Exact Mass: 168.9996

Exact Mass Matches: 168.9996

Found 78 metabolites which its exact mass value is equals to given mass value 168.9996, 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

   

Cysteate

Cysteate

C3H7NO5S (169.0045)


   

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-4-fluorophenylacetonitrile

2-Chloro-4-fluorophenylacetonitrile

C8H5ClFN (169.0095)


   

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)


   

2-Chloro-5-fluorophenylacetonitrile

2-Chloro-5-fluorophenylacetonitrile

C8H5ClFN (169.0095)


   

6-Chloro-5-fluoro-1H-indole

6-Chloro-5-fluoro-1H-indole

C8H5ClFN (169.0095)


   

5-Chloro-4-fluoro-1H-indole

5-Chloro-4-fluoro-1H-indole

C8H5ClFN (169.0095)


   

4-CHLORO-2-FLUOROBENZYLISOCYANIDE

4-CHLORO-2-FLUOROBENZYLISOCYANIDE

C8H5ClFN (169.0095)


   

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)


   

4-(Chloromethyl)-3-fluorobenzonitrile

4-(Chloromethyl)-3-fluorobenzonitrile

C8H5ClFN (169.0095)


   

4-Chloro-6-fluoro-1H-indole

4-Chloro-6-fluoro-1H-indole

C8H5ClFN (169.0095)


   

6-Chloro-4-fluoro-1H-indole

6-Chloro-4-fluoro-1H-indole

C8H5ClFN (169.0095)


   

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)


   

2-CHLORO-6-FLUORO-3-METHYLBENZONITRILE

2-CHLORO-6-FLUORO-3-METHYLBENZONITRILE

C8H5ClFN (169.0095)


   

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)


   

(4-Chloro-3-fluorophenyl)acetonitrile

(4-Chloro-3-fluorophenyl)acetonitrile

C8H5ClFN (169.0095)


   

4-Chloro-2-fluorobenzyl cyanide

4-Chloro-2-fluorophenylacetonitrile

C8H5ClFN (169.0095)


   

(3-Chloro-5-fluorophenyl)acetonitrile

(3-Chloro-5-fluorophenyl)acetonitrile

C8H5ClFN (169.0095)


   

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

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

C5H3N3O2S (168.9946)


   

3-Chloro-2-fluorobenzyl cyanide

3-Chloro-2-fluorobenzyl cyanide

C8H5ClFN (169.0095)


   

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)


   

2-Chloro-6-fluorophenylacetonitrile

2-Chloro-6-fluorophenylacetonitrile

C8H5ClFN (169.0095)


   

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)


   

5-Chloro-2-fluorophenylacetonitrile

5-Chloro-2-fluorophenylacetonitrile

C8H5ClFN (169.0095)


   

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)


   

4-Chloro-5-fluoro-1H-indole

4-Chloro-5-fluoro-1H-indole

C8H5ClFN (169.0095)


   

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-Chlor-4-fluor-3-methylbenzonitril

2-Chlor-4-fluor-3-methylbenzonitril

C8H5ClFN (169.0095)


   

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)


   

6-chloro-2-fluoro-3-methylbenzonitrile

6-chloro-2-fluoro-3-methylbenzonitrile

C8H5ClFN (169.0095)


   

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)


   

2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane

2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane

C3HDF6O (169.0073)


   

3-Chloro-4-fluorobenzyl cyanide

3-Chloro-4-fluorobenzyl cyanide

C8H5ClFN (169.0095)


   

5-Chloro-6-fluoro-1H-indole

5-Chloro-6-fluoro-1H-indole

C8H5ClFN (169.0095)


   

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)


   

Diethylthiophosphate

Diethylthiophosphate

C4H10O3PS- (169.0088)


   

2-(4-Chlorophenyl)acetate

2-(4-Chlorophenyl)acetate

C8H6ClO2- (169.0056)


   

furoic acid

L-Cysteic acid

C3H7NO5S (169.0045)


The L-enantiomer of cysteic acid.

   

O,O-Diethyl thiophosphate

O,O-Diethyl thiophosphate

C4H10O3PS (169.0088)


An organic phosphorothioate anion that is the conjugate base of O,O-diethyl hydrogen thiophosphate, resulting from the deprotonation of the thiophosphate group. Major species at pH 7.3.

   

4-Chlorophenylacetate

4-Chlorophenylacetate

C8H6ClO2 (169.0056)


A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 4-chlorophenylacetic acid.