Clustering data with hclust algorithm for (Study ST002977)

HILIC NEGATIVE ION MODE (Analysis AN004888)
MetaboliteStructureF1F2F3F4
SULFURIC ACID [(2R,3S,4S,5R)-3,4,5-TRIHYDROXY-6-[2,4,6-TRICHLORO-3-[2-[IMIDAZOLE-1-CARBONYL(PROPYL)AMINO]ETHOXY]PHENOXY]TETRAHYDROPYRAN-2-YL]METHYL ESTERME7714610.002.37NANA
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFANYL]PROPANOIC ACIDME7717040.002.37NANA
SODIUM;(2S,4S,5R,6R)-5-ACETAMIDO-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-2-[[(2R,3S,4R,5R)-4,5,6-TRIHYDROXY-3-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHOXY]TETRAHYDROPYRAN-2-CARBOXYLATEME7716260.002.37NANA
RUTINME7712210.012.37NANA
N-STEAROYL TAURINEME7712860.012.37NANA
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}ETHANIMIDIC ACIDME7711870.012.37NANA
GLYCOCHOLIC ACIDME7710170.012.37NANA
DAIDZEINME7710500.012.37NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDEME7714220.012.37NANA
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-6-[2-(4-HYDROXYPHENYL)ETHOXY]-2-METHYLOL-TETRAHYDROPYRAN-3,4-DIOLME7718290.012.37NANA
3-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONEME7712840.012.37NANA
9-METHOXY-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYPHENYL]-[1,3]DIOXOLO[4,5-G]CHROMEN-8-ONEME7711580.022.35NANA
7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(4-HYDROXYPHENYL)-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-CHROMONEME7717980.022.35NANA
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PHENYL-3H-1,4-BENZODIAZEPIN-3-YL)OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACIDME7716840.022.35NANA
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4H-CHROMEN-4-ONEME7713560.022.35NANA
1,3,5-TRIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACIDME7712030.022.35NANA
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,5-DIHYDROXY-4-[(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACIDME7710730.022.35NANA
TAUROCHOLIC ACIDME7710330.022.36NANA
SULFURIC ACID [(1R,2R,3R)-3-ACETAMIDO-1-[(1R)-1,2-DIHYDROXYETHYL]-2-HYDROXY-4-KETO-BUTYL] ESTERME7714130.022.36NANA
ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-D-GLUCOSEME7714240.022.36NANA
GLYCOURSODEOXYCHOLIC ACIDME7709810.022.36NANA
3-[(2S,4S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXYMETHYL]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMONEME7717130.012.35NANA
SPINACETIN 3-GENTIOBIOSIDEME7715770.012.36NANA
BETA-D-FRUCTOFURANOSYL ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRANOSIDEME7711720.012.36NANA
7.ALPHA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL GLUCURONIDEME7717420.012.36NANA
(1S)-1,5-ANHYDRO-2-O-(ALPHA-L-RHAMNOPYRANOSYL)-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL]-D-GLUCITOLME7712990.012.36NANA
4-HYDROXY-3,5,5-TRIMETHYL-4-[(1E)-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]BUT-1-EN-1-YL]CYCLOHEX-2-EN-1-ONEME7715600.012.36NANA
TAURODEOXYCHOLIC ACIDME7710640.042.34NANA
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDEME7712630.042.34NANA
(1S)-1,5-ANHYDRO-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-6-YL]-D-GLUCITOLME7713200.042.34NANA
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-HEXANALME7711130.042.34NANA
GENISTEIN 7-O-APIOSYL-(1->6)-GLUCOSIDEME7718040.042.33NANA
ETHYL 3,4,5-TRIHYDROXYBENZOATEME7714790.042.33NANA
(4Z)-3,5,5-TRIMETHYL-4-[3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYBUTYLIDENE]CYCLOHEX-2-EN-1-ONEME7714100.042.33NANA
3-[(2S,3R,4R,5R,6S)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMONEME7710700.042.33NANA
2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXYBENZOIC ACID METHYL ESTERME7718080.042.33NANA
(2S)-3-(4-HYDROXYPHENYL)-2-[[(E)-3-(4-HYDROXYPHENYL)ACRYLOYL]AMINO]PROPIONIC ACIDME7717000.042.33NANA
VITEXINME7714330.032.34NANA
TAUROCHENODEOXYCHOLIC ACIDME7709570.032.34NANA
SULFURIC ACID [4-(7-HYDROXY-4-OXO-1-BENZOPYRAN-3-YL)PHENYL] ESTERME7716090.032.34NANA
ANDROSTERONE 3-GLUCURONIDEME7718070.032.34NANA
5-HYDROXYPSEUDOBAPTIGENINME7710840.032.34NANA
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-[(2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYLOXY]CYCLOHEXANECARBOXYLIC ACIDME7710830.032.34NANA
3-(4-HYDROXYPHENYL)-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]PHENYL]PROPAN-1-ONEME7714960.032.34NANA
(2R,3S,4S,5R,6S)-2-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]-6-(3,4,5-TRIMETHOXYPHENOXY)TETRAHYDROPYRAN-3,4,5-TRIOLME7711790.032.35NANA
SALSOLINOLME7712140.032.35NANA
(2S,4S,5R,6R)-5-ACETAMIDO-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5-ACETAMIDO-1,2-DIHYDROXY-6-OXO-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-3-YL]OXY}-3,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACIDME7716970.062.31NANA
2-HYDROXY-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONEME7714820.062.31NANA
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-PHENETHOXY-TETRAHYDROPYRAN-3,4,5-TRIOLME7711910.062.31NANA
N-[(2S,3R,4R,5S,6R)-5-HYDROXY-6-METHYLOL-2-[(2S,3R,4S,5S,6R)-2,3,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-4-YL]OXY-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDEME7716020.062.32NANA
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(4-HYDROXYPHENYL)ETHYL]PENTYL] ESTERME7712010.062.32NANA
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-2-PHENETHOXY-TETRAHYDROPYRAN-3-YL]OXYTETRAHYDROPYRAN-3,4,5-TRIOLME7711020.062.32NANA
3-(4-HYDROXYPHENYL)-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4H-CHROMEN-4-ONEME7716950.062.32NANA
GENISTEINME7710250.052.33NANA
APIINME7717310.052.33NANA
2-(OCT-1-EN-3-YLOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOLME7718180.052.33NANA
2,7-ANHYDRO-BETA-D-ALTRO-HEPT-2-ULOPYRANOSEME7716330.052.33NANA
2-BENZOYLBENZOIC ACIDME7711560.052.33NANA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2S,3S,4R,5R)-4-HYDROXY-2,5-DIMETHYLOL-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROFURAN-3-YL] ESTERME7718550.052.32NANA
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-3,4-BIS(OXIDANYL)OXAN-2-YL]-2-(4-HYDROXYPHENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONEME7717220.052.32NANA
3-CHLORO-5-METHYL-PYROCATECHOLME7714460.052.32NANA
2-(ETHYLTHIO)-6-METHOXY-1H-BENZIMIDAZOLEME7711240.052.32NANA
(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL 3,4,5-TRIHYDROXYBENZOATEME7712940.052.32NANA
3-ISOPROPYLCATECHOLME7715260.132.25NANA
(Z)-3-(4-HYDROXYPHENYL)-N-[4-[[(Z)-3-(4-HYDROXYPHENYL)ACRYLOYL]AMINO]BUTYL]ACRYLAMIDEME7713750.132.24NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-4H-CHROMEN-4-ONEME7711570.132.24NANA
2-HEXOXY-6-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOLME7713700.132.24NANA
3,3^-OXYBIS(5-METHYLBENZENE-1,2-DIOL)ME7715460.132.24NANA
2-METHYLOL-6-[(E)-1-METHYL-3-(1,2,4-TRIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEXYL)ALLYLOXY]TETRAHYDROPYRAN-3,4,5-TRIOLME7715360.142.23NANA
4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBUT-1-ENYL]-3,5,5-TRIMETHYL-CYCLOHEX-2-EN-1-ONEME7712170.142.24NANA
5,7-DIHYDROXY-2-[4-HYDROXY-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-PHENYL]-3-METHOXY-CHROMONEME7710610.142.24NANA
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEXANECARBOXYLIC ACIDME7714880.112.25NANA
(2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)PROP-2-ENOIC ACIDME7711840.112.25NANA
NARCISSINME7714580.112.26NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)CHROMAN-4-ONEME7713880.112.26NANA
2-[2-[1-[2-[4-[4,5-DIHYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-1,2,4A,5-TETRAMETHYL-2,3,4,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]ETHYL]-1-METHYL-ALLYLOXY]-5-HYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-4-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOLME7710990.112.26NANA
4-(3,4-DICARBOXYPHENOXY)PHTHALIC ACIDME7710580.112.26NANA
4-HYDROXYBENZOIC ACID [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-2-(4-HYDROXYPHENOXY)-6-METHYLOL-TETRAHYDROPYRAN-3-YL]OXY-3,4-DIHYDROXY-TETRAHYDROFURAN-3-YL]METHYL ESTERME7716320.122.26NANA
