Exact Mass: 136.990855

Exact Mass Matches: 136.990855

Found 125 metabolites which its exact mass value is equals to given mass value 136.990855, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

benzenecarbothioamide

Benzenecarboimidothioate

C7H7NS (137.0299182)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents

   

1H-Pyrrolo[2,1-c][1,4]thiazine

1H-pyrrolo[2,1-c]-1,4-Thiazine

C7H7NS (137.0299182)


Cysteine-derived Maillard product with a meaty, roasty aroma. Cysteine-derived Maillard product with a meaty, roasty aroma

   

1-Mononitroglycerin

Glycerol-1-nitrate, (+-)-isomer

C3H7NO5 (137.0324212)


   

4,4,4-Trifluoro-3-oxobutanenitrile

4,4,4-Trifluoro-3-oxobutanenitrile

C4H2F3NO (137.00884779999998)


   

8-Azahypoxanthine

2H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C4H3N5O (137.0337588)


   

S-oxocysteine

2-Amino-3-sulphinylpropanoic acid

C3H7NO3S (137.0146632)


   

Cyanomethyl dihydrogen phosphate

Cyanomethyl dihydrogen phosphoric acid

C2H4NO4P (136.9877954)


   

1-Nitropropane-1,2,3-triol

1-Nitropropane-1,2,3-triol

C3H7NO5 (137.0324212)


   

serine thiol

2-amino-3-hydroxypropane(thioperoxoic) OS-acid

C3H7NO3S (137.0146632)


   

Salicylates

2-Hydroxybenzoic acid ion(1-)

C7H5O3 (137.023868)


Salicylates, also known as 2-hydroxybenzoic acid or sal, is a member of the class of compounds known as salicylic acids. Salicylic acids are ortho-hydroxylated benzoic acids. Salicylates is soluble (in water) and a moderately acidic compound (based on its pKa). Salicylates can be found in a number of food items such as arabica coffee, apple, common thyme, and rosemary, which makes salicylates a potential biomarker for the consumption of these food products. Salicylic acid (from Latin salix, willow tree) is a lipophilic monohydroxybenzoic acid, a type of phenolic acid, and a beta hydroxy acid (BHA). It has the formula C7H6O3. This colorless crystalline organic acid is widely used in organic synthesis and functions as a plant hormone. It is derived from the metabolism of salicin. In addition to serving as an important active metabolite of aspirin (acetylsalicylic acid), which acts in part as a prodrug to salicylic acid, it is probably best known for its use as a key ingredient in topical anti-acne products. The salts and esters of salicylic acid are known as salicylates .

   

4-hydroxybenzoate

4-Hydroxybenzoic acid, ion(1-)

C7H5O3 (137.023868)


4-hydroxybenzoate, also known as 4-hydroxybenzoic acid, dilithium salt or para-hydroxybenzoic acid, is a member of the class of compounds known as benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. 4-hydroxybenzoate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxybenzoate can be found in a number of food items such as fennel, silver linden, cucurbita (gourd), and chinese cabbage, which makes 4-hydroxybenzoate a potential biomarker for the consumption of these food products.

   

2-Azahypoxanthine

2-Azahypoxanthine

C4H3N5O (137.0337588)


   

(cyano(hydroxy)methyl)phosphonic acid

(cyano(hydroxy)methyl)phosphonic acid

C2H4NO4P (136.9877954)


   

1-MONONITROGLYCERIN

Glyceryl 1-mononitrate

C3H7NO5 (137.0324212)


   

5-Diazoimidazole-4-carboxamide

5-Diazoimidazole-4-carboxamide

C4H3N5O (137.0337588)


   

1H-pyrrolo[2,1-c]-1,4-Thiazine

1H-pyrrolo[2,1-c]-1,4-Thiazine

C7H7NS (137.0299182)


   

5-Fluorobenzoxazole

5-Fluorobenzoxazole

C7H4FNO (137.0276906)


