871.290.92
GW 6471ME11984870.841.320.93
Gln Ser CysME11984250.771.261.10
Leukotriene E4-d5ME11987200.771.281.08
3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-alME11973650.821.241.05
N-(1-Deoxy-1-fructosyl)methionineME11989420.791.291.04
O-Acetylcypholophine Esi-13.734918ME11990790.831.300.97
2,4-Dimethyl-2-pentacosenoic acidME11972470.841.261.00
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acidME11970250.821.291.00
Leu AspME11986970.821.281.01
7?-(Thiomethyl)spironolactoneME11975560.821.271.02
Glu Lys HisME11984400.821.271.01
Erythromycin CME11982170.601.601.04
Val Phe ValME11997960.591.531.12
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324ME11973740.611.521.10
Geldanamycin AnalogME11983790.601.541.10
2,3,4-TrioxycyclopentanoneME11972360.661.501.04
Assamsaponin BME11977390.641.531.05
AmidosulfuronME11976530.681.461.05
Spinacetin 3-gentiobiosideME11995700.651.481.09
3^-Deoxystreptomycin 3^^-phosphate Esi-13.794664ME11974030.731.421.02
Aculeacin A Esi-14.0290365ME11976150.721.441.01
cholesterol sulfateME11979440.731.371.05
Glu His ArgME11984300.741.381.03
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside Esi-20.863995ME11979410.781.331.01
Fortimicin APME11982990.771.371.01
KetanserinME11986380.651.431.12
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronideME11973780.681.411.10
Asn Trp GlnME11977190.701.421.07
DG(14:0/17:0/0:0)[iso2]ME11980840.711.321.14
Dibenz[c,h]acridineME11981090.721.361.10
Mitoxantrone dicarboxylic acidME11989090.681.371.14
etizolamME11982410.691.371.12
Val Lys SerME11997920.691.371.12
JWH 210 N-(5-carboxypentyl) metaboliteME11986270.731.141.28
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olideME11973840.751.151.25
Asp Asn AsnME11977210.731.191.24
Avocadene acetateME11977560.741.181.24
Cycloheximide Esi-14.100669ME11980060.741.181.24
N-stearoyl alanineME11990680.671.271.26
9R-hydroxy-12E-octadecenoic acidME11975980.691.231.27
Lithocholic acid taurine conjugateME11987380.691.241.26
Istamycin C0ME11985930.701.291.19
Oscillatoxin A Esi-13.667364ME11991030.721.241.21
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-11.439357ME11975060.711.261.21
Lycoperdic acidME11987600.711.261.21
AG-99ME11976230.811.101.21
CybutryneME11979990.821.101.20
Arg Tyr Arg Esi-11.43104ME11976980.811.121.18
Ser Arg ThrME11995430.821.111.18
Thr Glu LeuME11996740.831.111.17
Tubulosine Esi-13.165218ME11997580.841.101.17
Neoarctin BME11990160.841.111.14
Lithocholic acid taurine conjugate Esi-13.403336ME11987350.851.121.12
Rescinnamine Esi-14.838336ME11994760.851.121.12
Ganglioside GM1 (d18:0/23:0) Esi-14.567172ME11983600.831.141.13
Glycerol 1,2-cyclic phosphateME11984560.801.151.16
ProbenecidME11993820.811.141.16
OlanzapineME11990900.811.151.15
isepamicin Esi-13.792515ME11985710.821.141.15
VemurafenibME11998070.821.141.15
Pro Lys GlnME11993740.801.221.09
BalanitesinME11977730.821.191.10
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-SpME11983370.801.211.11
DicambaME11981130.801.191.12
Pro Lys ThrME11993750.801.191.12
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphateME11975040.791.151.19
ErgosineME11982140.771.161.21
Uric acidME11997820.771.181.20
