Clustering data with hclust algorithm for (Study ST003128)

(Analysis AN005128)
MetaboliteStructureF1F2F3F4
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactoneME8155770.430.013.460.10
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;ClovamideME8159830.500.183.240.09
PhosphorylcholineME8155510.520.123.220.14
Edetic AcidME8156900.030.013.960.00
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2ME8156350.060.033.890.02
1-Phosphatidyl-D-myo-inositolME8159130.070.053.850.02
Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2^,3^-cyclic phosphateME8157090.060.053.870.01
{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acidME8159520.120.183.640.06
AcetylcysteineME8154300.110.093.520.28
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acidME8160470.100.100.063.74
Beta-Guanidinopropionic acid.4ME8156740.410.560.472.56
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2ME8156870.410.910.542.14
Citbismine CME8156960.013.980.010.01
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1,3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;GalactinolME8156790.013.970.010.01
9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOMEME8158530.143.530.080.26
LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholineME8157520.013.620.030.34
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactoneME8158040.083.750.100.07
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehydeME8158180.093.720.110.08
2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;GlucosylisomaltolME8158770.153.540.180.13
3-cis-Hydroxyglipizide;4-trans-HydroxyglipizideME8159570.143.480.300.08
Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediolME8159230.133.340.130.41
LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-ArachidonoylglycerophosphocholineME8158360.073.450.060.42
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acidME8159080.253.240.130.38
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0)ME8158030.123.180.180.51
Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydroxypropanoateME8157040.132.920.620.33
Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2ME8156400.462.690.660.19
Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acidME8156820.302.790.720.19
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-CellobiosylcellobioseME8158250.303.220.430.05
Sulfolithocholylglycine;Sulfoglycolithocholate(2-)ME8156300.333.150.390.14
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactoneME8159630.263.200.310.23
2-Furancarboxaldehyde;ProtoanemoninME8160230.293.110.350.25
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acidME8158750.283.150.320.24
Marcanine AME8160370.323.030.380.27
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2,3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1,5-AnhydrofructoseME8157810.253.070.440.24
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactoneME8159720.303.100.400.20
Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitric acid;2,3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1,4-lactone;2,3-Diketo-L-gulonateME8158960.162.970.420.45
Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecadienoic acid;Ethyl 2E,4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z,9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E,12Z-Octadecadienoic acidME8157330.202.930.280.59
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOMEME8159590.282.880.340.50
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acidME8157750.292.880.360.46
Urocanic acidME8155720.412.690.350.55
6-Hydroxy-1H-indole-3-acetamideME8159180.462.830.270.44
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2ME8156420.422.850.380.36
11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acidME8157230.272.390.420.92
D-Glyceraldehyde 3-phosphateME8154620.232.660.500.60
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acidME8158940.312.590.450.66
Phosphoenolpyruvic acidME8155500.292.530.450.74
ThiolutinME8158160.892.390.570.15
Thiosulfate;HydroxidodioxidosulfidosulfateME8160460.642.700.400.25
3-Phosphoglyceric acidME8154230.452.540.600.40
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenalME8159240.642.410.490.46
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl PhenylglyoxalateME8160070.652.310.530.51
L-Homocysteic acid.2ME8156462.850.270.770.11
ValdecoxibME8159032.840.170.970.03
Diethylcarbamazine N-oxideME8159062.870.081.020.03
(S)-Homostachydrine;Tranexamic AcidME8157262.850.081.030.04
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acidME8158762.740.230.990.05
Argininic acidME8160162.630.281.010.08
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-DihydroxynortropaneME8156952.440.111.390.07
Uridine diphosphate glucoseME8155702.460.181.350.17
NADPME8155392.180.350.960.35
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;GlutaminylserineME8158072.420.371.090.12
4-ethylphenylsulfate;3-ethylphenyl SulfateME8157793.750.120.090.04
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;GalactosylglycerolME8158513.150.140.610.11
ChloroformME8157533.110.220.400.27
Trichloroacetic acidME8157673.180.190.380.25
3-Hydroxytetradecanedioic acidME8156843.230.320.390.06
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acidME8160213.340.260.350.05
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acidME8158153.340.240.350.07
Formiminoglutamic acidME8156991.410.570.471.55
GuanosineME8154821.390.320.871.57
N-Undecylbenzenesulfonic acidME8159110.441.191.920.45
