Exact Mass: 331.9731

Exact Mass Matches: 331.9731

Found 111 metabolites which its exact mass value is equals to given mass value 331.9731, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   
   

DICHLOFLUANID

DICHLOFLUANID

C9H11Cl2FN2O2S2 (331.9623)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 297 CONFIDENCE standard compound; INTERNAL_ID 3134

   

Lead nitrate

Lead(II) nitrate

Pb(NO3)2 (331.9523)


   

2,2'-Dithiobisbenzothiazole

2-(1,3-Benzothiazol-2-yldisulphanyl)-1,3-benzothiazole

C14H8N2S4 (331.957)


   

Glucocapparin

(e)-(1-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene)amino sulphuric acid

C8H14NO9S2 (332.011)


   

2,2-Dithiobis(benzothiazole)

2,2-Dithiobis(benzothiazole)

C14H8N2S4 (331.957)


   
   
   
   

Glycerol trisphosphate

Glycerol trisphosphate

C3H11O12P3 (331.9463)


   

Chlorfallacinal

Chlorfallacinal

C16H9ClO6 (332.0088)


   

Brivudine

Brivudine

C11H13BrN2O5 (332.0008)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor relative retention time with respect to 9-anthracene Carboxylic Acid is 0.528 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.524 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.522 Brivudine is a thymidine analogue with antiviral activity, indicated for the early treatment of acute herpes zoster.

   

3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

C14H14Cl2O5 (332.0218)


   

3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

C14H14Cl2O5 (332.0218)


   

3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000848472]

NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000848472]

C14H14Cl2O5 (332.0218)


   

3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]

NCGC00347689-02!3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]

C14H14Cl2O5 (332.0218)


   

2,2-Dithiobisbenzothiazole

2,2-Dithiobis(benzothiazole)

C14H8N2S4 (331.957)


   

2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid

2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid

C13H10Cl2O4S (331.9677)


   

6-BROMO-2-MERCAPTO-3-PHENYLQUINAZOLIN-4(3H)-ONE

6-BROMO-2-MERCAPTO-3-PHENYLQUINAZOLIN-4(3H)-ONE

C14H9BrN2OS (331.9619)


   

4-Chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

4-Chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

C12H7Cl3N2O3 (331.9522)


   

s-(trifluoromethyl)dibenzothiophenium-3-sulfonate

s-(trifluoromethyl)dibenzothiophenium-3-sulfonate

C13H7F3O3S2 (331.9789)


   

Benzene,1,1-sulfonylbis[4-isothiocyanato-

Benzene,1,1-sulfonylbis[4-isothiocyanato-

C14H8N2O2S3 (331.9748)


   

3,5-BIS(METHYLSULFONYL)BENZENESULFONYLCHLORIDE

3,5-BIS(METHYLSULFONYL)BENZENESULFONYLCHLORIDE

C8H9ClO6S3 (331.925)


   

2-{[(4-Chlorophenyl)sulfonyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid

2-{[(4-Chlorophenyl)sulfonyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid

C11H9ClN2O4S2 (331.9692)


   

(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone

(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone

C16H13BrO3 (332.0048)


   
   
   

1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt monohydrate

1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt monohydrate

C6H6Na2O9S2 (331.9249)


   

(2E)-3-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acr ylic acid

(2E)-3-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acr ylic acid

C16H10Cl2N2O2 (332.0119)


   

1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid

1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C11H9ClN2O6S (331.987)


   

3-(4-[(4-BROMOBENZYL)OXY]PHENYL)ACRYLIC ACID

3-(4-[(4-BROMOBENZYL)OXY]PHENYL)ACRYLIC ACID

C16H13BrO3 (332.0048)


   

1-(4-((5-BROMO-2-HYDROXYBENZYLIDENE)AMINO)PHENYL)ETHANONE OXIME

1-(4-((5-BROMO-2-HYDROXYBENZYLIDENE)AMINO)PHENYL)ETHANONE OXIME

C15H13BrN2O2 (332.016)


   

Methyl 2-[4-(bromomethyl)benzoyl]benzoate

Methyl 2-[4-(bromomethyl)benzoyl]benzoate

C16H13BrO3 (332.0048)


   

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-phenylethanone

1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-phenylethanone

C16H13BrO3 (332.0048)


   

decyl dihydrogen phosphate, potassium salt

decyl dihydrogen phosphate, potassium salt

C14H14KO5P (332.0216)


