Exact Mass: 172.9646536

Exact Mass Matches: 172.9646536

Found 171 metabolites which its exact mass value is equals to given mass value 172.9646536, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Chloro-4-nitrophenol

2-Chloro-4-nitrophenol

C6H4ClNO3 (172.9879704)


   

2-chloro-trans-dienelactone

trans-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide anion

C6H2ClO4 (172.9641622)


2-chloro-trans-dienelactone, also known as cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide, is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-chloro-trans-dienelactone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-chloro-trans-dienelactone can be found in a number of food items such as giant butterbur, soy bean, common persimmon, and salmonberry, which makes 2-chloro-trans-dienelactone a potential biomarker for the consumption of these food products.

   

Methyl 2-pyridinesulfinothioate

Methyl 2-pyridinesulfinothioate

C6H7NOS2 (172.99690520000001)


   

5-(methylsulfanyl)thiophene-2-carboxamide

5-(methylsulfanyl)thiophene-2-carboxamide

C6H7NOS2 (172.99690520000001)


   

2-[(Methylthio)sulfinyl]pyridine

2-[(Methylthio)sulfinyl]pyridine

C6H7NOS2 (172.99690520000001)


   

1H-Imidazole-1-sulfonyl azide

1H-Imidazole-1-sulfonyl azide

C3H3N5O2S (173.0007458)


   

2-Chloro-6-nitrophenol

2-Chloro-6-nitrophenol

C6H4ClNO3 (172.9879704)


   
   
   

5-Nitro-3-thiophenecarboxylic acid

5-Nitro-3-thiophenecarboxylic acid

C5H3NO4S (172.9782798)


   
   

2-Thiophenecarboxylicacid, 4-nitro-

2-Thiophenecarboxylicacid, 4-nitro-

C5H3NO4S (172.9782798)


   

2-Amino-3-chloro-5-nitropyridine

2-Amino-3-chloro-5-nitropyridine

C5H4ClN3O2 (172.9992034)


   

[1-(Bromomethyl)cyclopropyl]acetonitrile

[1-(Bromomethyl)cyclopropyl]acetonitrile

C6H8BrN (172.9840068)


   
   
   

2-Chloro-5-nitrophenol

2-Chloro-5-nitrophenol

C6H4ClNO3 (172.9879704)


   
   

5-BroMo-1H-Pyrrole-3-carboxaldehyde

5-BroMo-1H-Pyrrole-3-carboxaldehyde

C5H4BrNO (172.94762339999997)


   

2-Chloro-3-nitropyridin-4-amine

2-Chloro-3-nitropyridin-4-amine

C5H4ClN3O2 (172.9992034)


   

2-Chloro-5-nitropyridin-4-amine

2-Chloro-5-nitropyridin-4-amine

C5H4ClN3O2 (172.9992034)


   

1-(2-Chloro-5-fluoro-3-pyridinyl)ethanone

1-(2-Chloro-5-fluoro-3-pyridinyl)ethanone

C7H5ClFNO (173.00436820000002)


   

3-Chloro-2,4-difluorobenzonitrile

3-Chloro-2,4-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

3-Chloro-5-nitrophenol

3-Chloro-5-nitrophenol

C6H4ClNO3 (172.9879704)


   

3-Chloro-4-nitrophenol

3-Chloro-4-nitrophenol

C6H4ClNO3 (172.9879704)


   
   
   

4-Chloro-2,6-difluorobenzonitrile

4-Chloro-2,6-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

2-Amino-5-chloro-3-nitropyridine

2-Amino-5-chloro-3-nitropyridine

C5H4ClN3O2 (172.9992034)


   

6-Chloro-3-nitropyridin-2-amine

6-Chloro-3-nitropyridin-2-amine

C5H4ClN3O2 (172.9992034)


   

6-Amino-5-chloro-4-pyrimidinecarboxylic acid

6-Amino-5-chloro-4-pyrimidinecarboxylic acid

C5H4ClN3O2 (172.9992034)


   

ISOTHIAZOLE-4,5-DICARBOXYLIC ACID

ISOTHIAZOLE-4,5-DICARBOXYLIC ACID

C5H3NO4S (172.9782798)


