Exact Mass: 161.0258962

Exact Mass Matches: 161.0258962

Found 68 metabolites which its exact mass value is equals to given mass value 161.0258962, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

N-Formyl-L-aspartate

(2S)-2-[(hydroxymethylidene)amino]butanedioic acid

C5H7NO5 (161.0324212)


This compound belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups KEIO_ID F022

   

Erucin

1-Isothiocyanato-4-(methylsulphanyl)butane

C6H11NS2 (161.0332886)


Occurs in seeds of salad rocket. Erucin is found in many foods, some of which are brassicas, cabbage, kohlrabi, and white cabbage. Erucin is found in brassicas. Erucin occurs in seeds of salad rocket.

   

1-Thiocyanato-4-(methylthio)butane

{[4-(methylsulphanyl)butyl]sulphanyl}carbonitrile

C6H11NS2 (161.0332886)


1-Thiocyanato-4-(methylthio)butane is found in brassicas. 1-Thiocyanato-4-(methylthio)butane is isolated from Eruca sativa (rocket). Isolated from Eruca sativa (rocket). 1-Thiocyanato-4-(methylthio)butane is found in brassicas.

   

A-Ketoglutaric acid oxime

(2E)-2-(hydroxyimino)pentanedioic acid

C5H7NO5 (161.0324212)


A-Ketoglutaric acid oxime, also known as a-ketoglutarate oxime or 2-oxime-(8ci)-2-oxoglutarate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

   

1,4-Benzothiazepine

1,4-Benzothiazepine

C9H7NS (161.0299182)


   

1,5-Benzothiazepine

1,5-Benzothiazepine

C9H7NS (161.0299182)


   

8-Mercaptoquinoline

8-Mercaptoquinoline hydrochloride

C9H7NS (161.0299182)


   

Alanine glyoxylate

2-Oxoacetyl 2-aminopropaneperoxoic acid

C5H7NO5 (161.0324212)


   

Benzothiazepine

1,2-benzothiazepine

C9H7NS (161.0299182)


   

Glycine pyruvate

2-oxopropanoyl 2-aminoethaneperoxoate

C5H7NO5 (161.0324212)


   

N-Oxalyl-L-alanine

2-(carboxyformamido)propanoic acid

C5H7NO5 (161.0324212)


   

serine-glyoxylate

2-amino-3-[(2-oxoacetyl)oxy]propanoic acid

C5H7NO5 (161.0324212)


   

2-oxo-5-methylthiopentanoate

2-(5-Methylsulphanyl)oxopentanoic acid

C6H9O3S (161.02723840000002)


2-oxo-5-methylthiopentanoate, also known as 5-(methylthio)-2-oxopentanoic-acid, is a member of the class of compounds known as thia fatty acids. Thia fatty acids are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain. 2-oxo-5-methylthiopentanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-5-methylthiopentanoate can be found in a number of food items such as wakame, soy bean, sea-buckthornberry, and oil palm, which makes 2-oxo-5-methylthiopentanoate a potential biomarker for the consumption of these food products.

   

5-phenylthiazole

5-phenylthiazole

C9H7NS (161.0299182)


   

2-(carbamothioylhydrazinylidene)propanoic acid

2-(carbamothioylhydrazinylidene)propanoic acid

C4H7N3O2S (161.0258962)


   

A-Ketoglutaric acid oxime

A-Ketoglutaric acid oxime

C5H7NO5 (161.0324212)


   

2-(Hydroxyimino)- pentanedioic acid

2-(Hydroxyimino)- pentanedioic acid

C5H7NO5 (161.0324212)


   

Erucin

1-isothiocyanato-4-(methylsulfanyl)butane

C6H11NS2 (161.0332886)


   

4-(methylthio)Butyl thiocyanate, 9ci

{[4-(methylsulfanyl)butyl]sulfanyl}carbonitrile

C6H11NS2 (161.0332886)


   

2-aminoresorcinol, hydrochloride

2-aminoresorcinol, hydrochloride

C6H8ClNO2 (161.0243538)


   
   
   

3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE

3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONITRILE

C5H2F3N3 (161.0200808)


   

2,5-Pyrrolidinedione,1-(2-chloroethyl)-

2,5-Pyrrolidinedione,1-(2-chloroethyl)-

C6H8ClNO2 (161.0243538)


   

2-(2-thienyl)pyridine

2-(2-thienyl)pyridine

C9H7NS (161.0299182)


   

5-Aminobenzene-1,3-diol hydrochloride

5-Aminobenzene-1,3-diol hydrochloride

C6H8ClNO2 (161.0243538)


   

1-ethenyl-4-isothiocyanatobenzene

1-ethenyl-4-isothiocyanatobenzene

C9H7NS (161.0299182)


   

3-Isopropylthiazolidine-2-thione

3-Isopropylthiazolidine-2-thione

C6H11NS2 (161.0332886)


   

1H-Pyrazole-3-sulfonamide,1-methyl-(9CI)

1H-Pyrazole-3-sulfonamide,1-methyl-(9CI)

C4H7N3O2S (161.0258962)


   

1-methylimidazole-4-sulfonamide

1-methylimidazole-4-sulfonamide

C4H7N3O2S (161.0258962)


   

5-isocyanato-2,1,3-benzoxadiazole

5-isocyanato-2,1,3-benzoxadiazole

C7H3N3O2 (161.0225258)


   

6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate

6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate

C4H7N3O2S (161.0258962)


