Exact Mass: 126.9820258

Exact Mass Matches: 126.9820258

Found 118 metabolites which its exact mass value is equals to given mass value 126.9820258, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

4-Chloroaniline

4-Chloroaniline, trifluoroboron salt (1:1)

C6H6ClN (127.0188746)


CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3539; ORIGINAL_PRECURSOR_SCAN_NO 3535 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3546; ORIGINAL_PRECURSOR_SCAN_NO 3542 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3544; ORIGINAL_PRECURSOR_SCAN_NO 3541 CONFIDENCE standard compound; INTERNAL_ID 4138 CONFIDENCE standard compound; INTERNAL_ID 8258 CONFIDENCE standard compound; INTERNAL_ID 8115

   

2,3,6-Trihydroxypyridine

2,3,6-Trihydroxypyridine

C5H5NO3 (127.026942)


   

5-Hydroxypyrrole-2-carboxylate

5-hydroxypyrrole-2-carboxylic acid

C5H5NO3 (127.026942)


   

2-Acetylthiazole

1-(1,3-thiazol-2-yl)ethan-1-one

C5H5NOS (127.009184)


2-Acetylthiazole is found in alcoholic beverages. 2-Acetylthiazole is an important flavour component; antioxidant. 2-Acetylthiazole is present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize. 2-Acetylthiazole is an important flavouring component; antioxidant. Present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize.

   

Hydroxyminaline

4-hydroxy-1H-pyrrole-2-carboxylic acid

C5H5NO3 (127.026942)


Hydroxyminaline is a component of the molecule pectase found in Penicillium and Aspergillu Component of the molecule pectase found in Penicillium and Aspergillus

   

Nitrosylsulfuric acid

Sulfuric acid, anhydride with nitrous acid (1:1)

HNO5S (126.9575456)


Nitrosylsulfuric acid is used for bleaching cereal milling products This salt is a source of the NO+ ion, It can also be viewed as the mixed acid anhydride of sulfuric acid and nitrous acid It is used for bleaching cereal milling products

   

2-Chloroaniline

2-Chloroaniline hydrochloride

C6H6ClN (127.0188746)


   

3-(Chloromethyl)pyridine

3-(Chloromethyl)pyridine hydrochloride

C6H6ClN (127.0188746)


   

3-Chloroaniline

3-Chloroaniline hydrochloride

C6H6ClN (127.0188746)


   

n-chloroaniline

N-phenylchloranamine

C6H6ClN (127.0188746)


   

Penem

1-Aza-4-thiabicyclo[3.2.0]hepta-2-ene-7-one

C5H5NOS (127.009184)


   

pyrithione

1-hydroxy-1,2-dihydropyridine-2-thione

C5H5NOS (127.009184)


   

Crotonyl isothiocyanate

(2E)-But-2-enecarbonyl isothiocyanic acid

C5H5NOS (127.009184)


Crotonyl isothiocyanate is a member of the class of compounds known as isothiocyanate acids. Isothiocyanate acids are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S. Crotonyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Crotonyl isothiocyanate can be found in chinese mustard, which makes crotonyl isothiocyanate a potential biomarker for the consumption of this food product.

   

5-vinyl-4,5-dihydrooxazole-2-thione

5-vinyl-4,5-dihydrooxazole-2-thione

C5H5NOS (127.009184)


   

2,2-Dichloroacetamide

2,2-Dichloroacetamide

C2H3Cl2NO (126.9591688)


   

Codopiloic acid

Codopiloic acid

C5H5NO3 (127.026942)


   

5-Methylisoxazole-3-carboxylic acid

5-Methylisoxazole-3-carboxylic acid

C5H5NO3 (127.026942)


   

2-Acetylthiazol

3,3'-DICARBOXYDIPHENYLMETHANE

C5H5NOS (127.009184)


   

Hydroxyminaline

4-hydroxy-1H-pyrrole-2-carboxylic acid

C5H5NO3 (127.026942)


   

Nitrose

Sulfuric acid, anhydride with nitrous acid (1:1)

HNO5S (126.9575456)


   