7-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]OXAN-2-YL]OXY}-5-HYDROXY-2-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONEME7717250.122.25NANA
5-[(2-CHLOROACETYL)AMINO]-2-HYDROXY-BENZOIC ACIDME7714890.122.25NANA
4-O-P-COUMAROYLQUINIC ACIDME7713380.122.25NANA
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCT-8-YL]-3-METHYLPENTA-2,4-DIENOIC ACIDME7715220.122.25NANA
4-HYDROXYBENZOIC ACID [(3R,3AS,4S,8AR)-3-HYDROXY-3-ISOPROPYL-6,8A-DIMETHYL-1,2,3A,4,5,8-HEXAHYDROAZULEN-4-YL] ESTERME7711220.122.25NANA
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(METHYLAMINO)ETHOXY]PHOSPHINIC ACIDME7712900.082.30NANA
2-[(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-6-(2-METHYLBUTOXY)TETRAHYDROPYRAN-3,4,5-TRIOLME7713830.082.29NANA
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-2-METHYLOL-6-PHENETHOXY-TETRAHYDROPYRAN-3,4-DIOLME7718030.082.29NANA
NARIRUTINME7712120.072.31NANA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [3,4-DIHYDROXY-5-METHYLOL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROFURAN-2-YL]METHYL ESTERME7717110.072.31NANA
N2,N2-DIMETHYLGUANOSINEME7717720.072.31NANA
5-ACETAMIDO-4-KETO-HEXANOIC ACIDME7717610.072.29NANA
N-PALMITOYL TAURINEME7712890.072.30NANA
ETHYL GLUCURONIDEME7712310.072.30NANA
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-[(2R,3S,4R,5R,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXYOXAN-3-YL]OXY-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOLME7717080.072.30NANA
3-(7-METHOXY-1,3-BENZODIOXOL-5-YL)PHENOLME7714250.072.30NANA
RIBOFLAVINME7709550.092.29NANA
SUCRALOSEME7715920.092.28NANA
DIOSMINME7709840.092.28NANA
2-{[(2Z)-3-(3,5-DIMETHOXY-4-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)PROP-2-EN-1-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOLME7717750.092.28NANA
3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONEME7711280.092.28NANA
1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONEME7714540.112.27NANA
TAUROLITHOCHOLATE SULFATEME7712050.102.28NANA
COATLINE BME7712870.102.27NANA
9-HYDROXY-2,6,12-TRIMETHYL-12-[2-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYETHYL]-15-OXATETRACYCLO[8.4.1.01,10.02,7]PENTADECANE-6-CARBOXYLIC ACIDME7718460.102.27NANA
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACIDME7715200.102.27NANA
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACIDME7717700.102.27NANA
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLAMIDEME7715720.162.22NANA
APIGENINME7710000.162.22NANA
15,17-DIHYDROXY-9-METHYL-4,10-DIOXATRICYCLO[11.4.0.03,5]HEPTADECA-1(13),14,16-TRIENE-2,11-QUINONEME7710960.162.22NANA
2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACIDME7714800.162.22NANA
SHIKIMIC ACIDME7709930.152.22NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-6-(3,4,5-TRIHYDROXYOXAN-2-YL)-4H-CHROMEN-4-ONEME7713540.152.22NANA
SCHAFTOSIDEME7713080.152.22NANA
(2R,3S,4R,5R)-2,3,4,5,6,7-HEXAHYDROXYENANTHIC ACIDME7712680.152.21NANA
L-LEUCYL-L-ISOLEUCINEME7710670.162.21NANA
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-QUINONEME7712930.162.21NANA
5-[[(2R,3S,4S,5R,6S)-3,4-DIHYDROXY-6-[5-HYDROXY-2-(4-HYDROXYPHENYL)-4-KETO-CHROMAN-7-YL]OXY-5-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHOXY]-3-HYDROXY-5-KETO-3-METHYL-VALERIC ACIDME7717230.162.21NANA
5-[(E)-2-(3-HYDROXY-4-METHOXY-PHENYL)VINYL]RESORCINOLME7713640.172.21NANA
ISOMALTOSEME7711400.172.20NANA
ARABINONIC ACIDME7713980.172.20NANA
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)CHROMAN-4-ONEME7715880.172.20NANA
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TETRAHYDROXYBUTYL]TETRAHYDROFURAN-2-ONEME7713350.172.20NANA
LEUCROSEME7716180.182.19NANA
N-ACETYLTHREONINEME7713600.172.19NANA
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACIDME7709820.192.19NANA
5-ETHANOYL-8-OXIDANYL-1H-QUINOLIN-2-ONEME7713660.192.18NANA
1,7-BIS(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONEME7714560.192.18NANA
{3-HYDROXY-5-[(E)-2-(4-HYDROXYPHENYL)ETHENYL]PHENYL}OXIDANESULFONIC ACIDME7711470.192.18NANA
PHEOPHORBIDE AME7717300.202.18NANA
(2E)-3-(3-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACIDME7713960.202.17NANA
(3R,4R)-3-HYDROXY-3,4-DIVANILLYL-TETRAHYDROFURAN-2-ONEME7715620.202.17NANA
3-(METHANESULFONAMIDO)BENZOIC ACIDME7718250.192.14NANA
5-OXOTETRAHYDROFURAN-2,3-DICARBOXYLIC ACIDME7714600.182.15NANA
PALATINOSEME7713720.212.16NANA
2-(4-HYDROXYPHENYL)-6-[(E)-2-(4-HYDROXYPHENYL)VINYL]-2,3-DIHYDROPYRAN-4-ONEME7715310.212.16NANA
COATLINE AME7711150.212.16NANA
2-SUCCINIMIDOACETIC ACIDME7715650.222.15NANA
N-(1,3-BENZOTHIAZOL-2-YL)METHANESULFONAMIDEME7712180.212.14NANA
2-[(2S,3E,4S)-5-CARBOMETHOXY-3-ETHYLIDENE-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4H-PYRAN-4-YL]ACETIC ACIDME7715320.242.14NANA
ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTOPYRANOSYL-(1->6)-D-GLUCOSEME7711730.232.15NANA
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S,10S,13S,14S)-17-KETO-10,13-DIMETHYL-1-METHYLENE-3,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-2H-CYCLOPENTA[A]PHENANTHREN-3-YL]OXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACIDME7713230.232.14NANA
ETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATEME7714990.232.14NANA
MYO-INOSITOLME7709640.252.12NANA
FAHFA 4:0/23:0ME7711890.252.12NANA
FAHFA 3:0/24:0ME7713010.252.12NANA
3-(2,6-DIHYDROXY-4-METHYLPHENOXY)-5-METHYLBENZENE-1,2-DIOLME7714490.252.12NANA
BENZOIC ACIDME7715090.252.12NANA
2-ISOPROPYLMALIC ACIDME7710770.232.12NANA
(E)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(E)-3-(4-HYDROXYPHENYL)ACRYLOYL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-ACRYLIC ACIDME7717340.242.12NANA
GLYCYLGLYCYL-L-LEUCINEME7715290.242.13NANA
(E)-4-(3,4-DIHYDROXYPHENYL)BUT-3-EN-2-ONEME7715420.242.13NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)CHROMONEME7712770.242.13NANA
2-HYDROXYPENTANEDIOIC ACIDME7712080.242.13NANA
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-CYCLOHEXYLIDENE]BUT-3-EN-2-ONEME7713510.242.13NANA
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-HYDROXY-5-PHENYL-3H-1,4-BENZODIAZEPIN-3-YL)OXY]-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACIDME7716240.262.11NANA
GLUCOSANME7714510.262.11NANA
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-2,4-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-3-YL]ACETAMIDEME7715160.272.11NANA
N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]ADAMANTANE-1-CARBOXAMIDEME7715730.272.11NANA
(1S,2R,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYCYCLOHEXANE-1,2,3,4,5-PENTOLME7714740.272.11NANA
3-ISOCHROMANONEME7712230.272.11NANA
3,6-DIBENZYL-1,4-DIOXANE-2,5-QUINONEME7710680.272.10NANA
3-(2-HYDROXYPHENYL)PROPANOIC ACIDME7711060.272.10NANA
(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-METHOXYPHENYL)ETHYL]PROP-2-ENAMIDEME7712480.272.10NANA
2-HYDROXY-3-PHENYLPROPANOIC ACIDME7710310.272.10NANA
2-(16,18-DIKETO-17-AZAPENTACYCLO[6.6.5.02,7.09,14.015,19]NONADECA-2,4,6,9,11,13-HEXAEN-17-YL)ACETIC ACIDME7713570.302.08NANA
2-KETO-5-SULFO-1H-PYRIDINE-3-CARBOXYLIC ACIDME7715690.302.08NANA
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-(1H-INDOL-3-YLOXY)TETRAHYDROPYRAN-3,4,5-TRIOLME7713590.292.09NANA
4-KETO-1H-QUINOLINE-3-CARBOXYLIC ACIDME7716630.292.09NANA
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACIDME7713140.292.08NANA
LEIOCARPOSIDEME7715100.292.08NANA
2-KETO-2-(METHYLAMINO)ACETIC ACIDME7711610.272.08NANA
2,4,6-TRIHYDROXYBENZOIC ACIDME7716540.282.10NANA
COPROPORPHYRIN IME7714830.282.09NANA
ERYTHROSEME7718470.282.09NANA
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6AR,6BS,8AS,12AS,14BR)-8A-[(2S,3R,4S,5R,6R)-5-ACETOXY-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-DIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-3-HYDROXY-6-METHYL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYCARBONYL-4-FORMYL-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-3-HYDROXY-5-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACIDME7711230.262.00NANA
