Exact Mass: 155.99780600000003

Exact Mass Matches: 155.99780600000003

Found 108 metabolites which its exact mass value is equals to given mass value 155.99780600000003, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Chlorobenzoic acid

2-Chlorobenzoic acid, copper (2+) salt

C7H5ClO2 (155.99780600000003)


KEIO_ID C088

   

4-Chlorobenzoic acid

4-Chlorobenzoic acid, sodium salt, 11C-labeled

C7H5ClO2 (155.99780600000003)


CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4340; ORIGINAL_PRECURSOR_SCAN_NO 4338 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4332; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4361; ORIGINAL_PRECURSOR_SCAN_NO 4356 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4423; ORIGINAL_PRECURSOR_SCAN_NO 4419 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4331; ORIGINAL_PRECURSOR_SCAN_NO 4328 CONFIDENCE standard compound; INTERNAL_ID 431; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4339; ORIGINAL_PRECURSOR_SCAN_NO 4337 KEIO_ID C104

   

methyl coenzyme M

methyl coenzyme M

C3H8O3S2 (155.9914858)


   

2,5-Furandicarboxylic acid

Furane-alpha,alpha-dicarboxylic acid

C6H4O5 (156.00587339999998)


2,5-Furandicarboxylic acid is a normal urinary metabolite in humans. (PMID:14708889, 8087979, 2338430, 3711221). Dietary studies show that the furan derivatives or their precursors are of exogenous origin. They are originated from furan derivatives found in food prepared by strong heating. This may explain the absence of 2,5-furandicarboxylic acid in urine of breastfed children, and the absence of these acids in the urine of rats, pigs, cows, oxs, rabbits, and monkeys (PMID 4630229). 2,5-Furandicarboxylic acid is also a microbial metabolite, a product of the oxidation of hydroxymethylfurfural (HMF) by the enzyme furfural/HMF oxidoreductase which is found in the bacterium Cupriavidus basilensis. Cupriavidus basilensis is a gram-negative soil bacterium of the genus Cupriavidus and the family Burkholderiaceae. 2,5-Furandicarboxylic acid increases with the level of fructose consumed (PMID:20194784). 2,5-Furandicarboxylic acid is a normal urinary metabolite in humans. (PMIDs 14708889, 8087979, 2338430, 3711221) 2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].

   

m-Chlorobenzoic acid

3-cholro-Benzoic acid

C7H5ClO2 (155.99780600000003)


m-Chlorobenzoic acid is a metabolic byproduct of the drug bupropion. Bupropion is sold as Wellbutrin, or Zyban and is an atypical antidepressant that acts as a norepinephrine and dopamine reuptake inhibitor, and nicotinic antagonist. In 2007 it was the fourth-most prescribed antidepressant in the United States retail market, with 20.184 million retail prescriptions. [HMDB] m-Chlorobenzoic acid is a metabolic byproduct of the drug bupropion. Bupropion is sold as Wellbutrin, or Zyban and is an atypical antidepressant that acts as a norepinephrine and dopamine reuptake inhibitor, and nicotinic antagonist. In 2007 it was the fourth-most prescribed antidepressant in the United States retail market, with 20.184 million retail prescriptions. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

S-Propyl thiosulfate

(Propylsulphanyl)sulphonic acid

C3H8O3S2 (155.9914858)


S-Propyl thiosulfate is found in onion-family vegetables. S-Propyl thiosulfate is a constituent of Allium cepa (onion). Constituent of Allium cepa (onion). S-Propyl thiosulfate is found in garden onion and onion-family vegetables.

   

Methyl phenyl disulfide

(Methyldisulphanyl)benzene

C7H8S2 (156.0067408)


Methyl phenyl disulfide is found in beverages. Methyl phenyl disulfide is found in cocoa. Methyl phenyl disulfide is a flavouring agent for baked goods, beverages and seasonings. Found in cocoa. Flavouring agent for baked goods, beverages and seasonings

   

3-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid

3-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid

C6H4O5 (156.00587339999998)


   

cis-Aconitic anhydride

2-(2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid

C6H4O5 (156.00587339999998)


   

O,O,S-Trimethyl phosphorothioate

Dimethyl (methylsulphanyl)phosphonic acid

C3H9O3PS (156.0010014)


   

S-Methyl coenzyme M

S-Methyl coenzyme M

C3H8O3S2 (155.9914858)


   
   

Dichlorodiethylsilane

Dichlorodiethylsilane

C4H10Cl2Si (155.99288)


   

m-Chlorobenzoic acid

m-Chlorobenzoic acid

C7H5ClO2 (155.99780600000003)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2,5-Furandicarboxylic acid

2,5-Furandicarboxylic acid

C6H4O5 (156.00587339999998)


2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].