   

CYCLOPENTADIENYLDICARBONYL(TETRAHYDROFURAN)IRON(II) TETRAFLUOROBORATE

CYCLOPENTADIENYLDICARBONYL(TETRAHYDROFURAN)IRON(II) TETRAFLUOROBORATE

C11H9BF4FeO3 (331.993)


   

1-(3-bromo-benzenesulfonyl)-4-methyl-[1,4]diazepane

1-(3-bromo-benzenesulfonyl)-4-methyl-[1,4]diazepane

C12H17BrN2O2S (332.0194)


   

2,3,5,6-TETRAFLUORO-4-(PENTAFLUOROPHENYL)PHENOL

2,3,5,6-TETRAFLUORO-4-(PENTAFLUOROPHENYL)PHENOL

C12HF9O (331.9884)


   

SAMARIUM(III) ACETATE HYDRATE

SAMARIUM(III) ACETATE HYDRATE

C6H12O6Sm (331.9831)


   

Naphthalenedisulfonic aciddisodium salt

Naphthalenedisulfonic aciddisodium salt

C10H6Na2O6S2 (331.9401)


   

2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

C13H9BrN4S (331.9731)


   

3-(4-BROMOPHENYL)-2-THIOXO-2,3-DIHYDROQUINAZOLIN-4(1H)-ONE

3-(4-BROMOPHENYL)-2-THIOXO-2,3-DIHYDROQUINAZOLIN-4(1H)-ONE

C14H9BrN2OS (331.9619)


   

1-[(4-Bromophenyl)sulfonyl]-4-ethylpiperazine

1-[(4-Bromophenyl)sulfonyl]-4-ethylpiperazine

C12H17BrN2O2S (332.0194)


   

5-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C11H10BrClN2OS (331.9386)


   
   

3-CHLORO-5-(PERFLUOROBENZYLTHIO)-1,2,4-THIADIAZOLE

3-CHLORO-5-(PERFLUOROBENZYLTHIO)-1,2,4-THIADIAZOLE

C9H2ClF5N2S2 (331.9268)


   

5-Iodo-2-trifluoromethoxyphenylboronic acid

5-Iodo-2-trifluoromethoxyphenylboronic acid

C7H5BF3IO3 (331.9329)


   

4-BROMO-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE

4-BROMO-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE

C12H17BrN2O2S (332.0194)


   

2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

C13H9BrN4S (331.9731)


   

2,2,2-TRICHLORO-1-[1-(2-NITROPHENYL)-1H-PYRROL-2-YL]ETHAN-1-ONE

2,2,2-TRICHLORO-1-[1-(2-NITROPHENYL)-1H-PYRROL-2-YL]ETHAN-1-ONE

C12H7Cl3N2O3 (331.9522)


   

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol

C7H4F12O (332.0071)


   

3-IODO-4-PHENYL-1,2-DIHYDRO-NAPHTHALENE

3-IODO-4-PHENYL-1,2-DIHYDRO-NAPHTHALENE

C16H13I (332.0062)


   

2-(2-BROMO-PHENYL)-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID METHYL ESTER

2-(2-BROMO-PHENYL)-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID METHYL ESTER

C16H13BrO3 (332.0048)


   

Tetrachloro-bis-(tetrahydrofuran)titanium(IV)

Tetrachloro-bis-(tetrahydrofuran)titanium(IV)

C8H16Cl4O2Ti (331.9384)


   

9-Bromotriptycene

9-Bromotriptycene

C20H13Br (332.0201)


   

methyl (2Z,4Z)-2-(bromomethyl)-5-chloro-5-(4-fluorophenyl)penta-2,4-dienoate

methyl (2Z,4Z)-2-(bromomethyl)-5-chloro-5-(4-fluorophenyl)penta-2,4-dienoate

C13H11BrClFO2 (331.9615)


   

1-PHENYL-4(3,5-DICHLORO-2-HYDROXYBENZOYL)-PYRAZOLE

1-PHENYL-4(3,5-DICHLORO-2-HYDROXYBENZOYL)-PYRAZOLE

C16H10Cl2N2O2 (332.0119)


   

2-(4-Bromophenyl)-4-chloro-5-methylquinazoline

2-(4-Bromophenyl)-4-chloro-5-methylquinazoline

C15H10BrClN2 (331.9716)