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acidME8159970.380.831.761.03
6-Phosphogluconic acidME8154270.811.690.60NA
Cysteine-S-sulfateME8158810.832.110.150.91
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2ME8156620.482.120.920.49
O-methoxycatechol-O-sulphateME8159790.632.001.160.21
Pyroglutamic acidME8155530.641.810.740.81
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]ME8159660.701.750.750.80
Palmitic acidME8155470.671.750.760.82
Histamine;Betazole;HistamiumME8157900.741.670.850.74
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acidME8160310.811.650.770.78
3-Oxoglutaric acid.2ME8156410.991.630.590.79
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-oneME8157370.841.600.690.87
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-oneME8159300.811.710.660.82
cis-Aconitic acidME8154490.841.710.660.78
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acidME8157210.841.730.650.78
I(-)ME8157380.902.020.610.46
CarnosineME8154460.841.860.770.53
N6,N6,N6-Trimethyl-L-lysineME8155370.801.840.690.67
Anserine;Homocarnosine;BalenineME8157190.712.050.730.51
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid;3-(3,5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid;3,4-Dihydroxy-trans-cinnamate;3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acidME8157850.651.940.730.68
Fructosamine;beta-D-GlucosamineME8160390.662.020.690.64
HeptanoylcholineME8159890.451.720.791.03
Malonyl-Carnitin;(S)-carnitiniumME8160440.341.870.820.96
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acidME8159710.512.070.520.89
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;ValeracetateME8159990.441.970.610.98
D-Ribose 5-phosphateME8154640.382.080.610.93
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.3ME8156450.312.090.820.78
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylateME8160130.472.160.660.71
SertralineME8160271.660.311.130.90
Trifluoroacetic acid.2ME8156601.610.560.960.87
Pyrocatechol sulfate;Hydroquinone sulfateME8157842.141.220.430.21
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-olME8159531.370.990.780.86
5S,6S-epoxy-15R-hydroxy-ETEME8158791.521.040.710.74
Triethylene Glycol Monomethyl EtherME8160421.511.050.660.77
(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acidME8157971.411.500.580.50
Tyramine glucuronideME8160021.441.580.470.51
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acidME8158121.461.260.690.60
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acidME8160221.441.240.860.45
Hippuric acidME8154851.511.390.760.34
Uridine diphosphate glucuronic acidME8155711.760.470.910.25
L-KynurenineME8155091.760.830.830.58
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;MephedroneME8159441.780.800.780.65
N-AcetylputrescineME8155331.890.830.810.47
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanoneME8159651.870.760.830.54
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolideME8159842.020.790.790.39
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;EmedastineME8159851.970.780.870.39
6-allyl-8b-Carboxy-ergolineME8160062.150.770.900.18
6-Hydroxypentadecanedioic acidME8158902.140.690.850.33
6-Epi-7-isocucurbic acid glucosideME8158581.590.791.130.49
N-Gluconyl ethanolamineME8159581.610.801.080.51
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside;5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucosideME8157691.690.721.170.41
Cinitapride;Acetyl tributyl citrateME8157721.770.731.120.38
TriethanolamineME8159621.570.890.890.65
N2-FructopyranosylarginineME8157771.501.071.050.39
1-Octen-3-yl glucosideME8157651.621.100.840.44
Guanidoacetic acidME8154801.590.990.940.48
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositolME8159391.621.050.920.41
Cinnamyl benzoate;Benzyl cinnamate;4^-Methoxychalcone;15(R)-hydroperoxy-EPEME8157441.910.891.010.20
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acidME8160411.820.981.090.11
3-Hydroxydodecanedioic acid;Dibutyl malate.2ME8155881.871.120.710.31
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acidME8156241.740.950.950.35
3-Hydroxydodecanedioic acid;Dibutyl malateME8155741.790.960.910.35
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;2-Ethylidenehexanal;2,4,4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-oneME8159741.780.970.880.37
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonateME8159611.811.010.800.38
Diisopentyl thiomalateME8158701.881.010.830.28
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamideME8157560.641.340.601.41
Beta-Guanidinopropionic acidME8156710.601.270.781.34
Beta-Guanidinopropionic acid.2ME8156720.541.240.741.48
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acidME8158650.551.200.761.49
L-Menthyl acetoacetateME8159170.971.370.401.26
Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;MethoxyphenamineME8158110.931.560.321.19
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acidME8159770.861.180.551.40
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acidME8159260.861.030.591.51
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acidME8158950.911.060.591.44
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrateME8158170.841.320.341.50
p-Chlorobenzene sulfonyl urea.4ME8155990.961.210.421.40
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic AcidME8160491.130.711.141.03
TaurineME8155591.030.791.370.81
3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3,3-Dimethylglutaric acidME8157581.070.791.280.86
