Exact Mass: 168.9561

Exact Mass Matches: 168.9561

Found 99 metabolites which its exact mass value is equals to given mass value 168.9561, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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]

   

Selenocysteine

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

C3H7NO2Se (168.9642)


Selenocysteine is an amino acid that is present in several enzymes (for example glutathione peroxidases, tetraiodothyronine 5 deiodinases, thioredoxin reductases, formate dehydrogenases, glycine reductases and some hydrogenases). Selenocysteine has a structure similar to cysteine, but with an atom of selenium taking the place of the usual sulfur. Proteins that include a selenocysteine residue are called selenoproteins (Wikipedia). Selenocysteine is a naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid (Pubchem). Formed by seleniferous plants, e.g. onion, cabbage

   

2-Aminoethylarsonate

2-Aminoethylarsonic acid

C2H8AsNO3 (168.972)


   

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)


   

Thulium

Thulium

Tm (168.9342)


Thulium, also known as 69tm or tulio, is a member of the class of compounds known as homogeneous lanthanide compounds. Homogeneous lanthanide compounds are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Thulium is a chemical element with symbol Tm and atomic number 69. It is the thirteenth and third-last element in the lanthanide series. Like the other lanthanides, the most common oxidation state is +3, seen in its oxide, halides and other compounds; because it occurs so late in the series, however, the +2 oxidation state is also stabilized by the nearly full 4f shell that results. In aqueous solution, like compounds of other late lanthanides, soluble thulium compounds form coordination complexes with nine water molecules . Thulium, also known as 69tm or tulio, is a member of the class of compounds known as homogeneous lanthanide compounds. Homogeneous lanthanide compounds are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Thulium is a chemical element with symbol Tm and atomic number 69. It is the thirteenth and third-last element in the lanthanide series. Like the other lanthanides, the most common oxidation state is +3, seen in its oxide, halides and other compounds; because it occurs so late in the series, however, the +2 oxidation state is also stabilized by the nearly full 4f shell that results. In aqueous solution, like compounds of other late lanthanides, soluble thulium compounds form coordination complexes with nine water molecules.

   

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.

   

7-Chlorothieno[2,3-c]pyridine

7-chloro-thieno[2,3-c]pyridine

C7H4ClNS (168.9753)


   

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)


   

N-Methyl bromofluoroacetamide

N-Methyl bromofluoroacetamide

C3H5BrFNO (168.9539)


   

6-Chlorobenzo[D]Isoxazol-3-Ol

6-Chlorobenzo[D]Isoxazol-3-Ol

C7H4ClNO2 (168.9931)


   

7-Chlorothieno[3,2-b]pyridine

7-Chlorothieno[3,2-b]pyridine

C7H4ClNS (168.9753)


   

2-bromomethyl-pyridine

2-bromomethyl-pyridine

C6H4BrN (168.9527)


   

2-Chlorothieno[2,3-c]pyridine

2-Chlorothieno[2,3-c]pyridine

C7H4ClNS (168.9753)


   

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)


   

6-Chlorothieno[2,3-b]pyridine

6-Chlorothieno[2,3-b]pyridine

C7H4ClNS (168.9753)


   

4,5-dichloro-1,2-thiazol-3-one

4,5-dichloro-1,2-thiazol-3-one

C3HCl2NOS (168.9156)


   

4-(Chloromethyl)-1,3-thiazole hydrochloride (1:1)

4-(Chloromethyl)-1,3-thiazole hydrochloride (1:1)

C4H5Cl2NS (168.952)


   

3-Chlor-1,2-benzisothiazol

3-Chlor-1,2-benzisothiazol

C7H4ClNS (168.9753)


   

n,n-bis(trifluoromethyl)hydroxylamine

n,n-bis(trifluoromethyl)hydroxylamine

C2HF6NO (168.9962)


   

6-Chloro-1,3-benzothiazole

6-Chloro-1,3-benzothiazole

C7H4ClNS (168.9753)


   

Seleno-L-cysteine

Seleno-L-cysteine

C3H7NO2Se (168.9642)


   

Sodium 1-pyrrolidinecarbodithioate

Sodium 1-pyrrolidinecarbodithioate

C5H8NNaS2 (168.9996)


   

2-Chloro-6-mercapto benzonitrile

2-Chloro-6-mercapto benzonitrile

C7H4ClNS (168.9753)


   

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)


   

cobalt(ii) fluoride tetrahydrate

cobalt(ii) fluoride tetrahydrate

H8CoF2O4 (168.9723)


   

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)


   

