Exact Mass: 112.9888

Exact Mass Matches: 112.9888

Found 108 metabolites which its exact mass value is equals to given mass value 112.9888, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

O-phosphonohydroxylamine

O-phosphonohydroxylamine

H4NO4P (112.9878)


   

2-Nitrofuran

5-Nitrofuran

C4H3NO3 (113.0113)


   

2-Nitroimidazole

Azomycin, monohydrofluoride

C3H3N3O2 (113.0225)


Azomycin (2-Nitroimidazole) is an antibiotic which can be active against aerobic Gram-positive and Gram-negative bacteria.

   

Thiiranepropanenitrile

1-Cyano-3,4-epithiobutane, (+-)-isomer

C5H7NS (113.0299)


Thiiranepropanenitrile is found in brassicas. Thiiranepropanenitrile is a hydrolysis produced from seeds of Brassica campestris. Hydrolysis production from seeds of Brassica campestris. Thiiranepropanenitrile is found in brassicas.

   

4-Isothiocyanato-1-butene

Isothiocyanic acid, 3-butenyl ester

C5H7NS (113.0299)


Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. Formed from 3-Butenyl glycosinolate LBB62-U. 4-Isothiocyanato-1-butene is found in many foods, some of which are white cabbage, horseradish, brassicas, and cabbage. 4-Isothiocyanato-1-butene is found in brassicas. Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. 4-Isothiocyanato-1-butene is formed from 3-Butenyl glycosinolate LBB62-U.

   

2,4-Dimethylthiazole

2,4-Dimethyl-thiazole

C5H7NS (113.0299)


2,4-Dimethylthiazole is found in animal foods. 2,4-Dimethylthiazole is a constituent of beef aroma. Constituent of beef aroma. 2,4-Dimethylthiazole is found in tea and animal foods.

   

2,5-Dimethylthiazole

2,5-Dimethyl-1,3-thiazole

C5H7NS (113.0299)


2,5-Dimethylthiazole is found in cereals and cereal products. 2,5-Dimethylthiazole is organoleptic agent. 2,5-Dimethylthiazole is a food flavour/aroma component. 2,5-Dimethylthiazole is reported in roasted peanuts and roasted sesame seeds together with isomers. Organoleptic agent. Food flavour/aroma component. Reported in roasted peanuts and roasted sesame seeds together with isomers. 2,5-Dimethylthiazole is found in tea, cereals and cereal products, and nuts.

   

4,5-Dimethylthiazole

(Trichloromethyl)-phosphonous dichloride

C5H7NS (113.0299)


4,5-Dimethylthiazole is a flavouring agent. Flavouring agent

   

2-Ethylthiazole

2-ethyl-1,3-thiazole

C5H7NS (113.0299)


2-Ethylthiazole is found in mushrooms. 2-Ethylthiazole is a flavouring ingredient for coffee. It is a Maillard product, a volatile component of yeast extract, and a product of thermal decomposition of Alliin BDM42-Z. Flavouring ingredient for coffee; Maillard product; volatile component of yeast extract; product of thermal dec. of Alliin BDM42-Z. 2-Ethylthiazole is found in mushrooms.

   

1,3,5-Triazine-2,4(1H,3H)-dione

1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione

C3H3N3O2 (113.0225)


   

1H-Imidazole, nitro-

1-nitro-1H-imidazole

C3H3N3O2 (113.0225)


   

Trifluoroacetamide

trifluoroethanimidic acid

C2H2F3NO (113.0088)


   

3-Nitro-1H-pyrazole

5-nitro-1H-pyrazole

C3H3N3O2 (113.0225)


   

4-Nitroimidazole

1H-imidazole, 5-nitro-

C3H3N3O2 (113.0225)


   

6-Azauracil

1,2,4-Triazine-3,5(2H,4H)-dione

C3H3N3O2 (113.0225)


D009676 - Noxae > D000963 - Antimetabolites

   

Thiophene, 2-nitroso-

Thiophene, 2-nitroso-

C4H3NOS (112.9935)


   

Butenyl isothiocyanate

isothiocyanic acid 3-buten-1-yl ester

C5H7NS (113.0299)


Butenyl isothiocyanate, also known as bylitc, is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Butenyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butenyl isothiocyanate can be found in corn and oat, which makes butenyl isothiocyanate a potential biomarker for the consumption of these food products.