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2ME8156591.040.771.320.87
Pummeline;Koeniginequinone B;4-hydroxy ketorolacME8159601.030.741.330.89
N2,N2-Dimethylguanosine;1,7-DimethylguanosineME8158800.860.981.270.89
D-glycero-L-galacto-OctuloseME8155760.871.021.180.93
Malondialdehyde;Pyruvaldehyde;Acrylic acidME8155900.861.011.190.94
Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acidME8158270.900.971.180.95
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetalME8157920.870.961.210.96
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl)ME8159540.940.971.190.90
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-EthylglycineME8157600.960.991.190.86
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonateME8157220.921.011.220.84
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triolME8159370.881.001.210.91
D-GlucoseME8154600.901.011.220.87
cis-Acetylacrylate;NorfuraneolME8155800.910.991.220.88
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acidME8157150.910.991.200.89
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-ApioseME8157410.911.001.200.89
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetateME8159310.891.071.100.94
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2ME8156050.971.061.130.84
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acidME8157570.901.071.140.89
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1,5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2,3-diulose;Diethyl dicarbonateME8156970.951.021.140.89
cis-Acetylacrylate;Norfuraneol.2ME8155850.921.031.170.88
L-GlutamineME8155040.941.041.160.86
Trifluoroacetic acidME8156541.011.071.010.91
2-Hydroxycaproic acidME8154191.021.061.050.87
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+)ME8156890.971.071.070.88
L-TryptophanME8155190.971.071.080.87
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactoneME8156920.851.141.140.87
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonateME8156850.821.131.160.88
Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acidME8159670.921.201.130.75
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2ME8156390.921.131.100.85
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2ME8156660.951.111.130.80
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic AcidME8156770.911.161.130.80
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]ME8157081.080.851.200.86
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioateME8158931.130.821.210.84
Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acidME8159361.170.891.100.83
3-Hydroxymethylglutaric acidME8154211.140.851.130.88
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoateME8157051.110.881.150.86
L-2-Amino-3-(1-pyrazolyl)propanoic acidME8156831.040.941.150.88
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphateME8156631.070.961.140.83
4-HydroxyprolineME8154240.960.941.170.93
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acidME8157711.020.891.180.91
IndolepyruvateME8159481.000.881.170.94
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acidME8157950.930.871.061.14
Casimiroin.2ME8156011.030.861.101.01
p-Chlorobenzene sulfonyl ureaME8155951.030.891.080.99
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolaneME8158411.030.951.030.99
CasimiroinME8156000.970.971.061.00
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinolineME8159641.420.810.970.80
L-Dihydroorotic acidME8155021.340.881.040.73
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1,4-butanediolME8157361.270.861.040.83
D-2-Hydroxyglutaric acidME8154581.290.841.050.82
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acidME8155891.081.041.000.88
PiperidineME8155921.110.981.030.88
Caprylic acidME8154451.120.971.010.90
D-RiboseME8154631.130.981.000.90
2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynonanoic acidME8157461.090.961.040.92
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoateME8158741.120.941.030.91
(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acidME8160261.191.020.950.84
2-hydroxymexiletine;p-hydroxymexiletineME8155811.200.961.020.82
Methoxamine;Orciprenaline;IsoproterenolME8158461.190.980.980.84
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinolineME8158391.200.970.990.84
Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;MephedroneME8157511.141.031.020.81
N-Acetylarylamine;2^-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-PhenylacetamideME8158141.170.951.040.84
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol;a-Methyldopamine;4-HydroxynorephedrineME8157421.170.971.050.81
N,O-Didesmethyltramadol;N,N-DidesmethyltramadolME8157551.150.971.050.83
HomoarecolineME8158471.100.981.060.86
N-Acetyltaurine;Homocysteinesulfinic acidME8155981.130.961.080.84
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-DimethoxyphenylethylamineME8157801.140.951.130.78
2-DiethylaminoethanolME8157911.131.021.100.75
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-HydroxysebacateME8156281.091.011.130.78
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructoseME8155871.070.921.230.77
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2ME8156751.120.981.170.74
8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;(S)-p-Mentha-1,8-dien-10-yl acetate;Ethyl (2E,4E,7Z)-Decatrienoate;Perillyl acetate;(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1,8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol acetateME8159781.070.991.210.74
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3ME8156471.160.991.200.65