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)ME11985460.751.211.18
1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acidME11971950.781.181.17
Isopentyl gentiobiosideME11985780.791.181.16
Trp Pro ThrME11997440.771.211.15
Leu Ile GlnME11987030.771.201.16
Sphingofungin CME11995680.771.201.16
Niazimin AME11990340.781.121.23
Nonoxynol-9ME11990520.781.111.24
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepinME11974500.791.071.26
Renilla luciferinME11994720.801.081.25
SaccharocinME11995110.811.071.23
Lithocholic acid taurine conjugate Esi-13.663893ME11987360.791.091.24
N-linolenoyl-glutamineME11990420.801.091.23
CytosineME11980340.861.011.21
GW 7647ME11984890.831.051.22
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553ME11973100.831.031.24
Diisopentyl thiomalateME11981460.841.021.24
OxyphencyclimineME11991110.841.071.18
OctinoxateME11990860.851.061.18
Ustiloxin BME11997850.851.051.18
Promethazine sulfoxideME11993860.881.021.17
SB 206553ME11995280.871.041.16
14,15-LTC4ME11971600.920.741.40
PI(16:1(9Z)/0:0)ME11993070.910.741.41
Istamycin X0ME11985960.850.871.36
Tris(2-methyl-1-aziridinyl)phosphine oxide Esi-6.0872593ME11997330.860.861.37
4,4^-Thiobis-2-butanoneME11974490.820.861.43
KetoleucineME11986420.810.841.46
DPTA NONOate Esi-10.725725ME11981850.731.081.35
p-CresolME11991490.731.081.35
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acidME11973630.761.041.35
Cer(t20:0/20:0)ME11979240.771.051.32
Methional diethyl acetalME11988500.830.941.33
2-Hydroxyhexadecanoic acidME11973260.781.001.35
5-Tricosyl-1,3-benzenediolME11975210.810.991.32
GlycylalanylprolylmethionylphenylalanylvalinamideME11984650.690.971.53
1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dioneME11971020.681.001.51
Gln Ile ValME11984200.661.031.51
4-MethylburimamideME11974740.750.931.47
His Met AlaME11985130.731.001.43
N-palmitoyl leucineME11990620.310.952.15
2-(a-Hydroxyethyl)thiamine diphosphateME11972230.480.851.99
Arg Gln ProME11976850.460.931.93
Clo?sone butyrateME11979690.890.611.57
Glu Glu ThrME11984290.850.591.66
Histidinyl-HydroxyprolineME11985240.600.721.92
Phenyl sulfateME11992770.720.651.80
Trypanothione Esi-14.371003ME11997500.540.921.81
1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridineME11971150.540.991.74
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-13.956809ME11970420.491.021.79
3-Mercaptohexyl butyrateME11974160.600.991.65
Ethyl vanillin isobutyrateME11982350.581.001.66
3-Hydroxy-3-methyl-glutaric acidME11974060.590.931.73
Latanoprost (free acid)-d4ME11986790.620.881.73
Reserpic acidME11994770.800.781.53
3beta-Cycloartane-3,29-diolME11973870.680.811.70
E-64d Esi-8.439941ME11981960.750.811.59
N-docosahexaenoyl glutamineME11990070.730.801.63
Miconioside AME11988940.710.871.60
Notoginsenoside R9ME11990600.680.861.65
Testosterone sulfate Esi-17.807304ME11996260.690.871.63
1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerolME11971050.681.650.85
DacthalME11980380.611.700.92
S-Ribosyl-L-homocysteineME11995780.441.881.01
8-PropyloxycaffeineME11975840.551.800.92
Janthitrem C Esi-14.837ME11986110.531.790.96
(-)-Asbestinine 2ME11970050.531.661.09
BaptifolineME11977750.481.721.11