   

benzothiazoline

benzothiazoline

C7H7NS (137.0299182)


   

4-Fluorophenylisocyanate

4-Fluorophenylisocyanate

C7H4FNO (137.0276906)


   

Thiazolo[5,4-d]pyrimidine (6CI,7CI,8CI,9CI)

Thiazolo[5,4-d]pyrimidine (6CI,7CI,8CI,9CI)

C5H3N3S (137.0047678)


   

1,2,4-Thiadiazol-5-amine hydrochloride (1:1)

1,2,4-Thiadiazol-5-amine hydrochloride (1:1)

C2H4ClN3S (136.9814454)


   

(R)-3-Amino-g-butyrolactone hydrochloride

(R)-3-Amino-g-butyrolactone hydrochloride

C4H8ClNO2 (137.0243538)


   

Pyrimido[5,4-e]-1,2,4-dioxazine (9CI)

Pyrimido[5,4-e]-1,2,4-dioxazine (9CI)

C5H3N3O2 (137.0225258)


   

Ammonium Magnesium Phosphate Hexahydrate

Ammonium Magnesium Phosphate Hexahydrate

H4MgNO4P (136.9728454)


   

2-MONONITROGLYCERIN

2-MONONITROGLYCERIN

C3H7NO5 (137.0324212)


   

2-(2-Chloroethoxy)Acetamide

2-(2-Chloroethoxy)Acetamide

C4H8ClNO2 (137.0243538)


   

3-Fluoro-4-hydroxybenzonitrile

3-Fluoro-4-hydroxybenzonitrile

C7H4FNO (137.0276906)


   
   

5-Nitro-1H-pyrrole-2-carbonitrile

5-Nitro-1H-pyrrole-2-carbonitrile

C5H3N3O2 (137.0225258)


   

2-Chloro-5-ethynylpyridine

2-Chloro-5-ethynylpyridine

C7H4ClN (137.0032254)


   

5-Chloro-2-ethynylpyridine

5-Chloro-2-ethynylpyridine

C7H4ClN (137.0032254)


   

1-cyano-3-methylisothiourea sodium salt

1-cyano-3-methylisothiourea sodium salt

C3H4N3NaS (137.00236239999998)


   

Azetidine-3-carboxylic acid��HCl

Azetidine-3-carboxylic acid��HCl

C4H8ClNO2 (137.0243538)


   

1H-1,2,4-Triazole,3,5-dichloro-

1H-1,2,4-Triazole,3,5-dichloro-

C2HCl2N3 (136.9547526)


   

PYRAZOLE-3-CARBONYL AZIDE

PYRAZOLE-3-CARBONYL AZIDE

C4H3N5O (137.0337588)


   
   

2-Fluoro-6-hydroxybenzonitrile

2-Fluoro-6-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

furan-2-carbonyl isocyanate

furan-2-carbonyl isocyanate

C6H3NO3 (137.0112928)


   

4-cyano-1H-imidazole-5-carboxylic acid

4-cyano-1H-imidazole-5-carboxylic acid

C5H3N3O2 (137.0225258)


   

Ammonium sodium hydrogen phosphate

Ammonium sodium hydrogen phosphate

H5NNaO4P (136.98539)


   

L-AZETIDINE-2-CARBOXYLIC ACID HCL

L-AZETIDINE-2-CARBOXYLIC ACID HCL

C4H8ClNO2 (137.0243538)


   

1-chloro-4-isocyanobenzene

1-chloro-4-isocyanobenzene

C7H4ClN (137.0032254)


   

1-chloro-2-isocyanobenzene

1-chloro-2-isocyanobenzene

C7H4ClN (137.0032254)


   

2-(THIEN-2-YL)ETHYLISOCYANIDE

2-(THIEN-2-YL)ETHYLISOCYANIDE

C7H7NS (137.0299182)


   