L-Pipecolic acidME8155151.151.061.100.68
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamideME8159381.171.031.130.66
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-AcetamidobutanalME8158281.161.041.120.68
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acidME8158101.240.971.050.74
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-HydroxyamphetamineME8158221.220.961.060.76
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-LeucineME8157891.200.981.090.73
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acidME8155791.190.991.060.75
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2,5-Dimethylphenol;3,4-Dimethylphenol;2,6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2,3-Dimethylphenol;1-Methoxy-2-methylbenzeneME8159071.201.001.050.75
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diolME8158211.191.001.060.76
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2^-Hydroxy-5^-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2^-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4^-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3^-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenoneME8158821.191.001.050.76
N-Desmethyl tapentadolME8158131.191.061.020.73
HexanoylcarnitineME8154841.231.111.010.66
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-DimethyluracilME8156431.211.071.060.67
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acidME8156231.540.521.290.66
Adenosine triphosphateME8154341.380.551.390.59
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-EthylglycineME8160011.500.621.350.53
6-Phosphonoglucono-D-lactoneME8154281.250.931.060.40
GuanineME8154811.280.691.030.53
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthaleneME8160511.380.831.120.67
Serotonin;CotinineME8157001.380.831.150.64
2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazineME8158611.420.871.130.58
TiglylcarnitineME8160201.380.851.200.57
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2ME8156111.280.881.260.57
Polyethylene, oxidizedME8159271.310.921.120.65
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;MethoxyphenamineME8157141.300.851.180.67
1-MethyladenosineME8154171.260.921.180.64
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolideME8158321.310.891.200.61
Isosorbide Mononitrate;gamma-Carboxyglutamic acidME8160081.310.881.170.63
3,4-Methylenesebacic acid;AllixinME8158671.300.891.180.63
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehydeME8160191.290.891.180.64
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactoneME8158421.200.741.300.75
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-IsoeucineME8157101.200.761.310.73
Glycerol 1-(5-hydroxydodecanoate)ME8157761.240.771.300.69
Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylateME8158601.250.761.280.71
Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-CaprolactoneME8159491.230.771.280.72
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acidME8157031.220.761.290.73
Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonateME8158621.320.751.300.63
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acidME8157991.230.781.340.66
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malateME8156271.270.781.280.67
Dicyclohexyl disulfideME8159941.260.791.300.64
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-AnisidineME8159731.190.851.180.77
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-AcetolactateME8158241.220.851.160.77
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylateME8158921.200.901.200.71
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;TyraminiumME8158491.170.891.200.75
1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucoseME8158431.230.861.250.67
1,11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1,4-Nonanediol diacetateME8159821.270.791.200.74
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehydeME8157831.230.811.230.74
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenalME8157781.230.731.240.81
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acidME8158681.130.811.270.79
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-ApioseME8158011.140.821.260.78
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;2,4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonateME8156781.170.791.260.77
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-oneME8158091.160.801.250.78
O-PhosphoethanolamineME8155421.240.921.440.40
2-hydroxymexiletine;p-hydroxymexiletine.2ME8155911.280.901.340.48
Nicotinamide ribosideME8155411.320.811.400.47
GlycineME8154791.430.911.230.43
N,N^-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidineME8158691.420.871.230.49
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);PyroglutamineME8158451.390.671.310.63
N6-Methyladenosine;2^-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3^-O-MethyladenosineME8159421.420.741.260.58
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2ME8155821.390.771.300.54
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2ME8156161.400.751.310.54
Glucose 6-phosphateME8154750.931.381.190.49
PyrophosphateME8159200.931.411.150.51
N-AcetylornithineME8155321.191.211.210.40
p-Chlorobenzene sulfonyl urea.5ME8155971.101.271.190.45
L-ProlineME8155160.631.341.380.65
IsovalerylcarnitineME8154920.681.241.560.52
(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;GlutamylprolineME8159700.741.261.560.45
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xylosideME8158710.741.241.540.49
