Exact Mass: 168.9951

Exact Mass Matches: 168.9951

Found 53 metabolites which its exact mass value is equals to given mass value 168.9951, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Chlorzoxazone

5-chloro-2,3-dihydro-1,3-benzoxazol-2-one

C7H4ClNO2 (168.9931)


A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202) M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BB - Oxazol, thiazine, and triazine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents COVID info from PDB, Protein Data Bank Corona-virus KEIO_ID C042 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Cysteic acid

2-Amino-3-sulfopropionic acid

C3H7NO5S (169.0045)


Cysteic acid is a crystalline amino acid formed in the oxidation of cysteine; it is a precursor of taurine. A crystalline amino acid formed in the oxidation of cysteine; it is a precursor of taurine. [HMDB]

   

6-Chloro-2-benzoxazolinone

6-chloro-1,3-benzoxazol-2-ol

C7H4ClNO2 (168.9931)


   

5-Chlorobenzo[d]isoxazol-3-ol

5-chloro-2,3-dihydro-1,2-benzoxazol-3-one

C7H4ClNO2 (168.9931)


   

L-Cysteic acid

(2R)-2-Amino-3-sulphopropanoic acid

C3H7NO5S (169.0045)


Cysteinesulfonic acid, also known as (2r)-2-amino-3-sulfopropanoic acid or 3-sulfoalanine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cysteinesulfonic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Cysteinesulfonic acid can be found in a number of food items such as roman camomile, pili nut, chicory, and garden tomato, which makes cysteinesulfonic acid a potential biomarker for the consumption of these food products.

   

L-Cysteic acid

L-Cysteic acid

C3H7NO5S (169.0045)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.051

   

Cysteic Acid

dl-cysteic acid

C3H7NO5S (169.0045)


An amino sulfonic acid that is the sulfonic acid analogue of cysteine.

   

chlorzoxazone

chlorzoxazone

C7H4ClNO2 (168.9931)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BB - Oxazol, thiazine, and triazine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

6-Chlorooxazone

6-Chloro-2,3-dihydrobenzoxazol-2-one

C7H4ClNO2 (168.9931)


CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4101; ORIGINAL_PRECURSOR_SCAN_NO 4099 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4099; ORIGINAL_PRECURSOR_SCAN_NO 4094 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4115; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4108; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4184; ORIGINAL_PRECURSOR_SCAN_NO 4181 CONFIDENCE standard compound; INTERNAL_ID 259; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4102; ORIGINAL_PRECURSOR_SCAN_NO 4099

   
   

1H-Imidazole-4-carbonyl chloride, 5-cyano-1-methyl- (9CI)

1H-Imidazole-4-carbonyl chloride, 5-cyano-1-methyl- (9CI)

C6H4ClN3O (169.0043)


   

5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione

C3H2F3N3S (168.9922)


   

6-Chlorobenzo[D]Isoxazol-3-Ol

6-Chlorobenzo[D]Isoxazol-3-Ol

C7H4ClNO2 (168.9931)


   

2-chloro-2,3,3-trifluorocyclobutane-1-carbonitrile

2-chloro-2,3,3-trifluorocyclobutane-1-carbonitrile

C5H3ClF3N (168.9906)


   

2-Amino-5-Trifluoromethyl-1,3,4-Thiadiazole

2-Amino-5-Trifluoromethyl-1,3,4-Thiadiazole

C3H2F3N3S (168.9922)


   

6-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C6H4ClN3O (169.0043)


   

n,n-bis(trifluoromethyl)hydroxylamine

n,n-bis(trifluoromethyl)hydroxylamine

C2HF6NO (168.9962)


   

Sodium 1-pyrrolidinecarbodithioate

Sodium 1-pyrrolidinecarbodithioate

C5H8NNaS2 (168.9996)


   

2-chloro-1,3-benzoxazol-6-ol

2-chloro-1,3-benzoxazol-6-ol

C7H4ClNO2 (168.9931)


   

5-Fluorobenzo[d]thiazol-2(3H)-one

5-Fluorobenzo[d]thiazol-2(3H)-one

C7H4FNOS (168.9998)


   

5-Fluorobenzo[d]oxazole-2-thiol

5-Fluorobenzo[d]oxazole-2-thiol

C7H4FNOS (168.9998)


   