2-Chloro-5-methylpyridine

2-Chloro-5-methylpyridine

C6H6ClN (127.0188746)


   

5-METHYLOXAZOLE-2-CARBOXYLIC ACID

5-METHYLOXAZOLE-2-CARBOXYLIC ACID

C5H5NO3 (127.026942)


   

4-Methylisoxazole-5-carboxylic acid

4-Methylisoxazole-5-carboxylic acid

C5H5NO3 (127.026942)


   

3-Chloroazetidine hydrochloride (1:1)

3-Chloroazetidine hydrochloride (1:1)

C3H7Cl2N (126.9955522)


   
   

5-Methyl-4-isoxazolecarboxylic acid

5-Methyl-4-isoxazolecarboxylic acid

C5H5NO3 (127.026942)


   

5-AMINO-FURAN-2-CARBOXYLIC ACID

5-AMINO-FURAN-2-CARBOXYLIC ACID

C5H5NO3 (127.026942)


   

4-Cyano-3-oxotetrahydrothiophene

4-Cyano-3-oxotetrahydrothiophene

C5H5NOS (127.009184)


   

2-Chloro-3-picoline

2-Chloro-3-picoline

C6H6ClN (127.0188746)


   

Vanadium(IV) Fluoride

Vanadium(IV) Fluoride

F4V (126.93757579999999)


   

2-mercaptopyridine n-oxide

2-mercaptopyridine n-oxide

C5H5NOS (127.009184)


   

2-Chloroaniline

2-Chloroaniline

C6H6ClN (127.0188746)


   

1H-imidazole-2-carbothioamide

1H-imidazole-2-carbothioamide

C4H5N3S (127.02041700000001)


   

N-Methyltrifluoroacetamide

N-Methyltrifluoroacetamide

C3H4F3NO (127.024497)


   

2,3,3,3-Tetrafluoropropionitrile

2,3,3,3-Tetrafluoropropionitrile

C3HF4N (127.00451139999998)


   

6-Chloro-2-picoline

6-Chloro-2-picoline

C6H6ClN (127.0188746)


   

4-Formyl-2-methylthiazole

4-Formyl-2-methylthiazole

C5H5NOS (127.009184)


   

2-Methyl-1,3-thiazole-5-carbaldehyde

2-Methyl-1,3-thiazole-5-carbaldehyde

C5H5NOS (127.009184)


   

METHYL OXAZOLE-4-CARBOXYLATE

METHYL OXAZOLE-4-CARBOXYLATE

C5H5NO3 (127.026942)


   

4-METHYLISOTHIAZOLE-5-CARBALDEHYDE

4-METHYLISOTHIAZOLE-5-CARBALDEHYDE

C5H5NOS (127.009184)


   

4-(Chloromethyl)pyridine

4-(Chloromethyl)pyridine

C6H6ClN (127.0188746)


   

3-Methyl-4-isoxazolecarboxylic acid

3-Methyl-4-isoxazolecarboxylic acid

C5H5NO3 (127.026942)


   

4-Methyl-1,2-oxazole-3-carboxylic acid

4-Methyl-1,2-oxazole-3-carboxylic acid

C5H5NO3 (127.026942)


   

METHYL OXAZOLE-2-CARBOXYLATE

METHYL OXAZOLE-2-CARBOXYLATE

C5H5NO3 (127.026942)


   

3-Acetyl-2(3H)-oxazolone

3-Acetyl-2(3H)-oxazolone

C5H5NO3 (127.026942)


   

5-Methyl-1,3-oxazole-4-carboxylic acid

5-Methyl-1,3-oxazole-4-carboxylic acid

C5H5NO3 (127.026942)


   

4-Methyl-1,3-oxazole-5-carboxylic acid

4-Methyl-1,3-oxazole-5-carboxylic acid

C5H5NO3 (127.026942)


   
   

Acetoacetic acid, 2-cyano- (7CI)

Acetoacetic acid, 2-cyano- (7CI)

C5H5NO3 (127.026942)


   

2-Picolyl chloride

2-(Chloromethyl)pyridine

C6H6ClN (127.0188746)


   
   

Pyrithione

Pyrithione

C5H5NOS (127.009184)


