Exact Mass: 422.0631

Exact Mass Matches: 422.0631

Found 48 metabolites which its exact mass value is equals to given mass value 422.0631, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Trehalose 2-sulfate

Trehalose 2-sulfate

C12H22O14S (422.073)


   

2-(2-Chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole

2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole

C21H12ClF5N2 (422.0609)


LXR-623 is a brain-penetrant partial LXRα and full LXRβ agonist, with IC50s of 24 nM and 179 nM, respectively.

   

Aurintricarboxylic acid

5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid

C22H14O9 (422.0638)


Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].

   
   

1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion

1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion

C22H14O9 (422.0638)


   

preussomerin J

preussomerin J

C22H14O9 (422.0638)


   

Anthracophyllin

Anthracophyllin

C22H14O9 (422.0638)


   

Didehydromirabazole A

Didehydromirabazole A

C18H22N4S4 (422.0727)


   

(?)-pestalachloride D

(?)-pestalachloride D

C21H20Cl2O5 (422.0688)


   

Lactose 3-sulfate

Lactose 3-sulfate

C12H22O14S (422.073)


   

(+)-5,6-O-CYCLOHEXYLIDENE-L-ASCORBICACID

(+)-5,6-O-CYCLOHEXYLIDENE-L-ASCORBICACID

C18H12F6O5 (422.0589)


   

(4-CHLORO-2-FLUOROPHENYL)(6-CHLORO-2-METHYL-8-(MORPHOLINOMETHYL)IMIDAZO[1,2-B]PYRIDAZIN-3-YL)METHANONE

(4-CHLORO-2-FLUOROPHENYL)(6-CHLORO-2-METHYL-8-(MORPHOLINOMETHYL)IMIDAZO[1,2-B]PYRIDAZIN-3-YL)METHANONE

C19H17Cl2FN4O2 (422.0713)


   

magnesium,2-propan-2-ylbenzenesulfonate

magnesium,2-propan-2-ylbenzenesulfonate

C18H22MgO6S2 (422.0708)


   

4-Nitrophenyl2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfatepotassiumsalt

4-Nitrophenyl2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfatepotassiumsalt

C14H18N2O11S (422.0631)


   

Lactose 6-sulfate

Lactose 6-sulfate

C12H22O14S (422.073)


   

7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one

7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one

C19H13F3N2O4S (422.0548)


   

N-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-adamantanecarbohydrazide

N-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-adamantanecarbohydrazide

C17H18ClF3N2O3S (422.0679)


   

Lactose-3-sulfate

Lactose-3-sulfate

C12H22O14S (422.073)


   

[(E)-[3-phenyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate

[(E)-[3-phenyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate

C15H20NO9S2- (422.0579)


   

[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen sulfate

[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen sulfate

C12H22O14S (422.073)


   
   

2-Phenylethylglucosinolate

2-Phenylethylglucosinolate

C15H20NO9S2- (422.0579)


   

4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose

4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose

C12H22O14S (422.073)


   

2-Chloro-5-{5-[2-cyano-2-(4-methoxy-phenylcarbamoyl)-vinyl]-furan-2-yl}-benzoic acid

2-Chloro-5-{5-[2-cyano-2-(4-methoxy-phenylcarbamoyl)-vinyl]-furan-2-yl}-benzoic acid

C22H15ClN2O5 (422.0669)


   

5-Chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

5-Chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

C18H16Cl2N4O4 (422.0549)


   

[(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl hydrogen sulfate

[(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl hydrogen sulfate

C12H22O14S (422.073)


   

beta-D-Galp6S-(1->4)-beta-D-Glcp

beta-D-Galp6S-(1->4)-beta-D-Glcp

C12H22O14S (422.073)


A glycosylglucose derivative that consists of beta-D-glucose having a 6-sulfated beta-D-galactosyl residue attached at position 4.

   

beta-D-Galp-(1->4)-beta-D-Glcp6S

beta-D-Galp-(1->4)-beta-D-Glcp6S

C12H22O14S (422.073)


A glycosylglucose derivative that consists of 6-sulfated beta-D-glucose with a beta-D-galactosyl residue attached at position 4.

   

Gal2S(a1-4)b-Glc

Gal2S(a1-4)b-Glc

C12H22O14S (422.073)


   

4-O-(3-O-sulfo-D-galactopyranosyl)-D-glucopyranose

4-O-(3-O-sulfo-D-galactopyranosyl)-D-glucopyranose

C12H22O14S (422.073)


   

[3,4-Dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate

[3,4-Dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate

C12H22O14S (422.073)


   

[3,4-Dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate

[3,4-Dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate

C12H22O14S (422.073)


   

Aurintricarboxylic acid

Aurintricarboxylic acid

C22H14O9 (422.0638)


Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].

   

gluconasturtiin(1-)

gluconasturtiin(1-)

C15H20NO9S2 (422.0579)


A aralkylglucosinolate that is the conjugate base of gluconasturtiin.

   

beta-D-Galp3S-(1->4)-beta-D-Glcp

beta-D-Galp3S-(1->4)-beta-D-Glcp

C12H22O14S (422.073)


A glycosylglucose derivative that consists of beta-D-glucose having a 3-sulfated beta-D-galactosyl residue attached at position 4.

   

(1r,4s,5r,6r,9r,11r,14s,15r,16r,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

(1r,4s,5r,6r,9r,11r,14s,15r,16r,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

(1s,10r)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

(1s,10r)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

C21H20Cl2O5 (422.0688)


   

(1r,4s,5s,9s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

(1r,4s,5s,9s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

C18H18N2O6S2 (422.0606)


   

(1s,10s)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

(1s,10s)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

C21H20Cl2O5 (422.0688)


   

2-(2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl)-4-[4-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5h-1,3-thiazol-2-yl]-1,3-thiazole

2-(2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl)-4-[4-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5h-1,3-thiazol-2-yl]-1,3-thiazole

C18H22N4S4 (422.0727)


   

2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-[(4s)-4-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5h-1,3-thiazol-2-yl]-1,3-thiazole

2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-[(4s)-4-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5h-1,3-thiazol-2-yl]-1,3-thiazole

C18H22N4S4 (422.0727)


   

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

C18H18N2O6S2 (422.0606)


   

(1r,4s,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

(1r,4s,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

C21H20Cl2O5 (422.0688)


   

(1r,10s)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

(1r,10s)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde

C21H20Cl2O5 (422.0688)