Exact Mass: 181.0369

Exact Mass Matches: 181.0369

Found 87 metabolites which its exact mass value is equals to given mass value 181.0369, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C8H7NO4 (181.0375)


2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is a benzoxazinoid precursor of 2-aminophenol sulfate. It is a metabolite found in urine of individuals that have consumed whole grains. It is a particularly strong biomarker for whole grain rye bread consumption (PMID: 23307617). Isolated from seedlings of rye and sweet corn (Zea mays). 2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils.

   

2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate

5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid

C8H7NO4 (181.0375)


2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is an intermediate in vitamin B6 metabolism(KEGG ID C06050). It is the 4th to last step in the synthesis of succinate semialdehyde, which is an intermediate in butanoate metabolism. 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is converted from 4-pyridoxate and is then converted to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate. [HMDB] 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is an intermediate in vitamin B6 metabolism(KEGG ID C06050). It is the 4th to last step in the synthesis of succinate semialdehyde, which is an intermediate in butanoate metabolism. 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate is converted from 4-pyridoxate and is then converted to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate.

   

(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

2,7-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C8H7NO4 (181.0375)


Identified in sweet corn extracts. (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils. (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. Identified in sweet corn extracts.

   

2-Nitrophenyl acetate

2-Nitrophenyl acetic acid

C8H7NO4 (181.0375)


   

3-Aminophthalic acid

3-aminobenzene-1,2-dicarboxylic acid

C8H7NO4 (181.0375)


   

4-Hydroxy-3-nitrophenylacetaldehyde

2-(4-Hydroxy-3-nitrophenyl)acetaldehyde

C8H7NO4 (181.0375)


   

4-Nitrophenyl acetate

4-Nitrophenyl acetate, 14C-labeled

C8H7NO4 (181.0375)


   

4-Nitrophenylacetic acid

2-(4-Nitrophenoxy)acetic acid

C8H7NO4 (181.0375)


   

ACMC-20mgak

ACMC-20mgak

C8H7NO4 (181.0375)


   

2,6-Pyridinedicarboxylic acid monomethyl ester

2,6-Pyridinedicarboxylic acid monomethyl ester

C8H7NO4 (181.0375)


   

24195-02-6

24195-02-6

C8H7NO4 (181.0375)


   

2-hydroxy-3-formylaminobenzoic acid

2-hydroxy-3-formylaminobenzoic acid

C8H7NO4 (181.0375)


   

3-Hydroxy-6-methoxybenzoxazole-2(3H)-one

3-Hydroxy-6-methoxybenzoxazole-2(3H)-one

C8H7NO4 (181.0375)


   

2-(methoxycarbonyl)nicotinic acid

2-(methoxycarbonyl)nicotinic acid

C8H7NO4 (181.0375)


   

5-(trans-2-Carbamoyl-vinyl)-furan-2-carbonsaeure|5-(trans-2-carbamoyl-vinyl)-furan-2-carboxylic acid

5-(trans-2-Carbamoyl-vinyl)-furan-2-carbonsaeure|5-(trans-2-carbamoyl-vinyl)-furan-2-carboxylic acid

C8H7NO4 (181.0375)


   

DIBOA

2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

C8H7NO4 (181.0375)


A lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. Annotation level-3

   

2,7-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

2,7-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

C8H7NO4 (181.0375)


   

2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione

C8H7NO4 (181.0375)


   

3-BORONOBENZOTHIOAMIDE

3-BORONOBENZOTHIOAMIDE

C7H8BNO2S (181.0369)


   

(R)-(-)-1-(4-Fluorophenyl)Ethyl Isothiocyanate

(R)-(-)-1-(4-Fluorophenyl)Ethyl Isothiocyanate

C9H8FNS (181.0361)


   

Methyl 2-nitrobenzoate

Methyl 2-nitrobenzoate

C8H7NO4 (181.0375)


   

4-Aminophthalic acid

4-Aminophthalic acid

C8H7NO4 (181.0375)


   

2-Methoxy-4-nitrobenzaldehyde

2-Methoxy-4-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

2-Nitro-5-hydroxyacetophenone

2-Nitro-5-hydroxyacetophenone

C8H7NO4 (181.0375)


   

2-(Methoxycarbonyl)isonicotinic acid

2-(Methoxycarbonyl)isonicotinic acid

C8H7NO4 (181.0375)


   

2-Methylpyridine-3,5-dicarboxylic Acid

2-Methylpyridine-3,5-dicarboxylic Acid

C8H7NO4 (181.0375)


   

4-Hydroxy-3-Nitroacetophenone

4-Hydroxy-3-Nitroacetophenone

C8H7NO4 (181.0375)