2-aminobut-3-enoic acid,hydrochloride

2-aminobut-3-enoic acid,hydrochloride

C4H8ClNO2 (137.0243538)


   

8-Azahypoxanthine

8-Azahypoxanthine

C4H3N5O (137.0337588)


   

3-chloro-5-ethynylpyridine

3-chloro-5-ethynylpyridine

C7H4ClN (137.0032254)


   

1-Amino-cyclopropane-1-carboxylic acid hydrochloride

1-Amino-cyclopropane-1-carboxylic acid hydrochloride

C4H8ClNO2 (137.0243538)


   

D-Homoserine Lactone hydrochloride

D-Homoserine Lactone hydrochloride

C4H8ClNO2 (137.0243538)


   
   
   

5-ETHYNYL-2,4-DIMETHYLTHIAZOLE

5-ETHYNYL-2,4-DIMETHYLTHIAZOLE

C7H7NS (137.0299182)


   

5-Fluoro-1H-benzotriazole

5-Fluoro-1H-benzotriazole

C6H4FN3 (137.0389236)


   

5-FLUORO-1,2-BENZISOXAZOLE

5-FLUORO-1,2-BENZISOXAZOLE

C7H4FNO (137.0276906)


   

3-Fluoro-5-hydroxybenzonitrile

3-Fluoro-5-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

3-Fluoro-2-hydroxybenzonitrile

3-Fluoro-2-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

4-Fluoro-2-hydroxybenzonitrile

4-Fluoro-2-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

4-Cyanofuran-2-carboxylic acid

4-Cyanofuran-2-carboxylic acid

C6H3NO3 (137.0112928)


   

3-(Trifluoromethyl)-1H-1,2,4-triazole

3-(Trifluoromethyl)-1H-1,2,4-triazole

C3H2F3N3 (137.0200808)


   

Cyclopropanecarboxylic acid, 1-amino-2,2-difluoro- (9CI)

Cyclopropanecarboxylic acid, 1-amino-2,2-difluoro- (9CI)

C4H5F2NO2 (137.0288334)


   

3-Chlorobenzonitrile

3-Chlorobenzonitrile

C7H4ClN (137.0032254)


   

2-Chlorobenzonitrile

2-Chlorobenzonitrile

C7H4ClN (137.0032254)


   

5-Formylthiophene-2-carbonitrile

5-Formylthiophene-2-carbonitrile

C6H3NOS (136.99353480000002)


   

Thieno[2,3-c]pyridine, 2,3-dihydro- (9CI)

Thieno[2,3-c]pyridine, 2,3-dihydro- (9CI)

C7H7NS (137.0299182)


   

3-cyano-1H-pyrazole-5-carboxylic acid

3-cyano-1H-pyrazole-5-carboxylic acid

C5H3N3O2 (137.0225258)


   

4-Chlorobenzonitrile

4-Chlorobenzonitrile

C7H4ClN (137.0032254)


   

4-Fluoro-3-hydroxybenzonitrile

4-Fluoro-3-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

5-cyanofuran-2-carboxylic acid

5-cyanofuran-2-carboxylic acid

C6H3NO3 (137.0112928)


   

(R)-Azetidine-2-carboxylic acid hydrochloride

(R)-Azetidine-2-carboxylic acid hydrochloride

C4H8ClNO2 (137.0243538)


   

4-Chloro-2-ethynyl-pyridine

4-Chloro-2-ethynyl-pyridine

C7H4ClN (137.0032254)


   

(2S)-2-Hydroxy(2-2H)butanedioic acid

(2S)-2-Hydroxy(2-2H)butanedioic acid

C4H3D3O5 (137.04035413399998)


   

2-Pyridinecarbonitrile,5-amino-3-fluoro-(9CI)

2-Pyridinecarbonitrile,5-amino-3-fluoro-(9CI)

C6H4FN3 (137.0389236)


   

2-Chloro-6-ethynylpyridine

2-Chloro-6-ethynylpyridine

C7H4ClN (137.0032254)