   

2-Chloro-4-methyl-5-nitropyrimidine

2-Chloro-4-methyl-5-nitropyrimidine

C5H4ClN3O2 (172.9992034)


   

2-Chloro-5-hydroxynicotinic acid

2-Chloro-5-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   
   

4-Chloro-3-nitropyridin-2-amine

4-Chloro-3-nitropyridin-2-amine

C5H4ClN3O2 (172.9992034)


   

3-Chloro-2,6-difluorobenzonitrile

3-Chloro-2,6-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

5-Nitrothiophene-2-carboxylic acid

5-Nitrothiophene-2-carboxylic acid

C5H3NO4S (172.9782798)


   

2-Amino-6-chloro-3-nitropyridine

2-Amino-6-chloro-3-nitropyridine

C5H4ClN3O2 (172.9992034)


   

1-(2,3-dihydro-4-methyl-2-thioxothiazol-5-yl)ethan-1-one

1-(2,3-dihydro-4-methyl-2-thioxothiazol-5-yl)ethan-1-one

C6H7NOS2 (172.99690520000001)


   

N-(3-FLUORO-2-CHLORO-PHENYL)-FORMAMIDE

N-(3-FLUORO-2-CHLORO-PHENYL)-FORMAMIDE

C7H5ClFNO (173.00436820000002)


   

1,2-benzisothiazol-3(2H)-one, sodium salt

1,2-benzisothiazol-3(2H)-one, sodium salt

C7H4NNaOS (172.99112939999998)


   

d,l-3-chloroalanine methyl ester hydrochloride

d,l-3-chloroalanine methyl ester hydrochloride

C4H9Cl2NO2 (173.00103140000002)


   
   

2,3,4-trifluorophenyl isocyanate

2,3,4-trifluorophenyl isocyanate

C7H2F3NO (173.00884779999998)


   

5-Chloro-6-hydroxynicotinic acid

5-Chloro-6-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   

4-Amino-2-chloro-5-pyrimidinecarboxylic acid

4-Amino-2-chloro-5-pyrimidinecarboxylic acid

C5H4ClN3O2 (172.9992034)


   
   
   

2-Chloro-5-hydroxyisonicotinic acid

2-Chloro-5-hydroxyisonicotinic acid

C6H4ClNO3 (172.9879704)


   
   
   

terbium nitride

terbium nitride

NTb (172.928424)


   

3-Amino-6-chloropyrazine-2-carboxylicacid

3-Amino-6-chloropyrazine-2-carboxylicacid

C5H4ClN3O2 (172.9992034)


   
   

1-(2-BROMOETHYL)-1H-PYRROLE

1-(2-BROMOETHYL)-1H-PYRROLE

C6H8BrN (172.9840068)


   

2-chloro-4,5,6,7-tetrahydrobenzo[d]thiazole

2-chloro-4,5,6,7-tetrahydrobenzo[d]thiazole

C7H8ClNS (173.00659579999999)


   
   

2-chloro-3-hydroxyisonicotinic acid

2-chloro-3-hydroxyisonicotinic acid

C6H4ClNO3 (172.9879704)


   

(2-TRIFLUOROMETHYL-1,3DIOXOLAN-2-YL)-ACETICACID

(2-TRIFLUOROMETHYL-1,3DIOXOLAN-2-YL)-ACETICACID

C5H3NO4S (172.9782798)


   

4-Chloro-2-hydroxynicotinic acid

4-Chloro-2-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   

4-Chloro-6-hydroxynicotinic acid

4-Chloro-6-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   

3-chloro-4-methylsulfanylaniline

3-chloro-4-methylsulfanylaniline

C7H8ClNS (173.00659579999999)


   

3-Chloro-2-nitrophenol

3-Chloro-2-nitrophenol

C6H4ClNO3 (172.9879704)


   
   

cobalt tricarbonyl nitrosyl

cobalt tricarbonyl nitrosyl

C3CoNO4 (172.915932)


   
   
   