4-METHYLPIPERIDINE-2,6-QUINONEME7717400.362.01NANA
ALPHA-D-MANNOPYRANOSYL-(1->3)-D-MANNOPYRANOSEME7713860.362.01NANA
(4S)-4-AMINO-2,2-DIMETHYL-GLUTARIC ACIDME7711930.362.02NANA
(E)-2-METHYLBUT-2-ENOIC ACID [6-[[6-(3,4-DIHYDROXY-2,5-DIMETHYLOL-TETRAHYDROFURAN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHOXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHYL ESTERME7712190.362.02NANA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-3-YL BETA-D-GLUCOPYRANOSIDURONIC ACIDME7716270.352.02NANA
LUTEOLINME7709890.352.03NANA
SULFOACETIC ACIDME7715820.352.03NANA
(1R,3R,4S,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,5-DIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACIDME7712710.342.03NANA
ISOACETOVANILLONEME7715430.342.03NANA
5-AMINOIMIDAZOLE-4-CARBOXAMIDEME7709740.342.04NANA
P-HYDROXYPHENYLACETIC ACIDME7715300.342.04NANA
N-ACETYLGLYCINEME7710070.302.03NANA
2-[(2-ACETAMIDOACETYL)AMINO]ACETIC ACIDME7718500.302.05NANA
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(9-HYDROXY-8-KETO-7-METHOXY-[1,3]DIOXOLO[4,5-G]CHROMEN-6-YL)PHENOXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACIDME7711030.312.05NANA
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}-1,3,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACIDME7716400.322.05NANA
(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID [2,6-DIHYDROXY-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-CYCLOHEX-3-EN-1-YL] ESTERME7716480.322.05NANA
2,3-DIHYDROXY-3-METHYLBUTANOIC ACIDME7712500.332.05NANA
PROTOCATECHUIC ACIDME7715450.332.05NANA
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYLPENTA-2,4-DIENOIC ACIDME7712400.322.06NANA
2-AMINO-5-CHLORO-4-METHYL-BESYLIC ACIDME7714930.322.06NANA
(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYHEXANE-1,2,3,5,6-PENTOLME7710320.322.06NANA
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONEME7711990.312.07NANA
(1R,3R,4S,5R)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACIDME7713990.312.06NANA
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2,3,5-TRIOLME7713470.312.06NANA
(2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-{[(2R,3S,4R,5R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}OXAN-4-YL]OXY}-6-METHYLOXANE-3,4,5-TRIOLME7710630.371.94NANA
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-7-KETO-10,13-DIMETHYL-1,2,3,4,5,6,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACIDME7714090.411.97NANA
ISOVALERYLGLYCINEME7710510.401.97NANA
CARNOSINEME7709670.401.97NANA
(2R,3R,4R,5R,6S)-2-[(4S,6R,7S,8R,9S,13R,14R,16R)-14-[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-7,9,13-TRIMETHYL-5^-METHYLENE-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOLME7713900.401.97NANA
4-(3-HYDROXYPROPYL)-2-METHOXYPHENOLME7713170.401.97NANA
2-ACETAMIDO-2-DEOXY-D-GALACTITOLME7716170.391.98NANA
3,5-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-4H-CHROMEN-4-ONEME7713190.401.98NANA
ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-ALPHA-D-GALACTOPYRANOSYL-(1->3)-D-GALACTOPYRANOSEME7711940.401.98NANA
HEXANOYLGLYCINEME7718000.372.00NANA
2-[(2-PHENYLACETYL)AMINO]-5-UREIDO-VALERIC ACIDME7711690.391.99NANA
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONEME7714120.381.99NANA
11-HYDROXY-9-(HYDROXYMETHYL)-2-(METHOXYCARBONYL)-2,6A,6B,9,12A-PENTAMETHYL-10-[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACIDME7714320.381.99NANA
3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACIDME7711520.381.99NANA
QUERCETINME7717650.441.94NANA
4-(3-METHYLOL-4-VANILLYL-TETRAHYDROFURAN-2-YL)PYROCATECHOLME7714380.451.93NANA
(2S)-2-[[(2S)-2-AMINO-4-METHYL-PENTANOYL]AMINO]SUCCINIC ACIDME7711480.441.93NANA
(2S)-5-GUANIDINO-2-(LAUROYLAMINO)VALERIC ACIDME7715330.441.93NANA
7-HYDROXY-3-(2-HYDROXYETHYL)-4-METHYL-2H-CHROMEN-2-ONEME7714730.431.95NANA
4-KETOPIMELIC ACIDME7717940.421.94NANA
(E)-9-(1,3-BENZODIOXOL-5-YL)NON-8-ENOIC ACIDME7711700.431.94NANA
4-ACETAMIDOBUTANOIC ACIDME7710300.411.95NANA
(2R)-2,4-BIS(3,4,5-TRIMETHOXYPHENYL)-1,3-DIOXOLANEME7711460.421.95NANA
(10)-GINGEROLME7710570.421.95NANA
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]INDOL-3-YL]ACETIC ACIDME7713160.421.95NANA
LPC(14:0)ME7718190.421.96NANA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDEME7715540.411.96NANA
2-HYDROXY-3-{[3,4,5-TRIHYDROXY-6-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL]OXY}PROPYL (9Z,12Z)-OCTADECA-9,12-DIENOATEME7717960.411.96NANA
2-METHYLBUTYRIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHYL ESTERME7718360.411.96NANA
3-HYDROXY-5-KETO-3-METHYL-5-[4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBENZYL]OXY-VALERIC ACIDME7710530.401.79NANA
3-HYDROXYMETHYLGLUTARIC ACIDME7713320.441.79NANA
4-AMINOTETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACIDME7715040.491.88NANA
N-ACETYL-D-TRYPTOPHANME7709760.491.88NANA
8-[(1R,2S)-2-(2-CARBOXYETHYL)-5-KETO-CYCLOPENT-3-EN-1-YL]-6-KETO-CAPRYLIC ACIDME7712640.501.87NANA
2-(ISOBUTYLAMINO)-2-KETO-ACETIC ACIDME7716910.501.87NANA
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-2-HYDROXYPROPYL PHOSPHONO]OXY}ETHYL)TRIMETHYLAZANIUMME7717060.501.87NANA
(2E,4E)-5-(3,8-DIHYDROXY-7-KETO-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCTAN-8-YL)-3-METHYL-PENTA-2,4-DIENOIC ACIDME7716860.501.87NANA
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-DIHYDROXY-2,15-DIMETHYL-5-OXOTETRACYCLO[8.7.0.0^{2,7}.0^{11,15}]HEPTADECAN-14-YL]PENTANOIC ACIDME7713420.501.88NANA
BETA-D-GLUCOPYRANOSYL ALPHA-D-GLUCOPYRANOSIDEME7709850.501.88NANA
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]ANILINO]-4-KETO-BUTYRIC ACIDME7714750.501.85NANA
PANTETHEINEME7718540.521.86NANA
2H-BENZOTRIAZOL-4-OLME7712420.511.87NANA
L-PROLYL-L-ASPARTIC ACIDME7716340.511.86NANA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID 2-BORNYL ESTERME7713670.491.89NANA
LEUCINIC ACIDME7710010.481.89NANA
GLUCONIC ACIDME7714070.481.89NANA
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]PROP-2-ENAMIDEME7713310.481.89NANA
ESTRONE 3-GLUCURONIDEME7716250.481.89NANA
4-(6-KETO-2-METHYL-PYRAN-3-YL)BUTYRIC ACIDME7713820.441.90NANA
HEXCER 18:0;3O/16:0;(2OH)ME7715400.461.90NANA
3,5,7-TRIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-CHROMEN-4-ONEME7712330.471.90NANA
DAMPME7709960.471.90NANA
MEVALONIC ACIDME7716880.451.91NANA
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUMME7712320.461.91NANA
1,3,4,5-TETRAHYDROTHIOPYRAN[4,3-B]INDOLE-8-CARBOXYLIC ACIDME7716930.461.91NANA
3-DEOXY-D-GLYCERO-D-GALACTO-2-NONULOSONIC ACIDME7716060.461.91NANA
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANALME7711380.521.79NANA
TAURINEME7710430.571.80NANA
CREATINEME7709680.571.80NANA
[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)(METHYL)AMINO]METHANESULFONIC ACIDME7712970.571.80NANA
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOLME7715660.571.80NANA
3-GUANIDINOPROPANOIC ACIDME7712620.561.81NANA
N-ACETYLHISTAMINEME7718340.571.81NANA
2-[2-[2-HYDROXY-5-[(E)-3-HYDROXYPROP-1-ENYL]-3-METHOXY-PHENYL]-3-(4-HYDROXY-3-METHOXY-PHENYL)PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOLME7714300.531.85NANA
2-AMINOHEPTANEDIOIC ACIDME7716740.521.84NANA
6-[[4,4,6A,6B,11,11,14B-HEPTAMETHYL-8A-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYCARBONYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-4-[4,5-DIHYDROXY-6-METHYL-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-3,5-DIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACIDME7714550.521.84NANA
(1-HYDROXYCYCLOPENTYL)(PHENYL)ACETIC ACIDME7713070.551.81NANA
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3H-BENZIMIDAZOL-5-OLME7713770.551.82NANA
PHENYLBUTYRYLGLUTAMINEME7715230.551.82NANA
4-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-2,3-DIHYDROXY-2-METHYL-BUTYRIC ACIDME7717730.551.83NANA
PARACETAMOL SULFATEME7716600.541.83NANA
CHLOROTHIAZIDEME7716670.541.83NANA
2-[3-METHOXY-4-(SULFOOXY)PHENYL]ACETIC ACIDME7716510.541.83NANA
2-[(10Z)-HEPTADEC-10-EN-1-YL]-6-HYDROXYBENZOIC ACIDME7713040.541.83NANA