C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

1-ISOTHIAZOL-5-YL-ETHANONE

1-ISOTHIAZOL-5-YL-ETHANONE

C5H5NOS (127.009184)


   

3-Methyl-1,2-oxazole-5-carboxylic acid

3-Methyl-1,2-oxazole-5-carboxylic acid

C5H5NO3 (127.026942)


   

2-Methyl-1,3-oxazole-4-carboxylic acid

2-Methyl-1,3-oxazole-4-carboxylic acid

C5H5NO3 (127.026942)


   

3,3,3-Trifluoropropanamide

3,3,3-Trifluoropropanamide

C3H4F3NO (127.024497)


   

3-Aminothiophene-2-carbaldehyde

3-Aminothiophene-2-carbaldehyde

C5H5NOS (127.009184)


   

4-Methyl-1,3-thiazole-2-carbaldehyde

4-Methyl-1,3-thiazole-2-carbaldehyde

C5H5NOS (127.009184)


   

2-Thiophenecarboxamide

2-Thiophenecarboxamide

C5H5NOS (127.009184)


   

4-CHLOROANILINE

1-Amino-4-chlorobenzene

C6H6ClN (127.0188746)


   

Sodium [(hydroxymethyl)amino]acetate

Sodium [(hydroxymethyl)amino]acetate

C3H6NNaO3 (127.0245366)


   

Methyl 1,2-oxazole-4-carboxylate

Methyl 1,2-oxazole-4-carboxylate

C5H5NO3 (127.026942)


   

2(1H)-Pyridinethione,3-hydroxy-

2(1H)-Pyridinethione,3-hydroxy-

C5H5NOS (127.009184)


   

3-Chloro-2-picoline

3-Chloro-2-picoline

C6H6ClN (127.0188746)


   

Chromium(III) fluoride tetrahydrate

Chromium(III) fluoride tetrahydrate

H2CrF3O (126.9462838)


   

5-Formyl-4-methylthiazole

5-Formyl-4-methylthiazole

C5H5NOS (127.009184)


   

Methyl 5-oxazolecarboxylate

Methyl 5-oxazolecarboxylate

C5H5NO3 (127.026942)


   

4-Chloro-3-methylpyridine

4-Chloro-3-methylpyridine

C6H6ClN (127.0188746)


   

1H-imidazole-5-carbothioamide

1H-imidazole-5-carbothioamide

C4H5N3S (127.02041700000001)


   

1-bromopropane-1,1,3,3,3-d5

1-bromopropane-1,1,3,3,3-d5

C3H2BrD5 (127.00449409)


   

1-(5-Thiazolyl)-Ethanone

1-(5-Thiazolyl)-Ethanone

C5H5NOS (127.009184)


   

furancarbothioamide

furancarbothioamide

C5H5NOS (127.009184)


   

3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)

3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)

C5H5NO3 (127.026942)


   
   

COPPER(II) METHOXIDE

COPPER(II) METHOXIDE

C2H8CuO2 (126.9820258)


   

5-Methylthiazole-4-carbaldehyde

5-Methylthiazole-4-carbaldehyde

C5H5NOS (127.009184)


   

4-Methyl-1,3-oxazole-2-carboxylic acid

4-Methyl-1,3-oxazole-2-carboxylic acid

C5H5NO3 (127.026942)


   
   

5-Isothiazolecarboxaldehyde, 3-methyl- (7CI, 9CI)

5-Isothiazolecarboxaldehyde, 3-methyl- (7CI, 9CI)

C5H5NOS (127.009184)


   

thiophene-3-carboxamide

thiophene-3-carboxamide

C5H5NOS (127.009184)


   

Methyl 1,2-oxazole-5-carboxylate

Methyl 1,2-oxazole-5-carboxylate

C5H5NO3 (127.026942)


   

3,5-Pyridinediol,1-oxide(9CI)

3,5-Pyridinediol,1-oxide(9CI)

C5H5NO3 (127.026942)


   

thiophene-3-carboxaldoxime

thiophene-3-carboxaldoxime

C5H5NOS (127.009184)


   