L-LeucineME8155110.781.151.310.76
Piperidine.4ME8156190.791.151.300.76
N-Methyl-1-deoxynojirimycinME8159460.821.201.280.70
PyrrolidineME8159350.791.191.280.74
D-Ribulose 5-phosphateME8154650.821.181.260.73
L-ValineME8155210.821.191.240.74
L-IsoleucineME8155080.851.151.250.76
Piperidine.3ME8156370.841.151.290.72
N-AcetylhistidineME8159100.751.131.410.71
trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-)ME8158550.721.081.400.80
HypotaurineME8154860.751.191.450.61
Ribothymidine;3-Methyluridine;Imidazoleacetic acid ribosideME8158980.851.081.450.63
3-Methyl sulfoleneME8157060.831.121.400.65
L-MethionineME8155130.841.121.380.66
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-AcetolactateME8157960.950.941.280.82
L-CarnitineME8154991.001.021.210.77
L-CystathionineME8155000.990.991.300.72
GlucosamineME8154730.911.021.320.76
L-ThreonineME8155180.921.051.250.77
N-AcetylasparagineME8155281.001.111.240.65
L-LysineME8155121.021.071.250.67
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-AcetylaminobutanalME8156811.031.041.240.69
BetaineME8154430.941.111.220.73
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadioneME8160480.901.101.310.69
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acidME8157980.930.891.430.75
Sorbitol;Mannitol;Galactitol;L-IditolME8158200.940.991.360.71
L-HomoserineME8155070.911.031.380.69
L-AlanineME8154950.920.991.420.67
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acidME8158890.930.991.400.68
N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanalME8160290.941.001.390.67
TromethamineME8157500.830.901.360.90
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-oneME8157390.850.981.410.76
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-AcetolactateME8157200.830.991.360.82
S-AdenosylmethionineME8155570.651.091.530.73
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2ME8156070.690.941.590.78
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,⁴]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acidME8156800.780.991.560.66
Malonylcarnitine;O-malonyl-L-carnitine;LinamarinME8159960.701.001.660.64
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formateME8160280.861.051.710.38
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acidME8155940.990.921.480.61
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanoneME8160030.940.951.610.49
L-Glutamic acidME8155030.950.931.590.53
norcisaprideME8159950.950.951.580.52
Dimethylphosphate;EthylphosphateME8160120.921.001.500.58
Histidinyl-Asparagine;Asparaginyl-HistidineME8158290.851.021.550.59
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acidME8159140.880.951.570.60
N-Acetyl-glucosamine 1-phosphateME8155240.880.971.560.59
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.2ME8156520.981.141.360.52
N-Glycolylneuraminic acid;NeuNGcME8159320.861.141.460.53
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-HydroxystachydrineME8159160.941.091.520.44
Succinic acidME8155580.921.091.530.47
p-Chlorobenzene sulfonyl urea.2ME8156090.890.950.851.31
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acidME8159211.110.900.761.22
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3ME8156331.110.820.871.20
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acidME8160500.681.081.171.07
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acidME8157270.711.041.211.04
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-NonuloseME8158880.731.041.181.04
Glucaric acid;Galactaric acid;D-Glucaric acidME8157860.721.051.171.06
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acidME8159220.701.141.011.14
OrnithineME8155430.671.091.031.21
3-Amino-2-piperidone;N-MononitrosopiperazineME8159680.651.111.021.23
D-OrnithineME8155840.631.121.031.22
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;AcetamidopropanalME8156550.641.111.031.22
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acidME8158560.600.781.361.25
Alanylglycine;Ureidoisobutyric acid;D-GlutamineME8160450.820.721.191.27
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninateME8158540.720.871.161.25
Ureidopropionic acidME8155640.730.921.141.20
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrateME8158591.151.380.560.91
Ascorbic acid-2-sulfateME8157881.171.310.680.84
Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetateME8159001.131.350.740.78
N-acetyltryptophanME8155341.191.350.700.76
2,4-Dodecadienoic acid pyrrolidideME8158441.171.660.520.66
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;PropionylcholineME8156911.231.480.730.56
Argininosuccinic acidME8154401.041.520.800.63
Leucylproline;Isoleucylproline.2ME8156121.061.510.730.70
Leucylproline;IsoleucylprolineME8156100.981.670.690.66
N-Acetyl-L-methionineME8155270.921.700.760.62
L-CystineME8155010.751.550.580.91
MonoiodothyronineME8159880.881.540.521.06
Acetyl citrateME8158840.751.490.601.15
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4,5-dihydro-2(3H)furanone;3-Oxohexanoic acidME8156980.781.540.631.04
1-Methylhistidine.2ME8156060.831.220.831.12
L-Glyceric acidME8155050.841.230.761.17
Ascorbic acidME8154410.781.230.781.21
PhosphocreatineME8155490.781.230.781.21
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfideME8157280.971.300.661.06
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-VacciniinME8159760.951.450.700.90
1H-Indole-3-carboxaldehydeME8158871.011.370.700.92
Oxoglutaric acidME8155461.001.360.690.94
2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-MaleylacetateME8159430.911.380.740.97
alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-MethylbutyrateME8157480.951.330.730.99
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfideME8158400.821.420.721.05
Ureidosuccinic acidME8155650.891.420.681.00
Citric acidME8154510.901.380.810.91
D-glycero-L-galacto-Octulose.2ME8156080.881.410.800.91
L-SerineME8155170.811.370.840.99
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrolME8156260.871.360.780.99
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-)ME8156320.861.360.810.98
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acidME8160150.681.440.851.03
2-Hydroxyvaleric acidME8154200.731.221.041.01
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-LysopineME8157700.781.320.960.94
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-poolME8157640.771.310.901.02
1-MethylnicotinamideME8154180.851.270.910.97
Pyruvic acidME8155540.831.300.890.98
CitrullineME8154521.011.201.080.71
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycineME8158991.021.191.060.73
1-MethylhistidineME8155861.041.131.040.79
3-MethylhistidineME8154221.061.161.000.78
D-Glucuronic acidME8154611.021.181.160.64
Fumaric acidME8154701.101.241.070.59
Malic acidME8155221.111.211.070.61
1-Nitroheptane;2-Aminoheptanoate;3-DehydroxycarnitineME8157631.111.181.070.65
4-Trimethylammoniobutanoic acidME8154261.151.131.070.66
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;SarmentineME8158081.221.180.900.70
L-ArginineME8154961.051.290.980.68
RiboflavinME8155551.061.350.990.59
Kynurenic acidME8154931.051.330.910.71
N-Acetylaspartylglutamic acidME8155291.071.380.850.70
N-Acetyl-L-aspartic acidME8155261.101.360.850.70
(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5-trioxaneME8160521.061.260.920.76
Asymmetric dimethylarginineME8154421.061.250.880.81
CreatinineME8154541.131.260.880.73
UracilME8155631.141.260.830.77
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-MethylhistamineME8158300.871.590.890.64
CytidineME8154550.971.470.830.73
D-Ornithine.2ME8156130.921.470.820.79
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2^,6^-Dihydroxy-4^-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2^,4^-Dihydroxy-6^-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-HydroxyphenyllactateME8158370.841.540.870.74
Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic AcidME8158020.851.450.920.78
Phenol sulphateME8157010.821.490.880.80
L-PhenylalanineME8155140.851.281.090.79
N-Acetyl-D-glucosamineME8155230.871.291.070.77
N-UndecanoylglycineME8157300.801.281.040.89
Orotic acidME8155440.871.201.050.88
CholineME8154480.781.411.060.75
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolideME8158630.881.410.980.73
Pantothenic acidME8155480.891.361.020.74
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedioneME8155751.001.280.970.75
Hydroxylated lecithinME8159040.971.320.930.78
L-Lactic acidME8155100.861.330.970.83
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehydeME8158480.921.380.910.79
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate, gamma-methyl ester;(±)-2,2^-Iminobispropanoic acidME8159870.891.380.880.84
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acidME8159191.231.040.691.04
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-ProlineME8158971.291.060.641.02
4-Pyridoxic acidME8154251.121.090.681.10
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2ME8156881.101.190.591.12
ChloramphenicolME8156940.961.100.941.00
SulfateME8156930.941.100.921.04
Uric acidME8155660.921.051.011.02
Glyceric acid;D-2,3-Dihydroxypropanoic acidME8159120.951.040.951.06
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acidME8159150.931.030.951.09
Urate radicalME8158720.961.010.951.08
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-HydroxycineolME8160051.051.070.811.08
AllantoinME8154381.071.080.870.98
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2ME8156361.081.010.881.03
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronateME8159501.041.040.931.00
(2-oxoethoxy)sulfonic acidME8158911.111.120.910.85
N(6)-Methyllysine;Bethanechol;Putreanine;IsoputreanineME8158731.131.120.940.81
p-Cresol sulfate;Benzyl sulfateME8157071.071.170.890.87
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionateME8156251.061.140.960.84
Tetrahydro-2,5-furan-diacetic acidME8160091.031.140.940.89
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfateME8157130.901.220.950.93
DeoxyuridineME8154670.981.180.940.91
OrotidineME8159690.981.190.950.87
CreatineME8154530.991.190.980.84
L-AcetylcarnitineME8154940.991.180.970.86
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1,4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-oneME8157661.041.190.790.99
PseudouridineME8159281.041.200.770.98
ThymidineME8155621.091.280.800.83
1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4,5-benzoxazole;MandelonitrileME8159091.071.240.810.89
N-Acetyl-L-alanineME8155251.061.240.840.86
Indoxyl sulfateME8154891.051.250.770.92
CytosineME8154571.021.310.760.91
N-Formyl-L-methionineME8155351.001.320.770.91
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2ME8156531.161.100.830.91
Ne,Ne dimethyllysineME8159021.131.090.820.96
5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;2,6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanoneME8159051.141.180.710.96
alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactoneME8160171.221.140.720.92
AspartylglycosamineME8159930.311.311.271.10