(2-{[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(HEXADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7713850.541.83NANA
4-(3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)VALERIC ACIDME7710760.541.84NANA
PHENYLALANINEME7709660.541.84NANA
IMIDAZOLEACETIC ACIDME7710110.841.47NANA
1-[4-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXYOXAN-2-YL]OXY-2,6-DIHYDROXYPHENYL]-3-(4-HYDROXYPHENYL)PROPAN-1-ONEME7711200.841.54NANA
L-LEUCYL-L-SERINEME7715190.841.53NANA
L-VALYL-L-LEUCINEME7718320.861.51NANA
2-(4-HYDROXYPHENYL)-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-ACETONITRILEME7713360.861.52NANA
N6-METHYLADENOSINEME7714850.851.52NANA
CATECHINME7713630.851.52NANA
FAHFA 3:0/23:0ME7714530.851.52NANA
(1R,2S)-2-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANECARBOXYLIC ACIDME7716420.801.54NANA
(3R,4S,5R)-3,4,5,6-TETRAKIS(OXIDANYL)-2-OXIDANYLIDENE-HEXANOIC ACIDME7714720.821.55NANA
THEOPHYLLINEME7710480.821.55NANA
FAHFA 22:6/18:1ME7713400.811.56NANA
N-ACETYLHISTIDINEME7716830.821.56NANA
(2R)-2-ACETAMIDOHEXANOIC ACIDME7716680.681.59NANA
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACIDME7716360.711.57NANA
SUCROSEME7709690.711.58NANA
TOPIRAMATEME7716870.791.58NANA
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-PHENYL-BUTAN-2-YL]AMINO]HEXANOYL]PYRROLIDINE-2-CARBOXYLIC ACIDME7717690.791.59NANA
2-[[6-(4-ALLYLPHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOLME7713480.781.59NANA
CARGLUMIC ACIDME7712740.781.59NANA
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACIDME7715030.761.61NANA
(2R,3R,4S,5S,6R)-2-[(2E)-6-HYDROXY-2,6-DIMETHYL-OCTA-2,7-DIENOXY]-6-[[(2S,3R,4S,5S)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOLME7713020.761.61NANA
(2S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-METHYL-VALERIC ACIDME7710980.781.60NANA
ISOBUTYRYLGLYCINEME7711260.771.60NANA
3-SULFOPROPANOIC ACIDME7713530.771.60NANA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CARBAMOYL}BUTANOIC ACIDME7714350.771.60NANA
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACIDME7711370.731.65NANA
GAMMA-GLUTAMYLGLUTAMIC ACIDME7717410.721.65NANA
PYRIDOXINEME7712980.721.65NANA
3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACIDME7710850.721.63NANA
(3S,6S)-3-(4-HYDROXYBENZYL)-6-METHYLOL-PIPERAZINE-2,5-QUINONEME7711050.741.64NANA
DIMETHYLARGININEME7718420.741.63NANA
4-HYDROXYHIPPURIC ACIDME7718530.741.63NANA
(2S,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANALME7710660.741.63NANA
4-[5-(6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-PENTOXY]-4-KETO-BUTYRIC ACIDME7713610.741.63NANA
2-HYDROXY-2-METHYL-BUTYRIC ACIDME7713030.491.67NANA
METHYLGLUTARIC ACIDME7710410.511.69NANA
N-PHENYLACETYLPHENYLALANINEME7712800.671.70NANA
3-(1H-INDOL-3-YL)-2-[(5-OXOPYRROLIDINE-2-CARBONYL)AMINO]PROPANOIC ACIDME7717540.671.71NANA
7-[4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(4-HYDROXYPHENYL)CHROMAN-4-ONEME7709710.661.71NANA
(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYHEXANALME7716410.691.69NANA
CIS-4-HYDROXYPROLINEME7710090.681.69NANA
2-(4-BROMOPHENOXY)ACETIC ACIDME7714500.681.69NANA
3-(CARBOXYMETHYL)BENZOIC ACIDME7717550.681.69NANA
2-(4-BROMO-2-METHYL-PHENOXY)ACETIC ACIDME7714150.711.67NANA
N-ACETYL-L-ALPHA-ASPARTYL-L-GLUTAMIC ACIDME7717380.691.68NANA
(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONEME7716110.701.68NANA
BETA-D-GALACTOPYRANOSYL-(1->4)-D-MANNOPYRANOSEME7711830.701.68NANA
(2R,3S,4R,5R)-3,4,5,6-TETRAHYDROXY-2-[[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-2-OXANYL]OXY]HEXANALME7710890.651.73NANA
FAHFA 3:0/24:1ME7711360.641.74NANA
AMPAME7718010.631.73NANA
SORBITOLME7709770.631.74NANA
N-ACETYLLEUCINEME7710390.631.74NANA
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-DECA-6,8-DIENOIC ACIDME7716760.631.74NANA
1-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACIDME7713410.631.74NANA
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7717680.631.74NANA
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)-N-PHENYL-ACRYLAMIDEME7712000.631.75NANA
(4S)-4-AMINO-5-HYDROXY-VALERIC ACIDME7712450.621.76NANA
5-GLUTAMYL-ALANINEME7718270.621.75NANA
SULFURIC ACID [(3S,8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTERME7712100.621.75NANA
CATECHIN 7-O-APIOFURANOSIDEME7713580.581.79NANA
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINEME7717010.591.79NANA
FAHFA 3:0/22:0ME7714810.591.79NANA
ITACONIC ACIDME7712960.591.78NANA
(2-{[(2R)-2-HYDROXY-3-[(8Z,11Z,14Z,17Z)-ICOSA-8,11,14,17-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7716370.591.78NANA
ALPHA-N-PHENYLACETYLGLUTAMINEME7709910.591.78NANA
6-METHOXY-2-METHYL-2-OXIDO-SPIRO[3,4-DIHYDROISOQUINOLIN-2-IUM-1,7^-6,8-DIHYDROCYCLOPENTA[G][1,3]BENZODIOXOLE]-7,8^-DIOLME7711800.601.77NANA
UREIDOPROPIONIC ACIDME7709920.601.77NANA
4-[CYCLOPROPYL(HYDROXY)METHYLENE]-3,5-DIKETO-CYCLOHEXANECARBOXYLIC ACIDME7711300.611.76NANA
2-[CARBOXYMETHYL(2-HYDROXYETHYL)AMINO]ACETIC ACIDME7716780.611.76NANA
3-PHENYL-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]PHENYL]PROPAN-1-ONEME7713490.611.76NANA
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC ACIDME7716160.611.77NANA
CURCUMINME7714780.611.77NANA
DINOTERBME7716620.360.37NANA
9-KETO-9-METHOXY-PELARGONIC ACIDME7714910.761.33NANA
1-FORMYLPROLINEME7716130.891.34NANA
PINORESINOLME7711950.921.44NANA
THREONIC ACIDME7716730.931.45NANA
2-(2,5-DIKETOTETRAHYDROFURAN-3-YL)ACETIC ACIDME7717100.931.45NANA
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM 4-OXIDEME7715900.931.45NANA
1-METHYLURIC ACIDME7717520.921.46NANA
ACAMPROSATEME7715800.921.46NANA
N-ACETYL-D-PHENYLALANINEME7709630.921.45NANA
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-3-METHYL-BUTYRIC ACIDME7715840.921.45NANA
2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]AMINO]PROPIONIC ACIDME7715570.921.45NANA
2-HYDROXYISOBUTYRIC ACIDME7715970.891.46NANA
(2E)-3-[4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL]PROP-2-ENOIC ACIDME7712820.911.46NANA
(2R,3R,4R)-2,3,5-TRIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-VALERALDEHYDEME7714400.911.46NANA
2-[5-[3,4-DIHYDROXY-6-METHYL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-2-(8-HYDROXY-5^,7,9,13-TETRAMETHYL-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL)OXY-6-METHYL-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOLME7713680.911.47NANA
1-(2-HYDROXYPHENYL)-2-PYRROLIDONEME7713500.901.47NANA
2-[(C-HYDROXYCARBONIMIDOYL)(METHYL)AMINO]ACETIC ACIDME7717850.901.47NANA
DOPAME7718280.961.40NANA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7712410.971.40NANA
PROPYL 3,4,5-TRIHYDROXYBENZOATEME7710520.971.40NANA
(E)-2,7-DIMETHYL-8-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-4-DECENEDIOIC ACIDME7717580.971.41NANA
1-METHYLXANTHINEME7713150.961.42NANA
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACIDME7716650.961.41NANA
(3R,4R)-3-AMINO-2-KETO-4-METHYL-AZETIDINE-1-SULFONIC ACIDME7712290.961.41NANA
3-METHYL-6-(METHYLAMINO)-5-NITROSO-URACILME7710710.941.44NANA
N-ACETYLTYROSINEME7709620.941.44NANA
2-FORMAMIDO-4-(METHYLTHIO)BUTYRIC ACIDME7710140.951.43NANA
METHYLSUCCINIC ACIDME7710400.951.42NANA
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONEME7713620.981.34NANA
3,4-DIHYDROXY-BENZOIC ACID METHYL ESTERME7711170.981.38NANA
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3,5-DIMETHYL-4-PYRIDONEME7717090.991.39NANA
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATEME7717330.991.38NANA
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B][1,4]BENZOTHIAZEPIN-2-OLME7714760.991.38NANA
4-HYDROXY-3-METHOXY-2-NITRO-BENZALDEHYDEME7717460.981.13NANA
N-FORMYLGLYCINEME7717951.031.05NANA
2-(2-KETOMORPHOLINO)ACETIC ACIDME7717641.181.19NANA
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYL]AMINO]PROPIONIC ACIDME7711291.191.19NANA
CYSTEINE-S-SULFATEME7717261.191.19NANA
MONOMETHYL GLUTARIC ACIDME7716561.181.18NANA
SULFURIC ACID LAURYL ESTERME7713111.191.18NANA
4,8-DIHYDROXY-3,7,8-TRIMETHYL-5,7-DIHYDROPYRANO[4,3-B]PYRAN-2-ONEME7712881.191.18NANA