   

Propyl thiosulfate

Propyl thiosulfate

C3H8O3S2 (155.9914858)


Annotation level-3

   

Dehydromucate

(1,5-Dimethylhexyl)hydrazine

C6H4O5 (156.00587339999998)


2,5-Furandicarboxylic acid, detected in human urine, is an important renewable biotechnological building block because it serves as an environmentally friendly substitute for terephthalic acid in the production of polyesters[1].

   

FEMA 3872

(methyldisulfanyl)benzene

C7H8S2 (156.0067408)


   

S-Propyl thiosulfate

(propylsulfanyl)sulfonic acid

C3H8O3S2 (155.9914858)


   
   

3,3,3-Trifluoropropylene carbonate

3,3,3-Trifluoropropylene carbonate

C4H3F3O3 (156.0034284)


   
   
   

2-Methyl-1-propanesulfonyl chloride

2-Methyl-1-propanesulfonyl chloride

C4H9ClO2S (156.00117640000002)


   

Sodium hydrogen DL-malate

Sodium hydrogen DL-malate

C4H5NaO5 (156.003468)


   
   

Oxo(2-thienyl)acetic acid

Oxo(2-thienyl)acetic acid

C6H4O3S (155.9881154)


   
   

furan-2,4-dicarboxylic acid

furan-2,4-dicarboxylic acid

C6H4O5 (156.00587339999998)


   
   

isopropylmethyldichlorosilane

isopropylmethyldichlorosilane

C4H10Cl2Si (155.99288)


   

Methylpropyldichlorosilane

Methylpropyldichlorosilane

C4H10Cl2Si (155.99288)


   
   
   

DL-MALIC ACID MONOSODIUM SALT

DL-MALIC ACID MONOSODIUM SALT

C4H5NaO5 (156.003468)


   

2-Formylthiophene-3-carboxylic acid

2-Formylthiophene-3-carboxylic acid

C6H4O3S (155.9881154)


   

6-sulfanylidene-1H-pyridazine-3-carboxylic acid

6-sulfanylidene-1H-pyridazine-3-carboxylic acid

C5H4N2O2S (155.9993484)


   

furan-2-boronic acid

furan-2-boronic acid

C5H5BO3S (156.005245)


   
   

(Dichloromethyl)trimethylsilane

(Dichloromethyl)(trimethyl)silane

C4H10Cl2Si (155.99288)


   

4-(METHYLTHIO)THIOPHENOL

4-(METHYLTHIO)THIOPHENOL

C7H8S2 (156.0067408)


   

3-THIENYLGLYOXYLIC ACID

3-THIENYLGLYOXYLIC ACID

C6H4O3S (155.9881154)


   

Bis(chloromethyl)(dimethyl)silane

Bis(chloromethyl)(dimethyl)silane

C4H10Cl2Si (155.99288)


   

5-nitropyridine-2-thiol

5-nitropyridine-2-thiol

C5H4N2O2S (155.9993484)


   

Methyl 3,3,3-trifluoro-2-oxopropanoate

Methyl 3,3,3-trifluoro-2-oxopropanoate

C4H3F3O3 (156.0034284)


   
   
   
   

1-CHLORO-3-(METHYLSULFONYL)PROPANE

1-CHLORO-3-(METHYLSULFONYL)PROPANE

C4H9ClO2S (156.00117640000002)


   

5-Formyl-3-thiophenecarboxylic acid

5-Formyl-3-thiophenecarboxylic acid

C6H4O3S (155.9881154)


   
   

3-nitropyridine-2-thiol

3-nitropyridine-2-thiol

C5H4N2O2S (155.9993484)


   

4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-6-oxo-2-thioxo-

4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-6-oxo-2-thioxo-

C5H4N2O2S (155.9993484)


   

Ethane,1-chloro-2-(ethylsulfonyl)-

Ethane,1-chloro-2-(ethylsulfonyl)-

C4H9ClO2S (156.00117640000002)


   
   

3-FORMYL-2-THIOPHENEBORONIC ACID

3-FORMYL-2-THIOPHENEBORONIC ACID

C5H5BO3S (156.005245)


   
   

5-Formyl-2-thiopheneboronic acid

5-Formyl-2-thiopheneboronic acid

C5H5BO3S (156.005245)


   

isobutyldichlorosilane

isobutyldichlorosilane

C4H10Cl2Si (155.99288)


   

2-Chloro-5-fluoroisonicotinonitrile

2-Chloro-5-fluoroisonicotinonitrile

C6H2ClFN2 (155.98905340000002)


   

(4-formylthiophen-2-yl)boronic acid

(4-formylthiophen-2-yl)boronic acid

C5H5BO3S (156.005245)


   

3,4-toluenedithiol

3,4-toluenedithiol

C7H8S2 (156.0067408)


   