   

2,4-Methylthiazole

2,4-Dimethyl-1,3-thiazole

C5H7NS (113.0299)


   

2,5-Dimethylthiazole

2,5-Dimethyl-1,3-thiazole

C5H7NS (113.0299)


   

FEMA 3274

(Trichloromethyl)-phosphonous dichloride

C5H7NS (113.0299)


   

Crotyl mustard oil

Isothiocyanic acid, 3-butenyl ester

C5H7NS (113.0299)


   

Thiiranepropanenitrile

3-(thiiran-2-yl)propanenitrile

C5H7NS (113.0299)


   

2-ETHYLTHIAZOLE

2-ethyl-1,3-thiazole

C5H7NS (113.0299)


   

6-Fluoro-3-pyridinol

6-Fluoro-3-pyridinol

C5H4FNO (113.0277)


   

4-Nitro-1H-pyrazole

4-Nitro-1H-pyrazole

C3H3N3O2 (113.0225)


   

2-Thiazolecarboxaldehyde

2-Thiazolecarboxaldehyde

C4H3NOS (112.9935)


   

mono-oxazole carboxylic acid

mono-oxazole carboxylic acid

C4H3NO3 (113.0113)


   

2-Chloropyridine

2-Chloropyridine

C5H4ClN (113.0032)


   

3-Chloropyridine

3-Chloropyridine

C5H4ClN (113.0032)


   

Hydroxylamine-O-Sulfonic Acid

Hydroxylamine-O-Sulfonic Acid

H3NO4S (112.9783)


   

1,2-Oxazol-4-ylboronic acid

1,2-Oxazol-4-ylboronic acid

C3H4BNO3 (113.0284)


   

Thiophen-3-ylmethanamine

Thiophen-3-ylmethanamine

C5H7NS (113.0299)


   

Oxazole-4-carboxylic acid

Oxazole-4-carboxylic acid

C4H3NO3 (113.0113)


   

3-Fluoropyridine 1-oxide

3-Fluoropyridine 1-oxide

C5H4FNO (113.0277)


   

4H-1,2,4-Triazole-3-carboxylic acid

4H-1,2,4-Triazole-3-carboxylic acid

C3H3N3O2 (113.0225)


   

ammonium methanesulfonate

ammonium methanesulfonate

CH7NO3S (113.0147)


   

3-(AMINOMETHYL)THIOPHENE HYDROCHLORIDE

3-(AMINOMETHYL)THIOPHENE HYDROCHLORIDE

C5H7NS (113.0299)


   

Bromoethane

Bromoethane

C2BrD5 (112.9888)


   

4-chloropyridine

4-chloropyridine

C5H4ClN (113.0032)


   

N-hydroxymaleamine

N-hydroxymaleamine

C4H3NO3 (113.0113)


   

Isoxazole-3-carboxylic acid

Isoxazole-3-carboxylic acid

C4H3NO3 (113.0113)


   

2-Fluoro-3-pyridinol

2-Fluoro-3-pyridinol

C5H4FNO (113.0277)


   

2-Cyano-2-oximinoacetamide

2-Cyano-2-oximinoacetamide

C3H3N3O2 (113.0225)


   

4-Methyl-thiophen-2-ylamine

4-Methyl-thiophen-2-ylamine

C5H7NS (113.0299)


   

1,3-Oxazol-2-ylboronic acid

1,3-Oxazol-2-ylboronic acid

C3H4BNO3 (113.0284)


   

1H-1,2,3-Triazole-4-carboxylic acid

1H-1,2,3-Triazole-4-carboxylic acid

C3H3N3O2 (113.0225)


   

4-ETHYLTHIAZOLE

4-ETHYLTHIAZOLE

C5H7NS (113.0299)


   

isoxazole-5-carboxylic acid

isoxazole-5-carboxylic acid

C4H3NO3 (113.0113)


   

Isothiazole-4-carbaldehyde

Isothiazole-4-carbaldehyde

C4H3NOS (112.9935)