PYRENE-1-CARBOXYLIC ACIDME7716501.191.18NANA
2-(3,4-DIMETHOXYPHENOXY)-6-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-3,4,5-TRIOLME7715951.231.14NANA
XANTHURENIC ACIDME7709781.221.14NANA
6-AMINOPYRIDINE-3-CARBOXYLIC ACIDME7718511.201.17NANA
HYDROCHLOROTHIAZIDEME7709941.201.17NANA
4-HYDROXYPHENYLPYRUVIC ACIDME7712601.201.15NANA
1-(2-PYRIDYL)PYRAZOLE-4-CARBOXYLIC ACIDME7712661.211.16NANA
(2-HEXADECANOYLOXY-3-TETRADECANOYLOXY-PROPYL) 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATEME7714061.211.16NANA
2-(3-KETO-4H-1,4-BENZOXAZIN-2-YL)ACETIC ACIDME7711751.221.16NANA
4-(4-PROPAN-2-YL-1-PIPERAZINYL)PHENOLME7710821.221.16NANA
2-(3-METHYLBENZYL)SUCCINIC ACIDME7713451.101.20NANA
4-HYDROXY-3-[(4-HYDROXY-2-KETO-6-METHYL-PYRAN-3-YL)METHYL]-6-METHYL-PYRAN-2-ONEME7711501.161.19NANA
2-AMINOBENZENE-1,4-DISULFONIC ACIDME7716991.161.22NANA
6-METHOXY-7H-PURIN-2-AMINEME7710971.161.21NANA
2-METHYLBUTYRIC ACID [(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL] ESTERME7711631.161.21NANA
5^-DEOXYADENOSINEME7715211.161.21NANA
(Z)-7-[(2R,3R)-3-[(E,3R)-4-(4-IODANYLPHENOXY)-3-OXIDANYL-BUT-1-ENYL]-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]HEPT-5-ENOIC ACIDME7714661.131.21NANA
NOTOGINSENOSIDE R2ME7711621.131.24NANA
FAHFA 22:6/18:0ME7715281.151.22NANA
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOLME7717801.151.23NANA
ACETIC ACID [(2R,3S,4S,5R,6S)-6-[3,5-DIHYDROXY-2-[3-(4-HYDROXYPHENYL)PROPANOYL]PHENOXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHYL ESTERME7715061.151.23NANA
(7R)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(HEXADECANOYLOXY)-3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM 4-OXIDEME7712591.141.22NANA
2-HYDROXYBUTANEDIOIC ACIDME7710791.141.24NANA
L-PHENYLALANYL-L-GLUTAMIC ACIDME7716771.141.23NANA
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACILME7714021.141.23NANA
5-FORMYL-2-HYDROXY-BESYLIC ACIDME7717971.141.23NANA
3,5-DIFLUORO-4-FORMYL-BENZOIC ACIDME7716281.011.30NANA
6-{[4-FORMYL-2-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-8A-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CARBONYL)-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-YL]OXY}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACIDME7713951.041.33NANA
2-ACRYLAMIDOSUCCINIC ACIDME7714591.041.33NANA
(1S,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACIDME7711211.041.33NANA
2-ACETAMIDOPROPIONIC ACIDME7709981.041.33NANA
GLUTARIC ACIDME7709901.051.32NANA
TRANS-ZEATINME7718061.051.32NANA
TRIMETHYL(2-{[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUMME7715581.011.36NANA
N-[(E,1S,2R)-2-HYDROXY-1-[[(2R,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXYMETHYL]HEPTADEC-3-ENYL]HEXADECANAMIDEME7718091.011.36NANA
2-[(3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-6-(5-HYDROXY-1,7,7-TRIMETHYL-NORBORNAN-2-YL)OXY-TETRAHYDROPYRAN-3,4,5-TRIOLME7715961.011.36NANA
2,4-DIHYDROXY-3,5,6-TRIMETHYLBENZOIC ACIDME7713371.011.36NANA
4-KETO-2-METHYL-1H-QUINOLINE-6-CARBOXYLIC ACID ETHYL ESTERME7715561.031.34NANA
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACIDME7716711.031.34NANA
4-[(2-HYDROXY-1-NAPHTHYL)AZO]BESYLIC ACIDME7714011.031.35NANA
4-PYRIDOXIC ACIDME7712091.021.35NANA
2-HYDOXYBUTYRIC ACIDME7710561.021.35NANA
2-HYDROXYVALERIC ACIDME7712471.021.35NANA
2,2,3,3-TETRAFLUOROSUCCINIC ACIDME7718481.061.24NANA
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATEME7713131.081.30NANA
TAUROSTEINEME7712391.081.30NANA
CORTISOL 21-SULFATEME7712431.061.31NANA
FAHFA 4:0/24:1ME7712811.071.31NANA
SALICYLIC ACIDME7715411.101.28NANA
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACIDME7712511.101.28NANA
3-HYDROXYBENZOIC ACID ISOPROPYL ESTERME7714691.101.28NANA
1,1-DIKETO-1,2-THIAZOLIDINE-3-CARBOXYLIC ACIDME7711071.091.29NANA
(2S,3S,4AS)-2,3,7-TRIHYDROXY-9-METHOXY-4A-METHYL-3,4-DIHYDRO-2H-BENZO[C]CHROMEN-6-ONEME7713091.091.29NANA
LUMICHROMEME7710491.091.28NANA
(1R,2R)-3-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANE-1,2-DICARBOXYLIC ACIDME7717121.091.28NANA
GLU VAL PHEME7711711.091.28NANA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7715131.101.26NANA
2-[3-[4-[2-HYDROXY-2-(4-HYDROXY-3-METHOXY-PHENYL)-1-METHYLOL-ETHOXY]-3-METHOXY-PHENYL]PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOLME7713251.101.27NANA
(2R,3R,4S,5S)-2,3,4,5-TETRAHYDROXYHEXANALME7717481.101.27NANA
3-SULFOBENZOIC ACIDME7713891.111.27NANA
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7717871.121.26NANA
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-CHROMEN-4-ONEME7714201.111.26NANA
5-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXO-4H-CHROMEN-7-YL 2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDEME7717021.111.26NANA
GAMMA-TOCOPHEROLME7713941.341.03NANA
DIHYDROOROTIC ACIDME7710261.341.03NANA
ANACARDIC ACIDME7712551.341.03NANA
20-HDOHEME7715501.341.03NANA
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATEME7714211.341.03NANA
ERYTHRITOLME7717991.341.02NANA
2-(2-KETO-4-METHYL-1-QUINOLYL)ACETIC ACIDME7718101.341.02NANA
AMINOSALICYLIC ACIDME7710381.341.02NANA
SULFURIC ACID [(3S,5S,8R,9S,10S,13S,14S,17S)-17-ACETYL-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTERME7713061.351.03NANA
MGDG 16:0_18:3ME7717191.361.02NANA
THR VAL LEUME7710811.351.02NANA
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLEME7710861.351.02NANA
3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTERME7714571.351.02NANA
(3S,4R,5R)-5-[(1S)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYOXOLAN-2-ONEME7717901.321.03NANA
8-HYDROXY-5-QUINOLINECARBOXYLIC ACIDME7716691.331.04NANA
5-ACETYLAMINO-6-AMINO-3-METHYLURACILME7713691.331.04NANA
(4Z,7Z,10Z,13Z,16Z)-N-(2-HYDROXYETHYL)DOCOSA-4,7,10,13,16-PENTAENAMIDEME7712341.331.04NANA
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTERME7717911.331.04NANA
2-(2-ALLYLPHENOXY)ACETIC ACIDME7714031.331.04NANA
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACIDME7715111.331.04NANA
PSICOSEME7709591.341.04NANA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACIDME7711551.341.04NANA
METHIONINEME7709791.341.04NANA
2-KETO-5-METHYL-OXAZOLIDINE-4-CARBOXYLIC ACIDME7716941.331.05NANA
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6AR,6BS,8R,8AR,12AS,14BR)-4-CARBOXY-8A-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-[[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-2-OXANYL]OXY]-5-HYDROXY-6-METHYL-4-[(E)-1-OXO-3-PHENYLPROP-2-ENOXY]-2-OXANYL]OXY-OXOMETHYL]-2,8-DIHYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-3,5-DIHYDROXY-4-[[(2S,3R,4S,5R)-3,4,5-TRIHYDROXY-2-OXANYL]OXY]-2-OXANECARBOXYLIC ACIDME7711811.321.05NANA
2-(6-HYDROXYHEXYL)-3-METHYLENE-SUCCINIC ACIDME7711341.341.00NANA
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACIDME7716011.351.00NANA
2,3-DIHYDROXY-2-METHYLBUTANOIC ACIDME7715851.351.01NANA
TRICHODIMEROLME7714701.361.01NANA
GAMMA-GLUTAMYLTYROSINEME7714901.361.01NANA
(2S,3R)-3-HYDROXYPYRROLIDINIUM-2-CARBOXYLATEME7715931.361.01NANA
FEXOFENADINEME7714231.361.01NANA
N-ACETYLGLUTAMIC ACIDME7717661.371.01NANA
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-HYDROXYPROPOXY]PHOSPHINIC ACIDME7711441.371.00NANA
N-ACETYLASPARTIC ACIDME7710081.371.00NANA
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VALERIC ACIDME7713181.340.98NANA
4-[6-(4-HYDROXYPHENYL)-1,2,4,5-TETRAZIN-3-YL]PHENOLME7716081.350.97NANA
4-KETODODECANEDIOIC ACIDME7711971.360.99NANA
(2Z)-4-KETO-3-METHOXY-5-METHYL-HEXA-2,5-DIENOIC ACIDME7718131.370.98NANA
FAHFA 16:0/3:0ME7713811.370.98NANA
GLUCONOLACTONEME7717471.231.06NANA
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATEME7711591.201.08NANA
MONOISOBUTYL PHTHALIC ACIDME7714271.201.08NANA
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACIDME7718561.251.13NANA
3-AMINO-2-(4-CHLOROPHENYL)-2-HYDROXY-1-PROPANESULFONIC ACIDME7714971.251.12NANA
ETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATEME7715641.271.11NANA
2-({[3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OXY}METHYL)-6-{[(2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}OXANE-3,4,5-TRIOLME7714051.261.12NANA
