Exact Mass: 259.996

Exact Mass Matches: 259.996

Found 50 metabolites which its exact mass value is equals to given mass value 259.996, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Caffeic acid 4-O-sulfate

(2E)-3-[3-Hydroxy-4-(sulphooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)


Caffeic acid 4-sulfate, also known as caffeate 4-sulphate or caffeic acid 4-sulphuric acid, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Caffeic acid 4-sulfate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Caffeic acid 4-sulfate can be found primarily in blood and urine. Within the cell, caffeic acid 4-sulfate is primarily located in the cytoplasm. It can also be found in the extracellular space. Caffeic acid 4-O-sulfate (CAS: 1213651-94-5) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Caffeic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

   

Caffeic acid 3-O-sulfate

(2E)-3-[4-Hydroxy-3-(sulfooxy)phenyl]-2-propenoic acid

C9H8O7S (259.9991)


Caffeic acid 3-O-sulfate (CAS: 1208232-16-9) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Caffeic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

   

3,5-Dihydroxycinnamic acid sulfate

(2E)-3-[3-Hydroxy-5-(sulphooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)


   
   

6-bromo-1-methyl-9H-pyrido[3,4-b]indole

6-bromo-1-methyl-9H-pyrido[3,4-b]indole

C12H9BrN2 (259.9949)


   

p-sulfooxyphenylpyruvic acid

p-sulfooxyphenylpyruvic acid

C9H8O7S (259.9991)


   

Caffeic acid 3-sulfate

(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)


An aryl sulfate that is trans-caffeic acid in which the phenolic hydrogen at position 3 is replaced by a sulfo group. A metabolite from coffee.

   

Caffeic acid 4-sulfate

(2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)


   

4,4,4-Trifluorobutyl trifluoromethanesulfonate

4,4,4-Trifluorobutyl trifluoromethanesulfonate

C5H6F6O3S (259.9942)


   

5-(3,5-DICHLOROPHENYL)-5-OXOVALERIC ACID

5-(3,5-DICHLOROPHENYL)-5-OXOVALERIC ACID

C11H10Cl2O3 (260.0007)


   

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonyl chloride

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonyl chloride

C11H7ClF2O3 (260.0052)


   

Bismuth(3+) trihydroxide

Bismuth(3+) trihydroxide

BiH3O3 (259.9886)


   

1-((4-BROMOTHIOPHEN-2-YL)METHYL)PIPERAZINE

1-((4-BROMOTHIOPHEN-2-YL)METHYL)PIPERAZINE

C9H13BrN2S (259.9983)


   

TRIMETHYL 4-BROMOORTHOBENZOATE

TRIMETHYL 4-BROMOORTHOBENZOATE

C10H13BrO3 (260.0048)


   

Sulfonium,dimethyl(2-oxo-2-phenylethyl)-, bromide (1:1)

Sulfonium,dimethyl(2-oxo-2-phenylethyl)-, bromide (1:1)

C10H13BrOS (259.987)


   
   

BIS(2 2 2-TRIFLUOROETHYL)METHYLPHOSPHON&

BIS(2 2 2-TRIFLUOROETHYL)METHYLPHOSPHON&

C5H7F6O3P (260.0037)


   

2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid

2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid

C7H2F6N2O2 (260.002)


   

Benzene,2-(2-bromoethoxy)-1,3-dimethoxy-

Benzene,2-(2-bromoethoxy)-1,3-dimethoxy-

C10H13BrO3 (260.0048)


   

5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE

5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE

C10H13BrO3 (260.0048)


   

3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl chloride

3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl chloride

C11H10Cl2O3 (260.0007)


   

4-Bromo-1-methoxy-2-(2-methoxyethoxy)benzene

4-Bromo-1-methoxy-2-(2-methoxyethoxy)benzene

C10H13BrO3 (260.0048)


   

2-methyl-4-oxo-4-(3,4-dichlorophenyl)butyric acid

2-methyl-4-oxo-4-(3,4-dichlorophenyl)butyric acid

C11H10Cl2O3 (260.0007)


   