   

N1-(2,6-DICHLORO-4-PYRIDYL)-2-(2,4-DIFLUOROPHENYL)HYDRAZINE-1-CARBOXAMIDE

N1-(2,6-DICHLORO-4-PYRIDYL)-2-(2,4-DIFLUOROPHENYL)HYDRAZINE-1-CARBOXAMIDE

C12H8Cl2F2N4O (332.0043)


   

5-(2-bromopyridin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

5-(2-bromopyridin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C13H9BrN4S (331.9731)


   

Disodium 1,5-naphthalenedisulfonate

Disodium 1,5-naphthalenedisulfonate

C10H6Na2O6S2 (331.9401)


   

Sodium naphthalene-2,7-disulfonate

Sodium naphthalene-2,7-disulfonate

C10H6Na2O6S2 (331.9401)


   

Disodium 1,6-naphthalenedisulfonate

Disodium 1,6-naphthalenedisulfonate

C10H6Na2O6S2 (331.9401)


   

Sodium naphthalene-2,6-disulfonate

Sodium naphthalene-2,6-disulfonate

C10H6Na2O6S2 (331.9401)


   

Perfluoro(2-methyl-3-oxahexanoyl) fluoride,(Hexafluoropropen oxide dimer)

Perfluoro(2-methyl-3-oxahexanoyl) fluoride,(Hexafluoropropen oxide dimer)

C6F12O2 (331.9707)


   

1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether

1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether

C7H4F12O (332.0071)


   

Perfluoro(2-methyl-3-oxahexanoyl) fluoride

Perfluoro(2-methyl-3-oxahexanoyl) fluoride

C6F12O2 (331.9707)


   

2,3,4,5,5,5-HEXAFLUORO-2,4-BIS(TRIFLUOROMETHYL)-1-PENTANOL

2,3,4,5,5,5-HEXAFLUORO-2,4-BIS(TRIFLUOROMETHYL)-1-PENTANOL

C7H4F12O (332.0071)


   
   

9-Bromo-10-phenylanthracene

9-Bromo-10-phenylanthracene

C20H13Br (332.0201)


   

1-(3-bromo-4-methyphenylsulfonyl)-4-methylpiperazine

1-(3-bromo-4-methyphenylsulfonyl)-4-methylpiperazine

C12H17BrN2O2S (332.0194)


   

plumbocene

plumbocene

C10H4Pb (332.0079)


   

2-CHLORO-4-[(2-CHLORO-2-PHENYLETHYL)SULFONYL]-1-FLUOROBENZENE

2-CHLORO-4-[(2-CHLORO-2-PHENYLETHYL)SULFONYL]-1-FLUOROBENZENE

C14H11Cl2FO2S (331.9841)


   

6-BroMo-3-broMoMethyl-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl

6-BroMo-3-broMoMethyl-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl

C11H14Br2N2 (331.9524)


   

METHYL 4-CHLORO-6-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE

METHYL 4-CHLORO-6-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE

C13H8ClF3N2O3 (332.0176)


   

4-CHLORO-[4-(1,1,2,2-TETRAFLUOROETHOXY)]BENZOPHENONE

4-CHLORO-[4-(1,1,2,2-TETRAFLUOROETHOXY)]BENZOPHENONE

C15H9ClF4O2 (332.0227)


   

1-[(3-Bromophenyl)sulfonyl]-4-ethylpiperazine

1-[(3-Bromophenyl)sulfonyl]-4-ethylpiperazine

C12H17BrN2O2S (332.0194)


   

4-Azido-2,3,5,6-tetrafluorobenzoicacid

4-Azido-2,3,5,6-tetrafluorobenzoicacid

C11H4F4N4O4 (332.0169)


   

2,2,3,3,4,4,4-Heptafluorobutyl trifluoromethanesulfonate

2,2,3,3,4,4,4-Heptafluorobutyl trifluoromethanesulfonate

C5H2F10O3S (331.9565)


   

2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl=trifluoroacetate

2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl=trifluoroacetate

C6F12O2 (331.9707)


   

Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate

Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate

C10H9BrN2O6 (331.9644)


   

2-(4-Bromophenyl)-4-chloro-6-methylquinazoline

2-(4-Bromophenyl)-4-chloro-6-methylquinazoline

C15H10BrClN2 (331.9716)


   