ISOROSMANOLME7714651.261.12NANA
5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONEME7711681.261.11NANA
(E)-4-HYDROXYNON-2-ENOIC ACIDME7714141.261.11NANA
2-OXO-4-METHYLTHIOBUTANOIC ACIDME7717881.241.10NANA
7-METHYL-1-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-1,4A,5,6,7,7A-HEXAHYDROCYCLOPENTA[C]PYRAN-4-CARBOXYLIC ACIDME7716151.261.08NANA
1-HEXADECANOYL-2-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINEME7710601.261.10NANA
4-FORMYL-2-HYDROXYBENZOIC ACIDME7712461.261.09NANA
3,4-DIHYDROXYPHENYLGLYCOLME7717171.301.07NANA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-3-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDEME7711961.301.07NANA
2-DEOXY-RIBOSEME7715891.291.06NANA
DIETHYLPHOSPHATEME7717931.301.06NANA
2-[(CARBOXYMETHYL)AMINO]ACETIC ACIDME7717211.301.05NANA
3-METHYL-2-OXOPENTANOIC ACIDME7712521.311.05NANA
KETOLEUCINEME7710801.311.05NANA
L-ASPARAGINYL-L-PROLINEME7711741.321.06NANA
1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTAN-3-ONEME7713301.311.07NANA
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL]METHYL}THIOPHENE-2-CARBOXAMIDEME7716851.311.07NANA
6-METHYL-2-[(4-METHYLPHENYL)AMINO]-3,1-BENZOXAZIN-4-ONEME7711781.311.06NANA
[(2R,3S)-5-(2-AMINO-6-KETO-1H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATEME7712951.311.06NANA
2-METHYL-6-{[3,4,5-TRIHYDROXY-6-(2-PHENYLETHOXY)OXAN-2-YL]METHOXY}OXANE-3,4,5-TRIOLME7713461.311.06NANA
[(2~{R})-3-CETYLOXY-2-ETHOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATEME7717051.311.06NANA
(2R)-2-ACETOXY-2-PHENYL-ACETIC ACIDME7713391.271.06NANA
2-HYDROXY-6-[(8Z,11Z)-PENTADECA-8,11,14-TRIENYL]BENZOIC ACIDME7713971.301.08NANA
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]-3-PHENYL-PROPIONIC ACIDME7712281.291.08NANA
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDROXYPHENYL)HEPTAN-3-ONEME7714941.291.08NANA
PRO-GLUME7717531.281.10NANA
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATEME7714371.281.09NANA
(2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-CHROMENE-3,5,7-TRIOLME7715271.281.08NANA
(E)-3-[(2R,3S)-7-METHOXY-2-[3-METHOXY-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PHENYL]-3-METHYLOL-COUMARAN-5-YL]ACRYLIC ACIDME7717601.520.84NANA
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ACIDME7716551.530.84NANA
2-METHOXYBENZENE-1,4-DIOLME7712721.530.84NANA
L-TYROSYL-L-PROLINEME7718121.530.85NANA
5,7-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-4H-CHROMEN-4-ONEME7711641.530.85NANA
L-LEUCYL-L-PROLINEME7718161.530.85NANA
3-SUCCINIMIDOPROPIONIC ACIDME7716141.500.86NANA
L-ISOLEUCYL-L-THREONINEME7711421.500.87NANA
L-LEUCYL-L-THREONINEME7712921.500.87NANA
CYSTEIC ACIDME7710461.520.86NANA
2-HYDROXY-3-METHYLBUTANOIC ACIDME7710041.510.85NANA
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]BUTANEDIOIC ACIDME7716291.510.86NANA
(2S,3R,4S,5R)-OXANE-2,3,4,5-TETROLME7714421.520.78NANA
N,N^-DIHYDROXYOCTANEDIAMIDEME7716581.540.77NANA
(3S,4S,6AR,6BS,8R,8AR,12AS,14BR)-8-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICENE-4,8A-DICARBOXYLIC ACIDME7711001.510.81NANA
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACIDME7714291.520.82NANA
3,3-DIMETHYLPENTANEDIOIC ACIDME7709731.530.81NANA
QUINOLINE-2,8-DIOLME7715761.530.82NANA
6-HYDROXY-8-[(1R)-1-HYDROXY-2-{[1-(4-METHOXYPHENYL)-2-METHYLPROPAN-2-YL]AMINO}ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONEME7711111.570.81NANA
N-ACETYLORNITHINEME7712491.570.81NANA
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7717921.560.81NANA
ARABINOSEME7713741.560.81NANA
3-[4-METHOXY-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PHENYL]PROPIONIC ACIDME7717031.560.82NANA
COPROCHOLIC ACIDME7711101.560.82NANA
(E,2S,3R)-5-(3-HYDROXY-2-METHYLOL-PHENYL)PENT-4-ENE-2,3-DIOLME7713051.540.83NANA
GLYCYL-L-TRYPTOPHANME7715831.550.83NANA
1-(2-FURFURYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACIDME7713261.550.83NANA
1-[4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL]ETHANONEME7712611.550.83NANA
OXOGLUTARIC ACIDME7709971.550.82NANA
GINKGOLIC ACIDME7715521.550.82NANA
5-[(2R,3S,4S)-4,6-DIHYDROXY-2-[(E,3S)-3-HYDROXYOCT-1-ENYL]TETRAHYDROPYRAN-3-YL]VALERIC ACIDME7712791.550.82NANA
(5S)-5-METHYLIMIDAZOLIDINE-2,4-DIONEME7718111.550.82NANA
(3E,5E)-2-(4-KETO-4-METHOXY-BUTYL)NONA-3,5-DIENOIC ACIDME7713921.570.75NANA
3-(3,4-DIMETHOXYPHENYL)-1-(2-HYDROXY-4,6-DIMETHOXY-PHENYL)PROPAN-1-ONEME7713121.590.78NANA
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7718411.590.79NANA
OROTIC ACIDME7710131.590.79NANA
5-KETO-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-3-CARBOXYLIC ACIDME7716981.550.79NANA
2-METHYL-4-NITRO-BENZOIC ACIDME7718401.570.79NANA
L-ARABITOLME7709861.570.80NANA
2,2-DIMETHYLGLUTARIC ACIDME7710941.410.81NANA
4-(1-BUTYLHEPTYL)BESYLIC ACIDME7711541.490.81NANA
4-(2-HYDROXYETHYL)BENZENE-1,2-DIOLME7716751.480.82NANA
3-SUCCINOYLPYRIDINEME7716701.490.78NANA
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACIDME7712261.460.78NANA
3-HYDROXY-4-METHOXY-BENZALDEHYDEME7712531.350.89NANA
GALACTURONIC ACIDME7716521.340.93NANA
PIMELIC ACIDME7710351.470.86NANA
L-PHENYLALANYL-L-TYROSINEME7711671.490.88NANA
5-[[(2R,3S,4S,5R,6R)-6-ETHOXY-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]METHOXY]-3-METHYL-3-OXIDANYL-5-OXIDANYLIDENE-PENTANOIC ACIDME7718391.470.89NANA
L-ASPARAGINYL-L-TRYPTOPHANME7717671.480.89NANA
2-(6-HYDROXY-2-KETO-3,8-DIMETHYL-4,5,6,7,8,8A-HEXAHYDRO-1H-AZULEN-5-YL)ACRYLIC ACIDME7715371.480.89NANA
2-AMINO-4-(3-CARBOXYPROPANOYLOXY)BUTYRIC ACIDME7716351.480.89NANA
CYCLOHEXANE-1,3-DICARBOXYLIC ACIDME7715181.440.88NANA
5S-HETEME7712581.450.92NANA
8-[(4AR,5R,7AS)-2,6-DIOXO-3,4,4A,5,7,7A-HEXAHYDROCYCLOPENTA[B]PYRAN-5-YL]-6-OXOOCTANOIC ACIDME7712671.450.91NANA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACIDME7714161.400.98NANA
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]-5Z,8Z,11Z,14Z-EICOSATETRAENAMIDEME7713871.400.97NANA
12-HYDROXYJASMONIC ACIDME7714261.400.97NANA
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7716611.400.97NANA
2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOIC ACIDME7710451.390.99NANA
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OCTADEC-8-EN-2-YL]-2-HYDROXYHEXADECANAMIDEME7715911.390.98NANA
SINAPIC ACIDME7717431.390.98NANA
4-OXODECANEDIOIC ACIDME7718381.430.94NANA
3-HYDROXYNAPHTHALENE-1-SULFONIC ACIDME7714281.430.94NANA
3-KETO-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACIDME7712651.430.94NANA
3-(3-HYDROXY-4-METHOXYPHENYL)PROPANOIC ACIDME7715711.440.94NANA
L-TRYPTOPHYL-L-PROLINEME7716191.440.94NANA
3-(4-HYDROXYPHENYL)-3-KETO-PROPIONIC ACIDME7712041.440.93NANA
4-HYDROXY-8-METHOXYQUINOLINE-2-CARBOXYLIC ACIDME7715981.440.93NANA
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-3-METHOXY-PHENYL]ACRYLIC ACIDME7718231.410.94NANA
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATEME7712351.410.96NANA
2,3-DIMETHOXY-5-SULFAMOYL-BENZOIC ACIDME7718431.430.95NANA
5,6-EPETREME7714711.420.95NANA
1-NONADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEME7718301.420.95NANA
5,13,17-TRIHYDROXY-9,15-DIKETO-7-METHYL-12-METHYLOL-2,10,16-TRIOXATETRACYCLO[9.7.0.03,8.014,18]OCTADECA-1(11),3(8),4,6,12,14(18)-HEXAENE-4-CARBALDEHYDEME7717591.420.95NANA
(E)-2-METHYLBUT-2-ENOIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(E)-2-METHYLBUT-2-ENOYL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]METHYL ESTERME7712021.290.50NANA
PHOSPHORIC ACIDME7717201.370.61NANA
N-ACETYLVALINEME7712201.040.63NANA
2-[2-(4-SULFAMOYLPHENOXY)ETHYLTHIO]ACETIC ACIDME7713331.230.74NANA
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GALACTOSEME7710371.860.52NANA
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THR TRPME7716801.790.58NANA
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(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-ACRYLIC ACIDME7716591.800.58NANA
1-HEXADECANOYL-2-(9Z,12Z-OCTADECADIENOYL)-3-O-BETA-D-GALACTOSYL-SN-GLYCEROLME7717181.800.58NANA