(2-Formyl-3-thienyl)boronic acid

(2-Formyl-3-thienyl)boronic acid

C5H5BO3S (156.005245)


   

furan-2,3-dicarboxylic acid

furan-2,3-dicarboxylic acid

C6H4O5 (156.00587339999998)


   
   

O,O,O-Trimethyl phosphorothioate

trimethoxy(sulfanylidene)-λ5-phosphane

C3H9O3PS (156.0010014)


   

Magnesium malate

Magnesium Maleate, Dihydrate

C4H4MgO5 (155.99092339999999)


   

5-Formyl-2-thiophenecarboxylic acid

5-Formyl-2-thiophenecarboxylic acid

C6H4O3S (155.9881154)


   
   
   

2-Formylthiophene-4-boronic acid

2-Formylthiophene-4-boronic acid

C5H5BO3S (156.005245)


   
   

O,O,S-trimethyl phosphorothiate

O,O,S-Trimethyl phosphorothioate

C3H9O3PS (156.0010014)


   

cis-Aconitic anhydride

(2,5-Dioxotetrahydro-3-furanyl)acetic acid

C6H4O5 (156.00587339999998)


   

4,4,4-Trifluoro-3-oxobutanoic acid

4,4,4-Trifluoro-3-oxobutanoic acid

C4H3F3O3 (156.0034284)


   

Benzoyl chloride, 4-hydroxy- (9CI)

Benzoyl chloride, 4-hydroxy- (9CI)

C7H5ClO2 (155.99780600000003)


   
   

2-CHLORO-5-METHYL-1,4-BENZOQUINONE

2-CHLORO-5-METHYL-1,4-BENZOQUINONE

C7H5ClO2 (155.99780600000003)


   
   

3-FORMYL-2-THIOPHENECARBOXYLIC ACID

3-FORMYL-2-THIOPHENECARBOXYLIC ACID

C6H4O3S (155.9881154)


   
   
   

2,6-dioxo-3,6-dihydro-2H-pyran-4-carboxylic acid

2,6-dioxo-3,6-dihydro-2H-pyran-4-carboxylic acid

C6H4O5 (156.00587339999998)


   
   
   

Phenylphosphonate

Phenylphosphonate

C6H5O3P-2 (155.997631)


   
   
   

Phosphorothioic acid, S-(2-aminoethyl) ester

Phosphorothioic acid, S-(2-aminoethyl) ester

C2H7NO3PS- (155.98842620000002)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents

   

4-Carboxy-2-hydroxypenta-2,4-dienoate

4-Carboxy-2-hydroxypenta-2,4-dienoate

C6H4O5-2 (156.00587339999998)


   
   
   
   

(2E)-2-ethylidene-3-oxobutanedioate

(2E)-2-ethylidene-3-oxobutanedioate

C6H4O5-2 (156.00587339999998)


   
   
   
   

4-Chlorobenzoic acid

4-Chlorobenzoic acid

C7H5ClO2 (155.99780600000003)


A monochlorobenzoic acid carrying a chloro substituent at position 4.

   

2-Chlorobenzoic acid

2-Chlorobenzoic acid

C7H5ClO2 (155.99780600000003)


A monochlorobenzoic acid having the chloro group at the 2-position.

   

3-chlorobenzoic acid

3-chlorobenzoic acid

C7H5ClO2 (155.99780600000003)


A monochlorobenzoic acid carrying a chloro substituent at position 3. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Maleylacetate

Maleylacetate

C6H4O5 (156.00587339999998)


A 4-oxohex-2-enedioate that is the conjugate base of maleylacetic acid.

   

cysteamine S-phosphate(2-)

cysteamine S-phosphate(2-)

C2H7NO3PS (155.98842620000002)


An organic phosphorothioate anion that is the conjugate base of cysteamine S-phosphate, obtained by deprotonation of the two free thiophosohate OH groups and protonation of the amino group.

   

Furan-2,5-dicarboxylic acid

Furan-2,5-dicarboxylic acid

C6H4O5 (156.00587339999998)


A member of the class of furans carrying two carboxy substituents at positions 2 and 5.

   
   
   
   

5-hydroxy-4-oxopyran-2-carboxylic acid

NA

C6H4O5 (156.00587339999998)


{"Ingredient_id": "HBIN011619","Ingredient_name": "5-hydroxy-4-oxopyran-2-carboxylic acid","Alias": "NA","Ingredient_formula": "C6H4O5","Ingredient_Smile": "C1=C(OC=C(C1=O)O)C(=O)O","Ingredient_weight": "156.09 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37447","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "68139","DrugBank_id": "NA"}

   

1-hydroxy-1-propoxy-1λ⁶-disulfen-1-one

1-hydroxy-1-propoxy-1λ⁶-disulfen-1-one

C3H8O3S2 (155.9914858)