7-CHLOROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE

7-CHLOROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE

C6H4ClN3O (169.0043)


   

6-FLUORO-2(3H)-BENZOTHIAZOLONE

6-FLUORO-2(3H)-BENZOTHIAZOLONE

C7H4FNOS (168.9998)


   

4-Fluoro-2(3H)-benzothiazolone

4-Fluoro-2(3H)-benzothiazolone

C7H4FNOS (168.9998)


   

Pentafluoropyridine

Pentafluoropyridine

C5F5N (168.9951)


   

Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

C5H3N3O2S (168.9946)


   

7-Chlorobenzo[d]isoxazol-3(2H)-one

7-Chlorobenzo[d]isoxazol-3(2H)-one

C7H4ClNO2 (168.9931)


   

6-Fluoro-benzooxazole-2-thiol

6-Fluoro-benzooxazole-2-thiol

C7H4FNOS (168.9998)


   

6-chloro-1-hydroxybenzotriazole

6-chloro-1-hydroxybenzotriazole

C6H4ClN3O (169.0043)


   

dichloroborane-dioxane complex 3m solu&

dichloroborane-dioxane complex 3m solu&

C4H8BCl2O2 (168.9994)


   

5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one

5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one

C6H4ClN3O (169.0043)


   

1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YLAMINE HYDROCHLORIDE

1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YLAMINE HYDROCHLORIDE

C4H8ClNO2S (168.9964)


   

6-CHLORO-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE

6-CHLORO-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE

C6H4ClN3O (169.0043)


   

Thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione

Thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione

C5H3N3O2S (168.9946)


   

4-Chloro-3H-imidazo[4,5-c]pyridin-2-ol

4-Chloro-3H-imidazo[4,5-c]pyridin-2-ol

C6H4ClN3O (169.0043)


   

5-MERCAPTO-6-AZAURACIL SODIUM SALT

5-MERCAPTO-6-AZAURACIL SODIUM SALT

C3H4N3NaO2S (168.9922)


   

6-Fluoro-1,2-benzoisothiazol-3(2H)-one

6-Fluoro-1,2-benzoisothiazol-3(2H)-one

C7H4FNOS (168.9998)


   

6-Chloro-2-hydroxyimidazo[1,2-b]pyridazine

6-Chloro-2-hydroxyimidazo[1,2-b]pyridazine

C6H4ClN3O (169.0043)


   

2-BENZOTHIAZOLINETHIOL

2-BENZOTHIAZOLINETHIOL

C7H7NS2 (169.002)


   

6-chlorofuro[3,4-c]pyridin-3(1H)-one

6-chlorofuro[3,4-c]pyridin-3(1H)-one

C7H4ClNO2 (168.9931)


   

Imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

Imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

C5H3N3O2S (168.9946)


   

1-Pyrrolidinesulfonyl chloride

1-Pyrrolidinesulfonyl chloride

C4H8ClNO2S (168.9964)


   

2-Chloro-4-methoxy-5-pyrimidinecarbonitrile

2-Chloro-4-methoxy-5-pyrimidinecarbonitrile

C6H4ClN3O (169.0043)


   

7-chlorobenzo[c][1,2,5]oxadiazol-4-amine

7-chlorobenzo[c][1,2,5]oxadiazol-4-amine

C6H4ClN3O (169.0043)


   

2-CHLORO-5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE

2-CHLORO-5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE

C6H4ClN3O (169.0043)


   

4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

C6H4ClN3O (169.0043)


   

7-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one

7-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one

C6H4ClN3O (169.0043)


   

8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

C6H4ClN3O (169.0043)


   

Chlorzoxazone-d3

Chlorzoxazone-d3

C7H4ClNO2 (168.9931)


   

2-chloro-1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-chloro-1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C6H4ClN3O (169.0043)


   

4-Chloro-1,2-benzoxazol-3(2H)-one

4-Chloro-1,2-benzoxazol-3(2H)-one

C7H4ClNO2 (168.9931)


   

7-Chloro-Imidazo[1,2-C]Pyrimidin-5-Ol

7-Chloro-Imidazo[1,2-C]Pyrimidin-5-Ol

C6H4ClN3O (169.0043)


   

furoic acid

L-Cysteic acid

C3H7NO5S (169.0045)


The L-enantiomer of cysteic acid.