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(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMAN-2-YL]-2,6,10-TRIMETHYL-TRIDECA-2,6,10-TRIENOIC ACIDME7713911.800.57NANA
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2-SULFANYLETHANE-1-SULFONIC ACIDME7715631.810.57NANA
(Z)-5-(HEPTADEC-8-EN-1-YL)BENZENE-1,3-DIOLME7711411.810.56NANA
2-AMINO-3-METHOXYBENZOIC ACIDME7714481.780.57NANA
(3E)-HEX-3-ENEDIOIC ACIDME7710471.770.57NANA
(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-AMINO-3,5-DIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-1,3,26-TRIHYDROXY-12-METHYL-10-OXO-6,11,28-TRIOXATRICYCLO[22.3.1.05,7]OCTACOSA-8,14,16,18,20-PENTAENE-25-CARBOXYLIC ACIDME7713221.760.59NANA
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUMME7711311.770.60NANA
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACIDME7715511.770.60NANA
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ETHYLMALONIC ACIDME7710281.780.59NANA
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [2-HYDROXY-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-PROPYL] ESTERME7712061.780.59NANA
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3-(3-HYDROXYPHENYL)CARBONYLOXY-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTANE-2-CARBOXYLATEME7718311.780.59NANA
3-(5-FORMYL-2-HYDROXY-PHENOXY)-4-METHOXY-BENZOIC ACIDME7715681.780.59NANA
3,6-DIHYDROXY-4-METHOXY-2-METHYL-BENZOIC ACID [(6R,7R)-7-HYDROXY-8-KETO-7-METHYL-3-[(E)-PROP-1-ENYL]-5,6-DIHYDRO-1H-ISOCHROMEN-6-YL] ESTERME7715241.720.65NANA
FAHFA 16:0/18:2ME7712371.730.65NANA
11S,12R-EPETREME7711511.730.65NANA
1,7-DIMETHYLURIC ACIDME7713291.730.65NANA
3,4-DIHYDROXYBENZALDEHYDEME7709871.730.64NANA
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PICOLINIC ACIDME7717791.750.62NANA
BILIRUBINME7709601.750.62NANA
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATEME7717071.750.62NANA
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7717841.750.62NANA
3-AMINOSALICYLIC ACIDME7712271.750.62NANA
2-LACTAMIDO-3-METHYL-BUTYRIC ACID METHYL ESTERME7714981.750.63NANA
L-THREONYL-L-VALINEME7716031.750.63NANA
(2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)PROPANE-1,2-DIYL DIHEXADECANOATEME7716121.740.64NANA
N-[9-[4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-6-OXO-3H-PURIN-2-YL]-2-METHYL-PROPANAMIDEME7717781.740.64NANA
L-METHIONINE S-OXIDEME7713801.740.63NANA
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4-ACETAMIDOBENZOIC ACIDME7713781.730.59NANA
TRIACANTHINEME7710741.700.59NANA
L-THREONYL-L-THREONINEME7711431.670.71NANA
PHENETHYL(7H-PURIN-6-YL)AMINEME7716381.670.70NANA
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(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}BUTANOIC ACIDME7715471.670.70NANA
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYDROXY-2-SULFANYLTETRAHYDRO-2H,4H-2LAMBDA(5)-FURO[3,2-D][1,3,2]DIOXAPHOSPHININ-2-ONEME7717831.670.70NANA
3-(6-AMINO-9H-PURIN-9-YL)PROPANOIC ACIDME7717631.670.70NANA
2,3-DIKETOINDOLINE-5-CARBOXYLIC ACIDME7714361.650.72NANA
L-ISOLEUCYL-L-GLUTAMINEME7711091.650.72NANA
2,4-DIHYDROXYBENZOPHENONEME7715751.650.71NANA
L-SERYL-L-PROLINEME7718201.660.71NANA
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(2S)-2-[[2-(GLYCYLAMINO)ACETYL]AMINO]-3-METHYL-BUTYRIC ACIDME7717351.660.71NANA
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(8Z,11Z,14Z,17Z)-5,6-DIHYDROXYEICOSA-8,11,14,17-TETRAENOIC ACIDME7714841.690.68NANA
QUINOXALIN-6-OLME7717711.690.69NANA
L-THREONYL-L-LEUCINEME7710881.710.67NANA
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L-ASPARAGINYL-L-ISOLEUCINEME7717151.710.66NANA
GLUTAMIC ACIDME7710341.710.66NANA
(2-{[(2R)-2-HYDROXY-3-[(11Z)-ICOS-11-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7718491.710.66NANA
4-ETHYL-5-HYDROXY-3,5-DIMETHYL-FURAN-2-ONEME7715171.710.66NANA
(2,5-DIOXOIMIDAZOLIDIN-4-YL)UREAME7710101.700.68NANA
ALLANTOIC ACIDME7717321.700.68NANA
L-ALPHA-ASPARTYL-L-VALINEME7711121.700.67NANA
L-ALPHA-ASPARTYL-L-ISOLEUCINEME7710931.700.67NANA
(2R)-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]PENTANEDIOIC ACIDME7714621.700.67NANA
3-(2,4-DIMETHOXYANILINO)-3-KETO-PROPIONIC ACIDME7716001.700.67NANA
2-KETOGLUTARIC ACID DIETHYL ESTERME7713271.600.69NANA
SUCCINIC ACIDME7709951.630.72NANA
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4R)-4-OXIDANYL-6-OXIDANYLIDENE-OXAN-2-YL]ETHYL]-4-PHENYL-2-PROPAN-2-YL-PYRROLE-3-CARBOXAMIDEME7712571.630.74NANA
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOXAN-2-YL]ETHYL]-N-(2-HYDROXYPHENYL)-4-PHENYL-2-PROPAN-2-YLPYRROLE-3-CARBOXAMIDEME7713101.630.74NANA
1-ACETYLISONIPECOTIC ACIDME7715011.630.74NANA
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7716491.630.74NANA
3-PYROGLUTAMOYLTHIAZOLIDINE-4-CARBOXYLIC ACIDME7718021.610.75NANA
(1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACIDME7718151.610.76NANA
KETOISOVALERIC ACIDME7713841.610.76NANA
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONEME7715551.620.76NANA
L-SERYL-L-PHENYLALANINEME7717491.620.76NANA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}BUTANOIC ACIDME7718371.630.75NANA
MGDG O-18:2_16:0ME7717391.620.75NANA
5-HYDROXY-2-(5-KETOTETRAHYDROFURAN-2-YL)-2-METHYL-7-METHYLOL-CHROMAN-4-ONEME7714631.620.75NANA
(2R,3S)-2-HYDROXY-2-(4-HYDROXYBENZYL)-3-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-SUCCINIC ACIDME7715991.620.75NANA
(2S,3S,4R,5S,6S)-2-[[(2R,3R,4R,5R)-5,6-DIHYDROXY-4-[[(2S,3R,4S,5S,6R)-5-HYDROXY-6-(HYDROXYMETHYL)-4-[[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-OXANYL]OXY]-3-[[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-2-OXANYL]OXY]-2-OXANYL]OXY]-2-(HYDROXYMETHYL)-3-OXANYL]OXY]-6-METHYLOXANE-3,4,5-TRIOLME7713211.620.75NANA
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHANOIC ACIDME7718451.570.61NANA
4-HYDROXYBENZOIC ACID [(3R,4S,8S,8AS)-3-HYDROXY-3-ISOPROPYL-6,8A-DIMETHYL-8-[(Z)-2-METHYLBUT-2-ENOYL]OXY-1,2,3A,4,5,8-HEXAHYDROAZULEN-4-YL] ESTERME7713341.600.51NANA
2-(2-ETHYLBUTANOYLAMINO)-4,5-DIMETHOXY-BENZOIC ACIDME7711042.070.29NANA
(2S)-2-{[(2S)-2-AMINO-1-HYDROXYPROPYLIDENE]AMINO}-4-(C-HYDROXYCARBONIMIDOYL)BUTANOIC ACIDME7711982.070.30NANA
(2-{[(2R)-2-HYDROXY-3-(TETRACOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7717812.070.30NANA
(2R)-2-[[(2S)-2-AMINO-3-METHYL-BUTANOYL]AMINO]OXYSUCCINIC ACIDME7712702.070.30NANA
CAR(DC5:0(3ME))ME7716452.080.28NANA
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMME7718242.090.29NANA
TRAUMATIC ACIDME7710022.090.29NANA
(2R,3R,3AR,6S,6AR)-2,3,6-TRIHYDROXY-3,3A,6,6A-TETRAHYDRO-2H-FURO[3,2-B]FURAN-5-ONEME7713442.080.29NANA
L-ALANYL-L-THREONINEME7710952.080.29NANA
2-METHYL-GLUTARIC ACIDME7715872.040.30NANA
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATEME7715942.050.30NANA
PC O-16:1_18:1ME7715002.060.31NANA
1-(2,4-DIHYDROXYPHENYL)-2-(4-NITROPHENYL)ETHANONEME7713432.060.31NANA
2-BROMO-5-FLUORO-ISONICOTINIC ACIDME7714872.060.31NANA
SULFURIC ACID [(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-HYDROXY-3-KETO-10,13-DIMETHYL-2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]ETHYL] ESTERME7712152.060.32NANA
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACIDME7712222.060.32NANA
CER 17:0;2O/17:0;(3OH)ME7717502.060.32NANA
MGDG O-18:1_15:0ME7716102.020.36NANA
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PHTHALIC ACIDME7710422.010.32NANA
ZEARALANONEME7710592.010.32NANA
4-[3,5-DIHYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PYROCATECHOLME7715252.040.33NANA
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ACIDME7715382.040.33NANA
3-BROMO-2-CHLORO-6-FLUORO-BENZOIC ACIDME7710872.040.33NANA
4-(CHLOROMETHYL)SPIRO[1,3-DIOXOLANE-2,3^-INDOLINE]-2^-ONEME7711142.050.33NANA
L-THREONYLGLYCINEME7710782.050.33NANA
MELILOTOCARPAN BME7713792.030.34NANA
2-[4-METHYL-7,8-BIS(OXIDANYL)-2-OXIDANYLIDENE-CHROMEN-3-YL]ETHANOIC ACIDME7717512.030.34NANA
L-ALANYL-L-METHIONINEME7711662.030.34NANA
L-PHENYLALANYL-L-TRYPTOPHANME7716722.040.34NANA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACIDME7710692.040.34NANA