N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2^-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-PhenylacetamideME8159290.691.401.060.85
L-TyrosineME8155200.671.381.070.88
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarateME8157120.671.371.080.88
Dihydrouracil;N-Methylhydantoin;L-3-CyanoalanineME8159410.721.251.190.85
D-FructoseME8154590.701.321.130.85
L-AsparagineME8154970.751.301.110.83
Glycyl-Lysine;Lysyl-GlycineME8159860.621.231.160.99
L-HistidineME8155060.541.261.260.94
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2ME8156580.701.561.200.54
Beta-Guanidinopropionic acid.3ME8156730.611.581.220.59
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanoneME8157870.601.581.240.58
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;IsovalerylalanineME8159250.771.511.060.66
Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetalME8158190.661.561.100.67
Imidazoleacetic acidME8154880.551.631.010.80
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2ME8156380.471.861.030.64
AICARME8154371.12NA1.050.41
Acetyl-CoAME8154291.14NA0.93NA
ADP-glucoseME8154361.31NA0.69NA
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acidME8159400.270.482.680.57
3-Oxoglutaric acidME8156290.440.412.520.64
PimelylcarnitineME8160110.520.502.430.55
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucosideME8159800.540.492.730.25
N-(1-Deoxy-1-fructosyl)histidine.2ME8156690.700.322.730.26
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;DehydrowarfarinME8160140.520.123.050.31
GlutarylcarnitineME8157320.570.262.950.22
3-Methylglutarylcarnitine;O-AdipoylcarnitineME8157180.490.332.920.26
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-AcetamidobutanalME8159900.470.362.860.32
Xanthylic acid;5^-xanthylate(2-)ME8160180.810.113.040.05
MethylphosphateME8158830.900.182.740.18
Tolmetin glucuronideME8157930.930.142.790.14
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2ME8156310.790.222.840.15
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;GlutamylisoleucineME8157170.780.162.860.20
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-GlutamateME8160341.060.102.610.23
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneME8158500.860.282.620.24
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-EME8157940.880.242.670.21
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidME8160350.910.342.590.16
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acidME8155781.010.292.560.14
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructoseME8156021.050.402.390.16
Ophthalmic acidME8157401.120.342.410.13
6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3^,4^,7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4^-Hydroxyfenoprofen glucuronideME8160251.060.392.290.26
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3ME8156201.110.332.310.24
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamateME8159811.080.342.320.27
Zileuton O-glucuronideME8160241.060.342.350.26
N-Succinyl-L,L-2,6-diaminopimelateME8156560.990.372.370.27
TenofovirME8159470.990.392.380.24
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-HydroxyprolineME8156340.960.332.430.29
Saccharopine;L-saccharopinate(1-)ME8158661.030.302.400.26
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-)ME8159010.820.472.440.28
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedioneME8156220.990.432.290.29
HirsutinME8156700.890.462.330.32
Muramic acid;N-(1-Deoxy-1-fructosyl)alanineME8155830.940.422.340.31
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2^-Iminobispropanoic acid;hydroxybutyrylglycineME8160101.230.432.200.13
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acidME8157291.160.232.450.16
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2ME8156671.100.252.470.18
Adenosine monophosphateME8154331.300.242.310.15
D-Fructosazine;Isomugineic acidME8159751.310.242.350.10
Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamateME8160301.330.222.320.12
N-(1-Deoxy-1-fructosyl)histidineME8156681.200.242.380.18
6,8-Dihydroxypurine;OxypurinolME8159911.200.282.310.20
XanthosineME8157341.200.292.280.24
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3ME8156151.630.072.200.10
CiticolineME8154501.530.142.310.19
ZanamivirME8157611.430.102.300.17
Kuwanon ZME8158001.450.012.490.05
S-(Formylmethyl)glutathioneME8157161.290.042.570.11
GlutathioneME8154761.340.092.370.20
GlycodiazineME8157821.290.082.450.17
Uridine diphosphate-N-acetylglucosamineME8155691.880.122.040.13
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione.2ME8156141.670.251.980.11
2,4-Diamino-6-nitrotoluene;(S)-SpinacineME8157351.600.292.020.10
ADPME8154351.850.391.370.43
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-olME8157311.910.561.220.31
CDP-EthanolamineME8154472.050.241.310.25
(E)-Avenanthramide D;Avenanthramide 1pME8157591.940.261.620.17
Threonic acid;Erythronic acid;L-threonic Acid.2ME8156652.030.341.500.14
AdenosineME8154321.610.291.640.46
Inosinic acidME8154911.710.451.520.19
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2ME8156491.870.441.480.22
L-Homocysteic acidME8156441.800.491.470.24
NADME8155381.820.211.780.19
1-(sn-Glycero-3-phospho)-1D-myo-inositolME8156571.720.331.630.32
Oxidized glutathioneME8155451.720.391.640.26
S-AdenosylhomocysteineME8155561.760.371.690.19
1-Isothiocyanato-7-(methylsulfinyl)heptaneME8157491.630.391.770.21
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycineME8157241.680.401.720.20