6-Chloro-5-nitropyridin-2-amine

6-Chloro-5-nitropyridin-2-amine

C5H4ClN3O2 (172.9992034)


   
   

beta-chloro-d-alanine hydrochloride

beta-chloro-d-alanine hydrochloride

C4H9Cl2NO2 (173.00103140000002)


   

1-Iodo(3,3,3-2H3)propane

1-Iodo(3,3,3-2H3)propane

C3H4D3I (172.978080734)


   
   

6-Chloro-2-hydroxynicotinic acid

6-Chloro-2-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   
   

N-Methylmethanaminium iodide

N-Methylmethanaminium iodide

C2H8IN (172.9701478)


   
   

2-nitro-4-chlorophenol

2-nitro-4-chlorophenol

C6H4ClNO3 (172.9879704)


   

5-Chloro-2-hydroxynicotinic acid

5-Chloro-2-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   

4-Chloro-6-hydroxypyridine-2-carboxylic acid

4-Chloro-6-hydroxypyridine-2-carboxylic acid

C6H4ClNO3 (172.9879704)


   

5-Chloro-2,4-difluorobenzonitrile

5-Chloro-2,4-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

6-Chloro-3-hydroxy-2-pyrazinecarboxamide

6-Chloro-3-hydroxy-2-pyrazinecarboxamide

C5H4ClN3O2 (172.9992034)


   
   

6-Chloronicotinic acid 1-oxide

6-Chloronicotinic acid 1-oxide

C6H4ClNO3 (172.9879704)


   

2,4-Difluorobenzene-1-carbothioamide

2,4-Difluorobenzene-1-carbothioamide

C7H5F2NS (173.0110754)


   
   

5-prop-2-enylsulfanyl-1,2,4-thiadiazol-3-amine

5-prop-2-enylsulfanyl-1,2,4-thiadiazol-3-amine

C5H7N3S2 (173.0081382)


   
   

2,4,6-Trifluorophenyl isocyanate

2,4,6-Trifluorophenyl isocyanate

C7H2F3NO (173.00884779999998)


   
   

3,6-Dichloropyridazine-4-carbonitrile

3,6-Dichloropyridazine-4-carbonitrile

C5HCl2N3 (172.9547526)


   

2,6-Dichloropyrimidine-4-carbonitrile

2,6-Dichloropyrimidine-4-carbonitrile

C5HCl2N3 (172.9547526)


   

4-Bromo-1H-pyrrole-2-carbaldehyde

4-Bromo-1H-pyrrole-2-carbaldehyde

C5H4BrNO (172.94762339999997)


   

2-Chloro-3,4-difluorobenzonitrile

2-Chloro-3,4-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

2-Chloro-6-hydroxynicotinic acid

2-Chloro-6-hydroxynicotinic acid

C6H4ClNO3 (172.9879704)


   

4-Chloro-2-methyl-5-nitropyrimidine

4-Chloro-2-methyl-5-nitropyrimidine

C5H4ClN3O2 (172.9992034)


   

3-Amino-5-chloro-2-pyrazinecarboxylic acid

3-Amino-5-chloro-2-pyrazinecarboxylic acid

C5H4ClN3O2 (172.9992034)


   

3-Chloro-6-oxo-1,6-dihydro-pyridine-2-carboxylicacid

3-Chloro-6-oxo-1,6-dihydro-pyridine-2-carboxylicacid

C6H4ClNO3 (172.9879704)


   

3,5-DIFLUOROTHIOBENZAMIDE

3,5-DIFLUOROTHIOBENZAMIDE

C7H5F2NS (173.0110754)


   
   
   

3,6-Dichloro-2-pyrazinecarbonitrile

3,6-Dichloro-2-pyrazinecarbonitrile

C5HCl2N3 (172.9547526)


   

4-Chloro-5-nitro-2-pyridinamine

4-Chloro-5-nitro-2-pyridinamine

C5H4ClN3O2 (172.9992034)


   

3,5-Dichloropyrazine-2-carbonitrile

3,5-Dichloropyrazine-2-carbonitrile

C5HCl2N3 (172.9547526)


   