Lys Met AsnME11987700.471.561.29
15-methoxy-tricosanoic acidME11971700.481.581.25
Gln Asn His Esi-17.809042ME11984150.461.611.25
MecarbinzidME11988180.521.591.18
DL-threo-PDMP Esi-13.577822ME11981770.501.571.22
Deoxynojirimycin Tetrabenzyl EtherME11980660.521.561.20
JWH022 Esi-19.05115ME11986290.521.561.21
JurubineME11986190.541.541.20
MinosaminomycinME11988970.531.551.20
3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-olME11974270.561.541.16
N-(1-Deoxy-1-fructosyl)methionine Esi-12.818358ME11989410.551.591.13
Glu Lys His Esi-19.547081ME11984390.361.901.12
AzafenidinME11977590.381.821.18
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-18.22917ME11991160.391.831.14
BIBF 1120 Esi-13.157214ME11978080.341.731.33
RanolazineME11994650.281.851.30
5-HydroxypropafenoneME11975150.591.091.57
4-(Methylthio)-1-butanol Esi-6.2737703ME11974440.531.151.60
Eicosatrienoic acid Esi-18.831545ME11982030.551.161.56
NU 7026 Esi-13.103081ME11990740.611.191.43
9R-hydroxy-12E-octadecenoic acid Esi-15.234078ME11975990.591.221.44
Methionyl butyrateME11988510.581.221.45
Lys Thr AspME11987740.531.221.53
BIX01294ME11978250.521.251.52
ChloromarminME11979370.521.241.54
3-HydroxyneogrifolinME11974150.561.231.48
Leu Cys TyrME11986980.561.201.50
PE(20:2(11Z,14Z)/0:0) Esi-14.2688465ME11991690.681.111.41
17,20-Hexacosadienoic acid Esi-20.101692ME11971790.661.091.44
Threoninyl-AspartateME11996840.681.071.45
6-O-MethylarmillaridinME11975480.601.151.50
Sarin Esi-3.2831213ME11995230.631.111.48
Jamaicamide B Esi-10.62047ME11986070.641.231.34
(S)-Menthone 8-thioacetateME11970850.651.241.32
5-O-?-D-MycaminosyltylactoneME11975190.661.171.38
Tetradecyl sulfateME11996300.641.181.40
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.4330015ME11973790.721.131.33
STS-135 Esi-12.87541ME11995860.691.161.35
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetateME11972340.651.301.27
Trp Gln IleME11997400.641.321.25
2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382ME11973210.581.371.30
HA-1077ME11984910.611.361.28
HodgkinsineME11985290.621.341.27
DichotosininME11981150.581.441.22
NVP-BEZ235 Esi-19.376516ME11990780.601.441.21
2-(7^-Methylthio)heptylmalic acidME11972180.641.381.19
Phenyl vinyl sulfideME11992780.661.361.18
DithianonME11981690.611.381.25
CinegallineME11979520.621.391.21
N1-Acetylthermospermidine Esi-18.22554ME11989660.621.391.23
Cer(d18:0/16:0)ME11979220.571.281.40
Lesquerolic acid Esi-18.919157ME11986960.561.291.41
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.9999514ME11972910.541.281.45
N17-Dimethylindole-3-carboxaldehydeME11989650.531.291.46
Arg Pro PheME11976930.551.311.42
Curcumin diglucoside Esi-15.101372ME11979960.531.321.44
DL-threo-PDMP Esi-12.943765ME11981760.531.321.44
PGI2-EAME11992520.581.341.33
DimethylenetriureaME11981510.571.341.35
Debromohymenialdisine Esi-8.199001ME11980530.561.341.36
Promethazine sulfoxide Esi-1.5336301ME11993870.561.341.36
Sedoheptulose 1-phosphateME11995400.591.281.37
TazaroteneME11996110.601.251.38
Amorphigenol O-vicianosideME11976590.611.291.34
(-)-Fusicoplagin AME11970090.611.281.34
Hexacosanedioic acid Esi-20.018232ME11985000.571.311.38
ResorcinolnaphthaleinME11994800.581.311.37