   

1-Nitropyrazole

1-Nitropyrazole

C3H3N3O2 (113.0225)


   

Tetrahydrothiophene-2-carbonitrile

Tetrahydrothiophene-2-carbonitrile

C5H7NS (113.0299)


   

5-Fluorpyridin-2-ol

5-Fluorpyridin-2-ol

C5H4FNO (113.0277)


   

Thiazole-5-carboxaldehyde

Thiazole-5-carboxaldehyde

C4H3NOS (112.9935)


   

thienylmethylamine

thienylmethylamine

C5H7NS (113.0299)


   

Cysteamine Hydrochloride

Cysteamine Hydrochloride

C2H8ClNS (113.0066)


C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D065104 - Cystine Depleting Agents Cysteamine hydrochloride (2-Aminoethanethiol hydrochloride) is an orally active agent for the treatment of nephropathic cystinosis and an antioxidant. Cysteamine hydrochloride (2-Aminoethanethiol hydrochloride) is an orally active agent for the treatment of nephropathic cystinosis and an antioxidant.

   

chlorobenzene-4-d1

chlorobenzene-4-d1

C6H4ClD (113.0143)


   

4-methyl-1,2,4-triazole-3,5-dione

4-methyl-1,2,4-triazole-3,5-dione

C3H3N3O2 (113.0225)


   

Isothiazole-5-carbaldehyde

Isothiazole-5-carbaldehyde

C4H3NOS (112.9935)


   

Oxazole-5-carboxylic acid

Oxazole-5-carboxylic acid

C4H3NO3 (113.0113)


   

Thiazole-4-carboxaldehyde

Thiazole-4-carboxaldehyde

C4H3NOS (112.9935)


   

1H-1,2,4-Triazole-3-carboxylic acid

1H-1,2,4-Triazole-3-carboxylic acid

C3H3N3O2 (113.0225)


   

methallyl isothiocyanate tech

methallyl isothiocyanate tech

C5H7NS (113.0299)


   

2-Fluoropyridin-4-ol

2-Fluoropyridin-4-ol

C5H4FNO (113.0277)


   

4-Fluoropyridin-2-ol

4-Fluoropyridin-2-ol

C5H4FNO (113.0277)


   

6-Fluoropyridin-2-ol

6-Fluoropyridin-2-ol

C5H4FNO (113.0277)


   

5-Fluoropyridin-3-ol

5-Fluoropyridin-3-ol

C5H4FNO (113.0277)


   

3-Fluoropyridin-4-ol

3-Fluoropyridin-4-ol

C5H4FNO (113.0277)


   

3-Amino-5-methylthiophene

3-Amino-5-methylthiophene

C5H7NS (113.0299)


   

CYCLOPROPYLMETHYL ISOTHIOCYANATE

CYCLOPROPYLMETHYL ISOTHIOCYANATE

C5H7NS (113.0299)


   

Sodium (2R)-2-hydroxy(2-2H)propanoate

Sodium (2R)-2-hydroxy(2-2H)propanoate

C3H4DNaO3 (113.0199)


   

4-Isoxazolecarboxylic acid

4-Isoxazolecarboxylic acid

C4H3NO3 (113.0113)


   

1,3-Oxazol-5-ylboronic acid

1,3-Oxazol-5-ylboronic acid

C3H4BNO3 (113.0284)


   

3-oxauracil

3-oxauracil

C4H3NO3 (113.0113)


   

Trifluoroacetamide

2,2,2-Trifluoroacetamide

C2H2F3NO (113.0088)


   

3-Amino-4-methylthiophene

3-Amino-4-methylthiophene

C5H7NS (113.0299)


   

2H-1,2,3-Triazole-4-carboxylic acid

2H-1,2,3-Triazole-4-carboxylic acid

C3H3N3O2 (113.0225)


   

3-Fluoro-2-hydroxypyridine

3-Fluoro-2-hydroxypyridine

C5H4FNO (113.0277)


   

(Hydroperoxysulfonyl)oxidanide

(Hydroperoxysulfonyl)oxidanide

HO5S- (112.9545)


   

Trifluoroacetate

Trifluoroacetate

C2F3O2- (112.985)