   

5-PHENYLISOTHIAZOLE

5-PHENYLISOTHIAZOLE

C9H7NS (161.0299182)


   

1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE

1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE

C6H11NS2 (161.0332886)


   

2(1H)-Quinolinethione

2(1H)-Quinolinethione

C9H7NS (161.0299182)


   

2-(3-THIENYL)PYRIDINE

2-(3-THIENYL)PYRIDINE

C9H7NS (161.0299182)


   

Dimethyl 2-(hydroxyimino)malonate

Propanedioic acid,2-(hydroxyimino)-, 1,3-dimethyl ester

C5H7NO5 (161.0324212)


   

2,4,6-Trimethyl-4H-1,3,5-dithiazine

2,4,6-Trimethyl-4H-1,3,5-dithiazine

C6H11NS2 (161.0332886)


   

(4R)-4-Isopropyl-1,3-thiazolidine-2-thione

(4R)-4-Isopropyl-1,3-thiazolidine-2-thione

C6H11NS2 (161.0332886)


   

Pyrocatechol, 4-amino-, hydrochloride

Pyrocatechol, 4-amino-, hydrochloride

C6H8ClNO2 (161.0243538)


   

1-(2-Chloro-acetyl)-pyrrolidin-2-one

1-(2-Chloro-acetyl)-pyrrolidin-2-one

C6H8ClNO2 (161.0243538)


   

5-Thiazoleethanol,2-fluoro-4-methyl-

5-Thiazoleethanol,2-fluoro-4-methyl-

C6H8FNOS (161.031061)


   

4-phenyl-1,3-thiazole

4-phenyl-1,3-thiazole

C9H7NS (161.0299182)


   

2,3-dihydrothiazole-2-carbonyl chloride

2,3-dihydrothiazole-2-carbonyl chloride

C6H11NS2 (161.0332886)


   

4-Aminoresorcinol hydrochloride

4-Aminoresorcinol hydrochloride

C6H8ClNO2 (161.0243538)


   

4-mercaptoquinoline

4-mercaptoquinoline

C9H7NS (161.0299182)


   

3-(3-THIENYL)PYRIDINE

3-(3-THIENYL)PYRIDINE

C9H7NS (161.0299182)


   

2-PHENYLTHIAZOLE

2-PHENYLTHIAZOLE

C9H7NS (161.0299182)


   

4-(Hydroxymethyl)pyridin-3-ol hydrochloride

4-(Hydroxymethyl)pyridin-3-ol hydrochloride

C6H8ClNO2 (161.0243538)


   

(S)-4-Isopropyl-1,3-thiazolidine-2-thione

(S)-4-Isopropyl-1,3-thiazolidine-2-thione

C6H11NS2 (161.0332886)


   

3-(2-thienyl)pyridine

3-(2-thienyl)pyridine

C9H7NS (161.0299182)


   

N,N-dimethyl-1-prop-2-enylsulfanyl-methanethioamide

N,N-dimethyl-1-prop-2-enylsulfanyl-methanethioamide

C6H11NS2 (161.0332886)


   

2-Pyridinemethanol, 3-hydroxy-, hydrochloride

2-Pyridinemethanol, 3-hydroxy-, hydrochloride

C6H8ClNO2 (161.0243538)


   

(2S)-2-amino-4-hydroxypentanedioate

(2S)-2-amino-4-hydroxypentanedioate

C5H7NO5-2 (161.0324212)


   

1-Hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate

1-Hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate

C6H9O3S- (161.02723840000002)


   
   

2-Amino-4-oxopentanedioic acid

2-Amino-4-oxopentanedioic acid

C5H7NO5 (161.0324212)


   

2-Amino-3-oxaldehydoyloxypropanoic acid

2-Amino-3-oxaldehydoyloxypropanoic acid

C5H7NO5 (161.0324212)


   

4-Hydroxycoumarin(1-)

4-Hydroxycoumarin(1-)

C9H5O3- (161.023868)


   

(2S)-2-amino-3-hydroxypentanedioate

(2S)-2-amino-3-hydroxypentanedioate

C5H7NO5-2 (161.0324212)


   

For-Asp-OH

N-Formyl-L-aspartic acid

C5H7NO5 (161.0324212)


A N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid.

   

4-(Methylthio)butyl thiocyanate

4-(Methylthio)butyl thiocyanate

C6H11NS2 (161.0332886)


   

4-hydroxy-L-glutamate(2-)

4-hydroxy-L-glutamate(2-)

C5H7NO5 (161.0324212)


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 4-hydroxy-L-glutamic acid.

   

3-hydroxy-L-glutamate(2-)

3-hydroxy-L-glutamate(2-)

C5H7NO5 (161.0324212)


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 3-hydroxy-L-glutamic acid.

   
   

N-Formyl-aspartic acid

N-Formyl-aspartic acid

C5H7NO5 (161.0324212)


   

4-phenyl-isothiazole

NA

C9H7NS (161.0299182)


{"Ingredient_id": "HBIN010818","Ingredient_name": "4-phenyl-isothiazole","Alias": "NA","Ingredient_formula": "C9H7NS","Ingredient_Smile": "C1=CC=C(C=C1)C2=CSN=C2","Ingredient_weight": "161.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7751","PubChem_id": "136748","DrugBank_id": "NA"}

   

3,4,4-trimethyl-1,2,3-dithiazine

3,4,4-trimethyl-1,2,3-dithiazine

C6H11NS2 (161.0332886)