Pregna-4,16-diene-3,11,20-trioneME11993620.591.301.36
Congmunoside X Esi-14.336399ME11979790.591.311.34
E-4031ME11981940.591.311.35
PamidronateME11991360.571.421.28
HMB-Val-Ser-Leu-VE Esi-15.069617ME11985270.561.411.30
Minoxidil-O-glucuronideME11988980.561.411.30
Cer(d15:1/24:0)ME11979170.531.421.32
24-Acetyl- 25-cinnamoylvulgarosideME11972660.551.431.29
Labetalol Metabolite (b-D-Glucopyranosiduronic acid, 1-[3-(aminocarbonyl)-4-hydroxyphenyl]-2-[(1-metME11986640.541.451.30
Thr His IleME11996750.541.441.30
N-linolenoyl-glutamine Esi-11.3399ME11990400.501.441.37
Arg Met GluME11976890.521.421.35
Lovastatin acid (Mevinolinic acid)ME11987480.511.441.35
Met Tyr PheME11988430.511.431.35
LupalbigeninME11987520.521.391.38
GSK264220AME11984800.481.411.43
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurineME11970400.481.431.40
JWH 073 N-butanoic acid metabolite-d5ME11986220.491.401.41
JNJ-10198409 Esi-12.412695ME11986160.501.401.39
trans-Resveratrol 4^-sulfateME11997140.501.411.40
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol Esi-14.215151ME11974250.461.381.49
CPA(18:0)ME11979900.461.401.46
DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)ME11981020.471.401.45
FluotrimazoleME11982760.471.381.47
Testosterone sulfate Esi-18.706919ME11996270.481.381.46
ArgentineME11977010.421.421.50
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetateME11972880.441.421.47
Asparenomycin AME11977310.441.441.45
Leucadenone DME11987050.381.391.59
N-Formylmethionyl-LeucylphenylalanineME11990320.421.361.57
Olanzapine Esi-11.483528ME11990910.411.411.54
10S-HODEME11971380.431.381.53
Pro His HisME11993720.421.381.55
Pregnenolone sulfate Esi-18.647598ME11993630.391.611.37
Tris(butoxyethyl)phosphate Esi-18.802755ME11997370.391.601.37
Tiamulin Esi-13.737598ME11996880.441.491.41
JWH022ME11986280.431.521.39
4-Feruloyl-1,5-quinolactoneME11974630.451.501.38
Kukoamine DME11986560.451.501.38
PI(18:3(9Z,12Z,15Z)/0:0)ME11993150.411.491.46
PI(P-16:0/12:0)ME11993280.371.531.47
N-Feruloylaspartic acid Esi-8.180532ME11990290.391.141.84
DichlozolineME11981140.461.131.74
OctamethyltrisiloxaneME11990850.481.121.72
Neoarctin B Esi-15.3102ME11990150.411.271.68
Eremopetasitenin A2ME11982130.451.241.64
3-Bromo-tyrosineME11973910.471.211.65
Methyl redME11988730.461.201.66
3beta-Acetoxy-19alpha-hydroxy-12-urseneME11973860.351.461.59
Asn Asn HisME11977150.341.471.59
Phe Pro GluME11992670.341.471.58
Cohibin B Esi-20.1962ME11979780.241.621.60
DeserpidineME11980720.271.561.60
Prostalidin A Esi-6.4725ME11993970.301.551.58
Kuwanon R Esi-13.948922ME11986610.301.601.52
Lansoprazole Esi-0.84076947ME11986710.321.541.55
Tebuconazole Esi-15.687523ME11996120.321.551.53
Janthitrem C Esi-14.425043ME11986080.301.441.67
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi-14.070586ME11985450.251.501.70
MetixeneME11988780.261.461.72
Niguldipine Esi-11.651002ME11990360.291.361.78
Pro Met TyrME11993780.351.351.70

Factors:

F1Sample source:Mouse blood | treatment:Ethanol
F2Sample source:Mouse blood | treatment:Ethanol+Honey
F3Sample source:Mouse blood | treatment:Ethanol+Sugar
Data matrix
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