Ethyl 3-(2,5-dichlorophenyl)-3-oxopropanoate

Ethyl 3-(2,5-dichlorophenyl)-3-oxopropanoate

C11H10Cl2O3 (260.0007)


   

4-(2,2-DIMETHOXYETHOXY)BROMOBENZENE

4-(2,2-DIMETHOXYETHOXY)BROMOBENZENE

C10H13BrO3 (260.0048)


   

(E)-2-(2-TOSYLHYDRAZONO)ACETYL CHLORIDE

(E)-2-(2-TOSYLHYDRAZONO)ACETYL CHLORIDE

C9H9ClN2O3S (260.0022)


   

6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

6,8-DICHLORO-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

C11H10Cl2O3 (260.0007)


   

Ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

Ethyl 3-(3,5-dichlorophenyl)-3-oxopropanoate

C11H10Cl2O3 (260.0007)


   

Propanoic acid,2-hydroxy-, zinc salt, hydrate (2:1:1)

Propanoic acid,2-hydroxy-, zinc salt, hydrate (2:1:1)

C6H12O7Zn (259.9874)


   

4-Bromo-2-methoxy-1-(2-methoxyethoxy)benzene

4-Bromo-2-methoxy-1-(2-methoxyethoxy)benzene

C10H13BrO3 (260.0048)


   

7-CHLORO-5-(THIOPHEN-2-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

7-CHLORO-5-(THIOPHEN-2-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

C11H5ClN4S (259.9923)


   

(3S)-7-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

(3S)-7-Hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

C5H13N2O4PS2 (260.0054)


   

[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE

[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE

C10H10Cl2N2S (259.9942)


   

2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol

2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol

C10H13BrO3 (260.0048)


   

3-(3,5-Dichloro-4-methylbenzoyl)propionic acid

3-(3,5-Dichloro-4-methylbenzoyl)propionic acid

C11H10Cl2O3 (260.0007)


   

ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate

ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate

C11H10Cl2O3 (260.0007)


   

Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

Ethyl 5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

C8H6Cl2N4O2 (259.9868)


   

4-BromophenylMethylDimethoxysilane

4-BromophenylMethylDimethoxysilane

C9H13BrO2Si (259.9868)


   

Ethyl 2,6-dichlorobenzoylacetate

Ethyl 2,6-dichlorobenzoylacetate

C11H10Cl2O3 (260.0007)


   

Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate

Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate

C11H10Cl2O3 (260.0007)


   

5-(3,4-dichlorophenyl)-5-oxopentanoic acid

5-(3,4-dichlorophenyl)-5-oxopentanoic acid

C11H10Cl2O3 (260.0007)


   

4-(5-Bromo-3-fluoro-2-pyridinyl)morpholine

4-(5-Bromo-3-fluoro-2-pyridinyl)morpholine

C9H10BrFN2O (259.996)


   

9H-Pyrido[3,4-b]indole, 6-bromo-1-methyl-

9H-Pyrido[3,4-b]indole, 6-bromo-1-methyl-

C12H9BrN2 (259.9949)


   

Lawrencium

Lawrencium

Lr (260)


   

4-Pyridoxate 5-phosphate

4-Pyridoxate 5-phosphate

C8H7NO7P-3 (259.996)


   

2-(2-phenylethyl)-thiohydroximate-O-sulfate

2-(2-phenylethyl)-thiohydroximate-O-sulfate

C9H10NO4S2- (260.0051)


   

3,5-Dihydroxycinnamic acid sulfate

3,5-Dihydroxycinnamic acid sulfate

C9H8O7S (259.9991)


   

2-Oxo-3-(4-sulooxyphenyl)propanoic acid

2-Oxo-3-(4-sulooxyphenyl)propanoic acid

C9H8O7S (259.9991)


   

(2z)-2-hydroxy-3-[4-(sulfooxy)phenyl]prop-2-enoic acid

(2z)-2-hydroxy-3-[4-(sulfooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)


   

2-hydroxy-3-[4-(sulfooxy)phenyl]prop-2-enoic acid

2-hydroxy-3-[4-(sulfooxy)phenyl]prop-2-enoic acid

C9H8O7S (259.9991)