2,4-Dichloro-5-cyanopyrimidine

2,4-Dichloro-5-cyanopyrimidine

C5HCl2N3 (172.9547526)


   

4-Chloro-3-nitrophenol

4-Chloro-3-nitrophenol

C6H4ClNO3 (172.9879704)


   

N-(2-chloropyridin-4-yl)nitramide

N-(2-chloropyridin-4-yl)nitramide

C5H4ClN3O2 (172.9992034)


   

1,2,4-Trifluoro-5-isocyanatobenzene

1,2,4-Trifluoro-5-isocyanatobenzene

C7H2F3NO (173.00884779999998)


   

3-CHLORO-6-HYDROXYPICOLINIC ACID

3-CHLORO-6-HYDROXYPICOLINIC ACID

C6H4ClNO3 (172.9879704)


   

Dichloro(diethylamino)phosphine

Dichloro(diethylamino)phosphine

C4H10Cl2NP (172.992789)


   

2-Chloro-5-(methylsulfanyl)aniline

2-Chloro-5-(methylsulfanyl)aniline

C7H8ClNS (173.00659579999999)


   
   
   

2-Amino-5-Chloropyrimidine-4-Carboxylic Acid Hydrochloride

2-Amino-5-Chloropyrimidine-4-Carboxylic Acid Hydrochloride

C5H4ClN3O2 (172.9992034)


   
   
   

4-Chloro-2,5-difluorobenzonitrile

4-Chloro-2,5-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   

5-Chloro-2-nitrophenol

5-Chloro-2-nitrophenol

C6H4ClNO3 (172.9879704)


   

1,3,4-Thiadiazol-2-amine,5-(2-propen-1-ylthio)-

1,3,4-Thiadiazol-2-amine,5-(2-propen-1-ylthio)-

C5H7N3S2 (173.0081382)


   
   
   

5-Fluoro-2-nitro-1,3-benzenediol

5-Fluoro-2-nitro-1,3-benzenediol

C6H4FNO4 (173.0124356)


   

3-nitrothiophene-2-carboxylic acid

3-nitrothiophene-2-carboxylic acid

C5H3NO4S (172.9782798)


   

2-Chloro-1-(5-fluoro-2-pyridyl)ethanone

2-Chloro-1-(5-fluoro-2-pyridyl)ethanone

C7H5ClFNO (173.00436820000002)


   

3-bromo-1H-pyrrole-2-carbaldehyde

3-bromo-1H-pyrrole-2-carbaldehyde

C5H4BrNO (172.94762339999997)


   
   

Ethylamine Hydroiodide

Ethylamine Hydroiodide

C2H8IN (172.9701478)


   

Manganese(II) acetate

Manganese(II) acetate

C4H6MnO4 (172.9646536)


   
   
   
   
   

(2Z)-3-(5-Chloro-1H-1,2,4-triazol-3-yl)acrylic acid

(2Z)-3-(5-Chloro-1H-1,2,4-triazol-3-yl)acrylic acid

C5H4ClN3O2 (172.9992034)


   

4,6-Dichloropyrimidine-5-carbonitrile

4,6-Dichloropyrimidine-5-carbonitrile

C5HCl2N3 (172.9547526)


   
   

5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid

5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid

C4H3N3O3S (172.9895128)


   

Methyl 3-chloroalaninate hydrochloride (1:1)

Methyl 3-chloroalaninate hydrochloride (1:1)

C4H9Cl2NO2 (173.00103140000002)


   

5-chloro-3-nitro-2-pyridinamine

5-chloro-3-nitro-2-pyridinamine

C5H4ClN3O2 (172.9992034)


   

ALPHA-CHLORO-4-FLUOROBENZALDOXIME

ALPHA-CHLORO-4-FLUOROBENZALDOXIME

C7H5ClFNO (173.00436820000002)


   

2-Chloro-4,5-difluorobenzonitrile

2-Chloro-4,5-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   
   
   

2-Pyridinecarboxylic acid,6-chloro-5-hydroxy-

2-Pyridinecarboxylic acid,6-chloro-5-hydroxy-

C6H4ClNO3 (172.9879704)


   
   
   