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2^-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acidME8160401.041.441.410.11
4-Guanidinobutanoic acidME8157540.941.241.520.30
XanthineME8155731.031.121.670.18
SulfaphenazoleME8160040.770.772.220.25
PropionylcarnitineME8155520.730.891.950.43
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;LotaustralinME8158860.670.951.970.41
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione.2ME8156511.010.421.980.59
Glycerol 3-phosphateME8154771.050.492.120.35
Aminoadipic acidME8154390.950.532.140.38
UridineME8155670.910.532.150.41
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-DeoxynojirimycinME8159920.890.422.140.55
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol.2ME8156500.840.582.070.51
Guanidinosuccinic acidME8157731.040.571.930.46
N-Acetyltaurine;Homocysteinesulfinic acid.2ME8156481.120.621.820.44
N6-Acetyl-L-lysineME8155360.960.681.830.53
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucineME8157680.930.591.890.59
N-lactoyl-MethionineME8158230.950.611.910.53
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitineME8157450.930.751.920.41
N-Acetylglutamic acidME8155301.000.691.880.43
Glycerylphosphorylethanolamine;sn-glycero-3-PhosphoethanolamineME8157621.050.711.770.47
L-Aspartic acidME8154980.950.781.800.47
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracilME8159510.680.741.880.70
N-AcetylglutamineME8155310.710.681.990.62
N-(1-Deoxy-1-fructosyl)tyrosineME8159330.850.801.780.57
N-(1-Deoxy-1-fructosyl)valineME8158310.900.791.700.62
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-iumME8157740.800.781.710.71
GlycerophosphocholineME8154780.850.681.790.68
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoateME8158571.190.721.720.36
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoateME8158261.160.841.700.30
D-Sedoheptulose 7-phosphateME8154661.150.831.580.44
ThiamineME8155601.200.731.610.46
Glucosamine 6-phosphateME8154741.120.991.560.44
ButyrylcarnitineME8154441.070.871.550.51
Fructose 6-phosphateME8154691.020.911.620.45
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadioneME8157471.060.841.630.47
3-[(3-Methylbutyl)nitrosoamino]-2-butanoneME8159451.060.581.650.71
N-Succinyl-L,L-2,6-diaminopimelate.2ME8156611.140.581.630.65
1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonateME8158641.300.741.390.57
Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;PantolactoneME8159551.280.691.380.65
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoateME8155931.300.691.380.64
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2ME8155961.140.711.570.58
Dioscorine;N,N,O-TridesmethyltramadolME8160431.220.661.520.60
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin AME8158061.270.681.450.59
Undecanedioic acid;Butyl butyryllactateME8157021.260.671.460.62
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinoneME8158051.170.791.440.59
Galactonic acidME8154711.170.721.500.62
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehydeME8159341.220.731.490.56
DiethanolamineME8156861.190.751.490.58
Garcinia acidME8157111.570.541.520.36
3-Sulfinato-L-alaninate;3-SulfinoalanineME8158341.440.741.500.31
Hexylamine;TriethylamineME8158351.540.741.430.29
FADME8154681.400.471.590.54
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serineME8158851.410.641.590.36
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxideME8159561.360.651.520.47
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2ME8156181.250.621.640.49
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrolME8158381.290.651.590.46
Threonic acid;Erythronic acid;L-threonic AcidME8156641.340.621.600.44
Thiamine monophosphateME8155611.170.451.790.23
N-Acetyltaurine;Homocysteinesulfinic acid.3ME8156171.270.541.710.48
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfateME8160001.320.591.770.33
Hirsutin.2ME8156761.260.581.790.37
Lysyl-Valine;Valyl-LysineME8158331.300.551.800.35
HypoxanthineME8154871.230.841.810.12
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproateME8160361.340.721.820.12
Cytidine monophosphateME8154561.530.651.710.20
Protocatechuic acid;Gentisic acid;3,5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2,4-Dihydroxybenzoic acid;2,6-Dihydroxybenzoic acid;Patulin;2,4,6-trihydroxybenzaldehydeME8159981.380.571.870.18
CaproylcholineME8157251.240.232.140.38
Uridine 5^-monophosphateME8155681.370.182.110.21
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoateME8158781.270.352.110.27
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfideME8156211.360.352.030.26
InosineME8154901.280.331.960.32
AdenineME8154311.330.431.920.32
p-Chlorobenzene sulfonyl urea.3ME8156031.400.391.880.33
Gluconic acidME8154721.130.472.000.41
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2ME8160331.150.432.080.34
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3ME8156041.200.482.030.30
N-(1-Deoxy-1-fructosyl)threonineME8157431.150.601.970.29
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yneME8160381.120.701.940.24
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acidME8158521.250.532.020.19
Guanosine monophosphateME8154831.260.601.890.25
NiacinamideME8155401.260.481.950.30
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithineME8160321.230.531.900.35

Factors:

F1Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F
F2Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F
F3Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F
F4Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F
Data matrix
  logo