   

2H-tetrazole-5-carboxamide

2H-tetrazole-5-carboxamide

C2H3N5O (113.0338)


   

2-Hydroxy-3,4-dioxocyclobut-1-en-1-olate

2-Hydroxy-3,4-dioxocyclobut-1-en-1-olate

C4HO4- (112.9875)


   

3386-97-8

but-3-enylimino-thioxo-methane

C5H7NS (113.0299)


   

34424-44-7

isothiocyanic acid 3-buten-1-yl ester

C5H7NS (113.0299)


   

cis-2-Hydroxypenta-2,4-dienoate

cis-2-Hydroxypenta-2,4-dienoate

C5H5O3- (113.0239)


   

2-Oxopent-4-enoate

2-Oxopent-4-enoate

C5H5O3- (113.0239)


   

3-cyano-L-alaninate

3-cyano-L-alaninate

C4H5N2O2- (113.0351)


The conjugate base of 3-cyano-L-alanine; major species at pH 7.3.

   

(2Z)-2-hydroxypenta-2,4-dienoate

(2Z)-2-hydroxypenta-2,4-dienoate

C5H5O3- (113.0239)


A 2-hydroxypenta-2,4-dienoate in which the double bond between positions 2 and 3 has Z- (trans-) geometry.

   

(3E)-2-oxopent-3-enoate

(3E)-2-oxopent-3-enoate

C5H5O3- (113.0239)


   

3-Carboxyprop-2-ynoate

3-Carboxyprop-2-ynoate

C4HO4- (112.9875)


   

N-(cyanomethyl)glycinate

N-(cyanomethyl)glycinate

C4H5N2O2- (113.0351)


   

(R)-5-methyl-tetronate

(R)-5-methyl-tetronate

C5H5O3- (113.0239)


   

Sulfodioxidanyl

Sulfodioxidanyl

HO5S (112.9545)


   

Sulfodioxidanide

Sulfodioxidanide

HO5S- (112.9545)


   

CID 135886620

CID 135886620

C5H5O3+ (113.0239)


   

CID 6857650

CID 6857650

H2O5P (112.964)


   

Azomycin

2-Nitroimidazole

C3H3N3O2 (113.0225)


Azomycin (2-Nitroimidazole) is an antibiotic which can be active against aerobic Gram-positive and Gram-negative bacteria.

   

6-Azauracil

6-Azauracil

C3H3N3O2 (113.0225)


D009676 - Noxae > D000963 - Antimetabolites

   

(2E)-2-hydroxypenta-2,4-dienoate

(2E)-2-hydroxypenta-2,4-dienoate

C5H5O3 (113.0239)


A 2-hydroxypenta-2,4-dienoate in which the double bond between positions 2 and 3 has E- (cis-) geometry.

   

2-Hydroxypenta-2,4-dienoate

2-Hydroxypenta-2,4-dienoate

C5H5O3 (113.0239)


The conjugate base of 2-hydroxypenta-2,4-dienoic acid.

   

2,4-Dimethylthiazole

2.4-Dimethyl thiazole

C5H7NS (113.0299)


   

3-Butenyl isothiocyanate

3-buten-1-yl isothiocyanate

C5H7NS (113.0299)


   

4,5-Dimethylthiazole

4,5-Dimethylthiazole

C5H7NS (113.0299)


   

4-Nitroimidazole

4-Nitroimidazole

C3H3N3O2 (113.0225)


   

AI3-23606

2-NITROFURAN

C4H3NO3 (113.0113)


   

hydrogensquarate

hydrogensquarate

C4HO4 (112.9875)


A carbon oxoanion which is a monoanion obtained by the deprotonation of one of the hydroxy groups of squaric acid.

   

1,2-oxazole-4-carboxylic acid

1,2-oxazole-4-carboxylic acid

C4H3NO3 (113.0113)


   

but-3-en-1-ylsulfanylcarbonitrile

but-3-en-1-ylsulfanylcarbonitrile

C5H7NS (113.0299)


   

3-[(2s)-thiiran-2-yl]propanenitrile

3-[(2s)-thiiran-2-yl]propanenitrile

C5H7NS (113.0299)