4-(4-AMINOPHENOXY)BENZOIC ACIDME7711492.040.34NANA
URSODEOXYCHOLIC ACIDME7710191.990.39NANA
XANTHINEME7712911.980.39NANA
N6-ACETYLLYSINEME7711451.980.39NANA
L-VALYL-L-SERINEME7714451.980.39NANA
L-TRYPTOPHYL-L-TRYPTOPHANME7717271.980.39NANA
GLYCYL-L-METHIONINEME7717451.980.39NANA
L-TRYPTOPHYL-L-GLUTAMIC ACIDME7713731.980.39NANA
GLY-VALME7710221.960.41NANA
CER 19:0;2O/17:0;(3OH)ME7717281.960.41NANA
1-(ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)-BETA-D-GLUCOPYRANURONIC ACIDME7715781.960.41NANA
2-HYDROXY-5-METHYL-BENZOIC ACIDME7711391.960.41NANA
N-ACETYLNEURAMINATEME7714411.970.40NANA
METHYLMALONIC ACIDME7718521.970.40NANA
6-PIPERAZINO-7H-PURINEME7716221.970.40NANA
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLIDENE)AMINO]-2-OXONONANOIC ACIDME7712561.970.40NANA
2-METHYL-3-HYDROXYBUTYRIC ACIDME7714771.970.40NANA
3-FORMYL-2-HYDROXYBENZOIC ACIDME7715441.970.40NANA
L-THREONYL-L-ALANINEME7718141.950.42NANA
INDOXYL SULFATEME7709611.950.42NANA
GUANOSINEME7710051.950.42NANA
8,9-DIHETREME7711271.950.42NANA
2-AMINO-3-HYDROXYPROPANOIC ACIDME7717161.950.42NANA
(2S)-2-AMINO-4-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}BUTANOIC ACIDME7714181.950.42NANA
DL-THREONINEME7709561.950.43NANA
L-ASPARAGINYL-L-VALINEME7716921.950.43NANA
XI-NOREPINEPHRINEME7714311.920.45NANA
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(3,4-DIHYDROXYPHENYL)ETHYL]PENTYL] ESTERME7714641.940.44NANA
CITRULLINEME7710181.940.43NANA
L-THREONYL-L-METHIONINEME7715861.930.44NANA
2-HYDROXY-2-(PHENYLFORMAMIDO)ACETIC ACIDME7716311.920.43NANA
BENZENESULFONIC ACIDME7714431.930.43NANA
3-METHYL-HEXANEDIOIC ACIDME7710231.960.35NANA
TEREPHTHALIC ACIDME7716891.920.37NANA
THR GLUME7710722.220.15NANA
1-OXIDOPYRIDIN-1-IUM-2-CARBOXYLIC ACIDME7716232.220.15NANA
L-ALANYL-L-GLUTAMIC ACIDME7714922.220.15NANA
4-(DIFLUOROMETHOXY)BENZOIC ACIDME7710922.230.14NANA
L-LEUCYL-L-TRYPTOPHANME7710912.230.14NANA
2-FUROYLGLYCINEME7716902.210.14NANA
ADIPIC ACIDME7710362.200.15NANA
L-METHIONYL-L-GLUTAMIC ACIDME7715792.190.18NANA
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROXY-3,3,5-TRIMETHYLCYCLOHEXYL]OXY-3-HYDROXY-3-METHYL-5-OXOPENTANOIC ACIDME7715022.190.18NANA
5-METHOXYURIDINEME7718572.190.18NANA
12-KETODEOXYCHOLIC ACIDME7711192.190.19NANA
LEU GLY LEUME7712132.180.19NANA
L-ISOLEUCYL-L-SERINEME7714522.180.19NANA
8-METHOXY-2,3-DIMETHYLOL-1-(3,4,5-TRIMETHOXYPHENYL)TETRALIN-6,7-DIOLME7711822.210.16NANA
1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-1,2-DIHYDRONAPHTHALENE-2,3-DICARBOXYLIC ACIDME7715052.210.16NANA
2-BENZYLBUTANEDIOIC ACIDME7709832.210.16NANA
L-ALANYL-L-SERINEME7712242.200.18NANA
4-[5-HYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PHENOLME7714672.200.17NANA
D-ASPARAGINEME7709702.200.17NANA
(1R,9S,10S)-3,4-DIHYDROXY-5-ISOPROPYL-11,11-DIMETHYL-16-OXATETRACYCLO[7.5.2.01,10.02,7]HEXADECA-2,4,6-TRIENE-8,15-QUINONEME7714472.100.27NANA
L-TRYPTOPHYL-L-LEUCINEME7713002.110.27NANA
3-(2-HYDROXY-4-METHOXY-6-METHYL-PHENOXY)-5-METHYL-PYROCATECHOLME7712382.100.26NANA
L-METHIONYL-L-THREONINEME7716812.110.26NANA
2-AMINOBUTANEDIOIC ACIDME7709652.110.26NANA
5-HYDROXY-7-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-2-(3,4,5-TRIMETHOXYPHENYL)CHROMONEME7717622.110.26NANA
OXYPURINOLME7712112.130.24NANA
THR TYRME7718222.130.25NANA
2,3-DIVANILLYLBUTANE-1,4-DIOLME7713712.120.25NANA
SILIBININME7710202.120.25NANA
FAMOTIDINEME7710442.140.23NANA
FORMYLANTHRANILIC ACIDME7712852.140.23NANA
HEXCER 18:0;2O/18:2;OME7716072.140.22NANA
DEOXYURIDINEME7710032.150.22NANA
2^-O-METHYLURIDINEME7717892.150.22NANA
(2R)-2-ACETAMIDO-3-[[(2R)-2-ACETAMIDO-2-CARBOXY-ETHYL]DISULFANYL]PROPIONIC ACIDME7715482.150.22NANA
MGDG 16:3_18:3ME7716572.180.20NANA
N-[(2R,3R,4S,5R)-3,5,6-TRIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDEME7716442.170.20NANA
5-(4-HYDROXYPENTYL)RESORCINOLME7713652.170.20NANA
L-ALPHA-ASPARTYL-L-LEUCINEME7715702.170.20NANA
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-YL]-3H-PURIN-6-ONEME7710542.160.22NANA
N-ARACHIDONOYL L-SERINEME7711652.170.21NANA
N-[(2S,3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ETHANIMIDIC ACIDME7713552.170.21NANA
1,7-BIS(4-HYDROXYPHENYL)HEPTANE-3,5-DIOLME7711922.170.21NANA
DEOXYCYTIDINEME7716042.170.21NANA
3-DEHYDROSHIKIMATEME7717822.160.21NANA
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TERT-BUTYL ESTERME7711352.160.21NANA
(2E)-3-{4-[(1H-IMIDAZOL-1-YL)METHYL]PHENYL}PROP-2-ENOIC ACIDME7717772.160.21NANA
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]PROPANOIC ACIDME7716202.160.21NANA
L-SERYL-L-ALANINEME7714442.250.13NANA
2-[(2-AMMONIOACETYL)AMINO]HEXANOATEME7715342.250.12NANA
N-[1-(1H-BENZIMIDAZOL-2-YL)ETHYL]BENZENESULFONAMIDEME7716052.260.12NANA
2-(6,7-DIHYDROXY-1-KETO-4-METHYL-PHTHALAN-5-YL)OXY-4-HYDROXY-3-(METHOXYMETHYL)-6-METHYL-BENZOIC ACID METHYL ESTERME7717442.280.09NANA
CIRSIMARITINME7715612.280.09NANA
L-LEUCYL-L-ASPARAGINEME7717142.290.09NANA
N-MESYL-6-(2-PROPARGYLOXYPHENYL)HEXANAMIDEME7714042.290.09NANA
SALICYLURIC ACIDME7717372.270.10NANA
{[(2S)-2-AZANIUMYL-4-METHYLPENTANOYL]AMINO}ACETATEME7712782.270.10NANA
9-[3,4-DIHYDROXY-5-[(METHYLTHIO)METHYL]TETRAHYDROFURAN-2-YL]-3H-PURIN-6-ONEME7711882.270.10NANA
CER 18:0;2O/17:0;(3OH)ME7716212.280.10NANA
DEOXYCHOLIC ACIDME7709992.280.10NANA
1-[2-HYDROXY-4-(3-HYDROXY-5-METHYL-PHENOXY)-6-METHYL-PHENYL]-3-METHYL-BUTANE-2,3-DIOLME7711602.260.11NANA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUTANOIC ACIDME7716792.260.11NANA
(2R)-3-HYDROXY-2-(SALICYLOYLAMINO)PROPIONIC ACIDME7717762.270.11NANA
1-(4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)-5-METHYL-PYRIMIDINE-2,4-QUINONEME7709882.270.11NANA
(1R,9S)-3,4,8-TRIHYDROXY-5-ISOPROPYL-11,11-DIMETHYL-16-OXATETRACYCLO[7.5.2.01,10.02,7]HEXADECA-2,4,6-TRIEN-15-ONEME7712732.270.11NANA
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACIDME7712302.360.01NANA
3-(3-HYDROXYPHENYL)PROPANOIC ACIDME7710162.360.01NANA
(Z)-3-(PENTADEC-8-EN-1-YL)BENZENE-1,2-DIOLME7711852.370.00NANA
3,4-BIS[(3-HYDROXYPHENYL)METHYL]OXOLAN-2-ONEME7712072.370.00NANA
9-GLYCERYLOXY-9-KETO-PELARGONIC ACIDME7710902.370.00NANA
4-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-2-NAPHTHOIC ACIDME7715672.370.01NANA
ISOLITHOCHOLIC ACIDME7710212.370.01NANA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACIDME7713762.310.06NANA
4-DODECYLBENZENE-1-SULFONIC ACIDME7712692.310.06NANA
(2E,6Z)-2,6-DIVANILLYLIDENECYCLOHEXANONEME7711332.310.07NANA
DEHYDROEPIANDROSTERONE SULFATEME7711252.310.07NANA
URIDINEME7709722.300.08NANA
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-CARBOXYPYRROLIDINO]-3-KETO-2-METHYL-PROPYL]DISULFANYL]-2-METHYL-PROPANOYL]PROLINEME7715742.290.07NANA
7,11B-DIHYDROINDENO[2,1-C]CHROMENE-3,4,6A,9,10(6H)-PENTOLME7715152.300.07NANA
6-(2-PROPARGYLOXYPHENYL)HEXANOIC ACIDME7711182.350.02NANA
(6E,10Z,14E)-2-KETO-6,14-DIMETHYL-3-METHYLENE-3A,4,5,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA[B]FURAN-10-CARBOXYLIC ACIDME7714392.350.03NANA
(4AR)-5-HYDROXY-7-ISOPROPYL-6-METHOXY-1,1-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-4A-CARBOXYLIC ACIDME7713932.320.05NANA
DTMPME7711902.320.05NANA
ACESULFAMEME7718442.330.05NANA
SULFURIC ACID [(8R,9S,10R,13S,14S,17R)-3-KETO-10,13-DIMETHYL-1,2,6,7,8,9,11,12,14,15,16,17-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL] ESTERME7714952.330.05NANA
1,7-BIS(3,4-DIHYDROXYPHENYL)-6-HYDROXY-HEPTAN-3-ONEME7713282.340.03NANA
4-(CHLOROMETHYL)-7-HYDROXY-8-METHYL-COUMARINME7712542.330.04NANA
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDEME7716462.340.04NANA
1,7,8-TRIHYDROXY-3-METHYL-2,3,4,7-TETRAHYDRO-1H-BENZ[A]ANTHRACEN-12-ONEME7711532.340.04NANA
5Z,8Z,11Z,14Z-EICOSATETRAENEDIOIC ACIDME7710752.340.04NANA

Factors:

F1Concentration:0.5x | FMT:Post | Sample type:Fecal matter
F2Concentration:0.5x | FMT:Pre | Sample type:Fecal matter
F3Concentration:2x | FMT:Post | Sample type:Fecal matter
F4Concentration:2x | FMT:Pre | Sample type:Fecal matter
Data matrix
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