4-Chlorothieno[3,2-c]pyridine

4-Chlorothieno[3,2-c]pyridine

C7H4ClNS (168.9753)


   

dichloroborane-dioxane complex 3m solu&

dichloroborane-dioxane complex 3m solu&

C4H8BCl2O2 (168.9994)


   

THIETAN-3-YLAMINE HYDROBROMIDE

THIETAN-3-YLAMINE HYDROBROMIDE

C3H8BrNS (168.9561)


   

1,4-DIHYDRO-2H-THIENO[3,2-D][1,3]OXAZINE-2,4-DIONE

1,4-DIHYDRO-2H-THIENO[3,2-D][1,3]OXAZINE-2,4-DIONE

C6H3NO3S (168.9834)


   

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)


   

Benzothiazole, 7-chloro- (7CI,8CI)

Benzothiazole, 7-chloro- (7CI,8CI)

C7H4ClNS (168.9753)


   

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)


   

5-CHLOROBENZO[D]THIAZOLE

5-CHLOROBENZO[D]THIAZOLE

C7H4ClNS (168.9753)


   

Potassium [(cyanomethyl)thio]acetate

Potassium [(cyanomethyl)thio]acetate

C4H4KNO2S (168.96)


   

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

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

C5H3N3O2S (168.9946)


   

4-Chlorothieno[2,3-b]pyridine

4-Chlorothieno[2,3-b]pyridine

C7H4ClNS (168.9753)


   

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)


   

3-Chlorobenzo[c]isothiazole

3-Chlorobenzo[c]isothiazole

C7H4ClNS (168.9753)


   

5-Chlorobenzo[c]isothiazole

5-Chlorobenzo[c]isothiazole

C7H4ClNS (168.9753)


   

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)


   

3-chloro-4-sulfanylbenzonitrile

3-chloro-4-sulfanylbenzonitrile

C7H4ClNS (168.9753)


   

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-Chlorobenzothiazole

2-Chlorobenzothiazole

C7H4ClNS (168.9753)


   

4-chlorophenyl isothiocyanate

4-chlorophenyl isothiocyanate

C7H4ClNS (168.9753)


   

2-chlorophenyl isothiocyanate

2-chlorophenyl isothiocyanate

C7H4ClNS (168.9753)


   

3-chlorophenyl isothiocyanate

3-chlorophenyl isothiocyanate

C7H4ClNS (168.9753)


   

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-Chlorobenzothiazole

4-Chlorobenzothiazole

C7H4ClNS (168.9753)


   

methyl-d3-magnesium iodide

methyl-d3-magnesium iodide

CD3IMg (168.9318)


   

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

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

C7H4ClNO2 (168.9931)


   

hydride,thulium(3+)

hydride,thulium(3+)

Tm (168.9342)


   

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

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

C6H4ClN3O (169.0043)


   

2-(4-Chlorophenyl)acetate

2-(4-Chlorophenyl)acetate

C8H6ClO2- (169.0056)


   

[2-(Hydroxyamino)-2-oxoethyl] phosphate

[2-(Hydroxyamino)-2-oxoethyl] phosphate

C2H4NO6P-2 (168.9776)


   

1-Carboxy-2-selanylethanaminium

1-Carboxy-2-selanylethanaminium

C3H7NO2Se+ (168.9642)


   

(1S)-1-carboxy-2-selanylethanaminium

(1S)-1-carboxy-2-selanylethanaminium

C3H7NO2Se+ (168.9642)


   

(1R)-1-carboxy-2-selanylethanaminium

(1R)-1-carboxy-2-selanylethanaminium

C3H7NO2Se+ (168.9642)


   

furoic acid

L-Cysteic acid

C3H7NO5S (169.0045)


The L-enantiomer of cysteic acid.

   

2-Aminoethylarsonic acid

2-Aminoethylarsonic acid

C2H8AsNO3 (168.972)


   

selenocysteine

selenocysteine

C3H7NO2Se (168.9642)


An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group.

   

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.

   

Thulium

Thulium

Tm (168.9342)


   

D-selenocysteine

D-selenocysteine

C3H7NO2Se (168.9642)


   

L-selenocysteine zwitterion

L-selenocysteine zwitterion

C3H7NO2Se (168.9642)


Zwitterionic form of L-selenocysteine having a anionic carboxy group and a cationic amino group; major species at pH 7.3.

   

L-Selenocysteine

L-Selenocysteine

C3H7NO2Se (168.9642)


The L-enantiomer of selenocysteine.

   

Aminoethylarsonic acid

Aminoethylarsonic acid

C2H8AsNO3 (168.972)