   

o-Fluorophenyl isocyanate

o-Fluorophenyl isocyanate

C7H4FNO (137.0276906)


   
   

2-Fluoro-5-hydroxybenzonitrile

2-Fluoro-5-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

chloromethyl N,N-dimethylcarbamate

chloromethyl N,N-dimethylcarbamate

C4H8ClNO2 (137.0243538)


   

(S)-3-Amino-gamma-butyrolactone hydrochloride

(S)-3-Amino-gamma-butyrolactone hydrochloride

C4H8ClNO2 (137.0243538)


   

(S)-Azetidine-2-carboxylic acid hydrochloride

(S)-Azetidine-2-carboxylic acid hydrochloride

C4H8ClNO2 (137.0243538)


   

3-Cyano-2-fluorophenol

3-Cyano-2-fluorophenol

C7H4FNO (137.0276906)


   

2-Amino-3-cyano-5-fluoropyridine

2-Amino-3-cyano-5-fluoropyridine

C6H4FN3 (137.0389236)


   
   

AZETIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE

AZETIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE

C4H8ClNO2 (137.0243538)


   

3-chloro-alaninemethyl ester

3-chloro-alaninemethyl ester

C4H8ClNO2 (137.0243538)


   

Thiazolo[4,5-d]pyrimidine (8CI,9CI)

Thiazolo[4,5-d]pyrimidine (8CI,9CI)

C5H3N3S (137.0047678)


   

3-Amino-3-iminopropanamide hydrochloride (1:1)

3-Amino-3-iminopropanamide hydrochloride (1:1)

C3H8ClN3O (137.0355868)


   

2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

C5H3N3O2 (137.0225258)


   

2-Fluoro-4-hydroxybenzonitrile

2-Fluoro-4-hydroxybenzonitrile

C7H4FNO (137.0276906)


   

L-homoserine lactone hydrochloride

L-homoserine lactone hydrochloride

C4H8ClNO2 (137.0243538)


   

6-fluoroimidazo[1,2-b]pyridazine

6-fluoroimidazo[1,2-b]pyridazine

C6H4FN3 (137.0389236)


   

2-Chloro-N-methoxy-N-methylacetamide

2-Chloro-N-methoxy-N-methylacetamide

C4H8ClNO2 (137.0243538)


   

S-Hydroxycysteine

S-Hydroxycysteine

C3H7NO3S (137.0146632)


   

Dimethylarsinate

Dimethylarsinate

C2H6AsO2- (136.9583736)


The arsenic oxoanion that is the conjugate base of dimethylarsinic acid. D010575 - Pesticides > D006540 - Herbicides COVID info from PDB, Protein Data Bank D016573 - Agrochemicals Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-Hydroxybenzoate

3-Hydroxybenzoate

C7H5O3- (137.023868)


A monohydroxybenzoate that is the conjugate base of 3-hydroxybenzoic acid.

   
   

2-Oxopropane sulfonate

2-Oxopropane sulfonate

C3H5O4S- (136.990855)


   

Ammonium magnesium orthophosphate

Ammonium magnesium orthophosphate

H4MgNO4P (136.9728454)


   

Diethyl phosphonate

Diethyl phosphonate

C4H10O3P+ (137.036754)


   

3-{[Oxido(oxo)phosphino]oxy}propan-1-olate

3-{[Oxido(oxo)phosphino]oxy}propan-1-olate

C3H6O4P- (137.0003706)


   

Salicylate

Salicylate

C7H5O3- (137.023868)


D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents A monohydroxybenzoate that is the conjugate base of salicylic acid. D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors

   

4-hydroxybenzoate

4-hydroxybenzoate

C7H5O3- (137.023868)


The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Trans-urocanate

Trans-urocanate

C6H5N2O2- (137.035101)


A urocanate obtained by deprotonation of the carboxy group of trans-urocanic acid; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Sodium ammonium phosphate

Sodium ammonium phosphate

H5NNaO4P (136.98539)


   

3-Sulfopropanal

3-Sulfopropanal

C3H5O4S- (136.990855)


   

(1R,2S)-epoxypropylphosphonate(1-)

(1R,2S)-epoxypropylphosphonate(1-)

C3H6O4P- (137.0003706)


An organophosphonate oxoanion obtained by deprotonation of one of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid; major species at pH 7.3.