3-BROMO-5-(4-METHYLBENZYLSULFONYL)-1,2,4-THIADIAZOLE

3-BROMO-5-(4-METHYLBENZYLSULFONYL)-1,2,4-THIADIAZOLE

C10H9BrN2O2S2 (331.9289)


   

2,3,5,6-TetrafluorodibenzylbroMide

2,3,5,6-TetrafluorodibenzylbroMide

C14H9BrF4 (331.9824)


   

2-[(2-bromo-1,3-thiazol-5-yl)sulfanylmethyl]-5-tert-butyl-1,3-oxazole

2-[(2-bromo-1,3-thiazol-5-yl)sulfanylmethyl]-5-tert-butyl-1,3-oxazole

C11H13BrN2OS2 (331.9653)


   

4-cyclopentyloxy-3-iodobenzoic acid

4-cyclopentyloxy-3-iodobenzoic acid

C12H13IO3 (331.9909)


   

3-iodo-4-piperazin-1-ylbenzoic acid

3-iodo-4-piperazin-1-ylbenzoic acid

C11H13IN2O2 (332.0022)


   
   

Dinitrooxylead

Dinitrooxylead

N2O6Pb (331.9523)


   

3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxy-1H-2-benzopyran-1-one

3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxy-1H-2-benzopyran-1-one

C14H14Cl2O5 (332.0218)


   

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

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

C8H14NO9S2- (332.011)


   

5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide

5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide

C10H9BrN2O2S2 (331.9289)


   
   

N-(4-acetamidophenyl)-2-bromobenzamide

N-(4-acetamidophenyl)-2-bromobenzamide

C15H13BrN2O2 (332.016)


   

2-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester

2-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester

C12H10Cl2N2O3S (331.9789)


   

3-(4-Chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(4-Chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H9ClN4S2 (331.9957)


   

4-bromo-N-[(4-methylbenzoyl)oxy]benzenecarboximidamide

4-bromo-N-[(4-methylbenzoyl)oxy]benzenecarboximidamide

C15H13BrN2O2 (332.016)


   

5-bromo-N-(5-methyl-2-pyridinyl)-2-thiophenesulfonamide

5-bromo-N-(5-methyl-2-pyridinyl)-2-thiophenesulfonamide

C10H9BrN2O2S2 (331.9289)


   

5-bromo-N-(2-pyridinylmethyl)-2-thiophenesulfonamide

5-bromo-N-(2-pyridinylmethyl)-2-thiophenesulfonamide

C10H9BrN2O2S2 (331.9289)


   

4-Bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

4-Bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

C15H10BrFN2O (331.996)


   

3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide

3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide

C11H13BrN2O3S (331.983)


   

4-bromo-N-{[(3-methylphenyl)carbonyl]oxy}benzenecarboximidamide

4-bromo-N-{[(3-methylphenyl)carbonyl]oxy}benzenecarboximidamide

C15H13BrN2O2 (332.016)


   

4-[(1-Methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidine

4-[(1-Methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidine

C12H8N6S3 (331.9973)


   

1-S-[(1Z)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose

1-S-[(1Z)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose

C8H14NO9S2- (332.011)


   

5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C11H13BrN2O5 (332.0008)


   

glucocapparin(1-)

glucocapparin(1-)

C8H14NO9S2 (332.011)


An alkylglucosinolate that is the conjugate base of glucocapparin.

   

3-[(1s,2s)-1,3-dichloro-2-hydroxypropyl]-6,8-dimethoxyisochromen-1-one

3-[(1s,2s)-1,3-dichloro-2-hydroxypropyl]-6,8-dimethoxyisochromen-1-one

C14H14Cl2O5 (332.0218)


   

(2s)-2-amino-4-{[(3s)-3-amino-3-(selanylcarbonyl)propyl]disulfanyl}butanoic acid

(2s)-2-amino-4-{[(3s)-3-amino-3-(selanylcarbonyl)propyl]disulfanyl}butanoic acid

C8H16N2O3S2Se (331.9768)


   

3-(1,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

3-(1,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

C14H14Cl2O5 (332.0218)


   

3-[(1r,2s)-1,3-dichloro-2-hydroxypropyl]-6,8-dimethoxyisochromen-1-one

3-[(1r,2s)-1,3-dichloro-2-hydroxypropyl]-6,8-dimethoxyisochromen-1-one

C14H14Cl2O5 (332.0218)