3-Chloro-5-nitro-4-pyridinamine

3-Chloro-5-nitro-4-pyridinamine

C5H4ClN3O2 (172.9992034)


   

4-Chloro-3,5-difluorobenzonitrile

4-Chloro-3,5-difluorobenzonitrile

C7H2ClF2N (172.9843826)


   
   

Carbonimidicdichloride, N-phenyl-

Carbonimidicdichloride, N-phenyl-

C7H5Cl2N (172.979903)


   

1-METHYLPYRIDIN-1-IUM BROMIDE

1-METHYLPYRIDIN-1-IUM BROMIDE

C6H8BrN (172.9840068)


   

Acetic acid,oxo(1,3,4-thiadiazol-2-ylamino)- (9CI)

Acetic acid,oxo(1,3,4-thiadiazol-2-ylamino)- (9CI)

C4H3N3O3S (172.9895128)


   
   
   

2-chloro-5-[(methylthio)methyl]pyridine(SALTDATA: FREE)

2-chloro-5-[(methylthio)methyl]pyridine(SALTDATA: FREE)

C7H8ClNS (173.00659579999999)


   

2-Chloro-3-Nitro-Phenol

2-Chloro-3-Nitro-Phenol

C6H4ClNO3 (172.9879704)


   
   

2-chloro-trans-dienelactone

trans-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide anion

C6H2ClO4- (172.9641622)


2-chloro-trans-dienelactone, also known as cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide, is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-chloro-trans-dienelactone is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-chloro-trans-dienelactone can be found in a number of food items such as giant butterbur, soy bean, common persimmon, and salmonberry, which makes 2-chloro-trans-dienelactone a potential biomarker for the consumption of these food products.

   

4-Hydroxybenzenesulfonate

4-Hydroxybenzenesulfonate

C6H5O4S- (172.990855)


   

cis-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide

cis-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide

C6H2ClO4- (172.9641622)


   

Phenyl sulfate

Phenyl sulfate

C6H5O4S- (172.990855)


A phenyl sulfate oxoanion resulting from the removal of a proton from the hydrogen sulfate group of phenyl hydrogen sulfate. Major structure at pH 7.3

   

6-Carboxy-5-fluoro-2-hydroxypyrimidin-4-olate

6-Carboxy-5-fluoro-2-hydroxypyrimidin-4-olate

C5H2FN2O4- (172.9998604)


   

Dehydroascorbide(1-)

Dehydroascorbide(1-)

C6H5O6- (173.00861300000003)


Conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the C-2 position; major species at pH 7.3.

   

5-Chloro-trans-dienelactone

5-Chloro-trans-dienelactone

C6H2ClO4- (172.9641622)


   

2-(Methyldithio)pyridine-N-oxide

2-(Methyldithio)pyridine-N-oxide

C6H7NOS2 (172.99690520000001)


A pyridine alkaloid that is pyridine N-oxide substituted by a methyldisulfanyl group at position 2. Isolated from Allium stipitatum, it exhibits antibacterial activity.

   

2-[(1S)-1,2-dihydroxyethyl]-3,4,5-trioxotetrahydrofuran-2-ide

2-[(1S)-1,2-dihydroxyethyl]-3,4,5-trioxotetrahydrofuran-2-ide

C6H5O6- (173.00861300000003)


   
   

trans-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide(1-)

trans-2-Chloro-4-carboxylatomethylenebut-2-en-1,4-olide(1-)

C6H2ClO4- (172.9641622)


   

L-Dehydroascorbate

L-Dehydroascorbate

C6H5O6 (173.00861300000003)


An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.

   

2-(methylsulfanylsulfinyl)pyridine

2-(methylsulfanylsulfinyl)pyridine

C6H7NOS2 (172.99690520000001)


   

2-(methyldisulfanyl)pyridin-1-ium-1-olate

2-(methyldisulfanyl)pyridin-1-ium-1-olate

C6H7NOS2 (172.99690520000001)


   

2-[(s)-methylsulfanylsulfinyl]pyridine

2-[(s)-methylsulfanylsulfinyl]pyridine

C6H7NOS2 (172.99690520000001)