   

1-Mononitroglycerol

1-Mononitroglycerol

C3H7NO5 (137.0324212)


   

Methylacetylphosphonate

Methylacetylphosphonate

C3H6O4P- (137.0003706)


   

2-Oxido-5-methylquinone

2-Oxido-5-methylquinone

C7H5O3- (137.023868)


   

Acetonylphosphonate

Acetonylphosphonate

C3H6O4P- (137.0003706)


   

Butyl(hydroxy)phosphinate

Butyl(hydroxy)phosphinate

C4H10O3P- (137.036754)


   

2-Aminopyridine-3-carboxylate

2-Aminopyridine-3-carboxylate

C6H5N2O2- (137.035101)


   

6-Aminonicotinate

6-Aminonicotinate

C6H5N2O2- (137.035101)


   

(2R)-2-azaniumyl-3-hydroxysulfanylpropanoate

(2R)-2-azaniumyl-3-hydroxysulfanylpropanoate

C3H7NO3S (137.0146632)


   

1-Aminocyclopropylphosphonic acid

1-Aminocyclopropylphosphonic acid

C3H8NO3P (137.0241788)


   
   

S-hydroxy-L-cysteine

S-hydroxy-L-cysteine

C3H7NO3S (137.0146632)


A cysteine derivative consisting of L-cysteine carrying an S-hydroxy-substituent.

   

THIOBENZAMIDE

THIOBENZAMIDE

C7H7NS (137.0299182)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents

   

3-oxopropane-1-sulfonate

3-oxopropane-1-sulfonate

C3H5O4S (136.990855)


An organosulfonate oxoanion that is the conjugate base of 3-oxopropane-1-sulfonic acid, obtained by deprotonation of the sulfo group; major species at pH 7.3.

   

1H-Pyrrolo[2,1-c][1,4]thiazine

1H-Pyrrolo[2,1-c][1,4]thiazine

C7H7NS (137.0299182)


   

S-oxy-L-cysteine

S-oxy-L-cysteine

C3H7NO3S (137.0146632)


A cysteine derivative consiting of L-cysteine carrying an S-oxy-substituent.

   

Urocanate

Urocanate

C6H5N2O2 (137.035101)


An monocarboxylic acid anion that is the conjugate base of urocanic acid.

   

3,4-Dichlorobutane nitrile

NA

C4H5Cl2N (136.979903)


{"Ingredient_id": "HBIN007337","Ingredient_name": "3,4-Dichlorobutane nitrile","Alias": "NA","Ingredient_formula": "C4H5Cl2N","Ingredient_Smile": "C(C#N)C(CCl)Cl","Ingredient_weight": "137.99 g/mol","OB_score": "55.89075805","CAS_id": "NA","SymMap_id": "SMIT13603","TCMID_id": "NA","TCMSP_id": "MOL012877","TCM_ID_id": "NA","PubChem_id": "542761","DrugBank_id": "NA"}

   

(s)-cyano(hydroxy)methylphosphonic acid

(s)-cyano(hydroxy)methylphosphonic acid

C2H4NO4P (136.9877954)


   

cyano(hydroxy)methylphosphonic acid

cyano(hydroxy)methylphosphonic acid

C2H4NO4P (136.9877954)


   

7h-imidazo[4,5-d][1,2,3]triazin-4-ol

7h-imidazo[4,5-d][1,2,3]triazin-4-ol

C4H3N5O (137.0337588)