5-methylthiazole-2-carbaldehyde

5-methylthiazole-2-carbaldehyde

C5H5NOS (127.009184)


   

Thiophene-2-carbaldehyde oxime

Thiophene-2-carbaldehyde oxime

C5H5NOS (127.009184)


   

3-Chloro-5-methylpyridine

3-Chloro-5-methylpyridine

C6H6ClN (127.0188746)


   

4(1H)-Pyrimidinethione,2-amino-

4(1H)-Pyrimidinethione,2-amino-

C4H5N3S (127.02041700000001)


   

1,1,1-Trifluoroacetone oxime

1,1,1-Trifluoroacetone oxime

C3H4F3NO (127.024497)


   

2-Chloro-4-picoline

2-Chloro-4-picoline

C6H6ClN (127.0188746)


   

4-Chloro-2-methylpyridine

4-Chloro-2-methylpyridine

C6H6ClN (127.0188746)


   

5-Chloro-2-methylpyridine

5-Chloro-2-methylpyridine

C6H6ClN (127.0188746)


   

isoxazol-3-yl-acetic acid

isoxazol-3-yl-acetic acid

C5H5NO3 (127.026942)


   

Beryllium aluminate.

Beryllium aluminate.

Be(AlO2)2 (126.954925)


   

Thiophene-2-carboxylate

5-(CHLOROMTHYL)-1,3-BENZODIOXOLE

C5H3O2S- (126.9853758)


   

5-Fluorothiophene-2-carbonitrile

5-Fluorothiophene-2-carbonitrile

C5H2FNS (126.98919839999999)


   

2-Pyridinol,5-mercapto-(8CI)

2-Pyridinol,5-mercapto-(8CI)

C5H5NOS (127.009184)


   

3-Methyl-2-nitrofuran

3-Methyl-2-nitrofuran

C5H5NO3 (127.026942)


   

N-(Hydroxymethyl)maleimide

N-(Hydroxymethyl)maleimide

C5H5NO3 (127.026942)


   
   

2H-PYRAZOLE-3-CARBOTHIOIC ACID AMIDE

2H-PYRAZOLE-3-CARBOTHIOIC ACID AMIDE

C4H5N3S (127.02041700000001)


   

3-furancarbothioamide

3-furancarbothioamide

C5H5NOS (127.009184)


   

Thiosemicarbazide Hydrochloride

Thiosemicarbazide Hydrochloride

CH6ClN3S (126.9970946)


   

(Chloromethylene)dimethyliminium chloride

(Chloromethylene)dimethyliminium chloride

C3H7Cl2N (126.9955522)


   

OXAMIC ACID POTASSIUM SALT

OXAMIC ACID POTASSIUM SALT

C2H2KNO3 (126.9671762)


   

1-(4-Thiazolyl)ethanone

1-(4-Thiazolyl)ethanone

C5H5NOS (127.009184)


   

2-Methyloxazole-5-carboxylic acid

2-Methyloxazole-5-carboxylic acid

C5H5NO3 (127.026942)


   

Dichloroacetate

Dichloroacetate

C2HCl2O2- (126.93536060000001)


A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid.

   
   

Penem

Penem

C5H5NOS (127.009184)


An organic heterobicyclic compound that consists of (5R)-4-thia-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of penems. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

2-(Methylsulfanyl)-1,3,5-triazine

2-(Methylsulfanyl)-1,3,5-triazine

C4H5N3S (127.02041700000001)


   
   

2,4-dioxo-1H-pyrimidin-6-olate

2,4-dioxo-1H-pyrimidin-6-olate

C4H3N2O3- (127.0143668)


   
   

5-hydroxypyrrole-2-carboxylic acid

5-hydroxypyrrole-2-carboxylic acid

C5H5NO3 (127.026942)


   

2-Acetylthiazole

2-Acetylthiazole

C5H5NOS (127.009184)


   

4-hydroxy-1H-pyrrole-2-carboxylic acid

4-hydroxy-1H-pyrrole-2-carboxylic acid

C5H5NO3 (127.026942)


   
   

Trihydroxypyridine

Trihydroxypyridine

C5H5NO3 (127.026942)