   

2-Methyl-5-nitrobenzoic acid

2-Methyl-5-nitrobenzoic acid

C8H7NO4 (181.0375)


   

6-METHYL-2,3-PYRIDINEDICARBOXYLIC ACID

6-METHYL-2,3-PYRIDINEDICARBOXYLIC ACID

C8H7NO4 (181.0375)


   

Benzoic acid,4-methyl-2-nitro-

Benzoic acid,4-methyl-2-nitro-

C8H7NO4 (181.0375)


   

3-Methoxy-4-nitrobenzaldehyde

3-Methoxy-4-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

5-Methoxy-2-nitrobenzaldehyde

5-Methoxy-2-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

Ethyl 2-carboxypyridine-3-carboxylate

Ethyl 2-carboxypyridine-3-carboxylate

C8H7NO4 (181.0375)


   

2-methoxy-6-nitrobenzaldehyde

2-methoxy-6-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

3-Methoxy-2-nitrobenzaldehyde

3-Methoxy-2-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

4-Nitrophenylacetic acid

4-Nitrophenylacetic acid

C8H7NO4 (181.0375)


   

1-(3-Hydroxy-2-nitrophenyl)ethanone

1-(3-Hydroxy-2-nitrophenyl)ethanone

C8H7NO4 (181.0375)


   

1-(2-Hydroxy-5-nitrophenyl)ethanone

1-(2-Hydroxy-5-nitrophenyl)ethanone

C8H7NO4 (181.0375)


   

2,4-Pyridinecarboxylic acid, 4-methyl ester

2,4-Pyridinecarboxylic acid, 4-methyl ester

C8H7NO4 (181.0375)


   

2-Methyl-3-nitrobenzoic acid

2-Methyl-3-nitrobenzoic acid

C8H7NO4 (181.0375)


   

3-Methyl-4-nitrobenzoic acid

3-Methyl-4-nitrobenzoic acid

C8H7NO4 (181.0375)


   

2-Nitro-5-methylbenzoic acid

2-Nitro-5-methylbenzoic acid

C8H7NO4 (181.0375)


   

3-Methyl-2-nitrobenzoic acid

3-Methyl-2-nitrobenzoic acid

C8H7NO4 (181.0375)


   

2-methoxy-5-nitrobenzaldehyde

2-methoxy-5-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

2-Methyl-4-nitrobenzoic acid

2-Methyl-4-nitrobenzoic acid

C8H7NO4 (181.0375)


   

5-Methyl-2,3-pyridinedicarboxylic acid

5-Methyl-2,3-pyridinedicarboxylic acid

C8H7NO4 (181.0375)


   

3-Methyl-5-nitrobenzoic acid

3-Methyl-5-nitrobenzoic acid

C8H7NO4 (181.0375)


   

5-nitro-2,3-dihydro-1,4-benzodioxine

5-nitro-2,3-dihydro-1,4-benzodioxine

C8H7NO4 (181.0375)


   

4-(Methoxycarbonyl)nicotinic acid

4-(Methoxycarbonyl)nicotinic acid

C8H7NO4 (181.0375)


   

aminoterephthalic acid

aminoterephthalic acid

C8H7NO4 (181.0375)


   

5-Aminoisophthalic acid

5-Aminoisophthalic acid

C8H7NO4 (181.0375)


   

3-nitro-4-anisaldehyde

3-nitro-4-anisaldehyde

C8H7NO4 (181.0375)


   

2-hydroxy-3-methyl-5-nitrobenzaldehyde

2-hydroxy-3-methyl-5-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

6-(Methoxycarbonyl)nicotinic acid

6-(Methoxycarbonyl)nicotinic acid

C8H7NO4 (181.0375)


   

2-Methyl-6-nitrobenzoic acid

2-Methyl-6-nitrobenzoic acid

C8H7NO4 (181.0375)


   

2-aminoisophthalicacid

2-aminoisophthalicacid

C8H7NO4 (181.0375)


   

2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxylic acid

2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxylic acid

C8H7NO4 (181.0375)


   

4-Methoxy-2-nitrobenzaldehyde

4-Methoxy-2-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

5-(Methoxycarbonyl)-2-pyridinecarboxylic acid

5-(Methoxycarbonyl)-2-pyridinecarboxylic acid

C8H7NO4 (181.0375)


   

1-(2-hydroxy-4-nitrophenyl)ethanone

1-(2-hydroxy-4-nitrophenyl)ethanone

C8H7NO4 (181.0375)


   

Methyl 4-nitrobenzoate

Methyl 4-nitrobenzoate

C8H7NO4 (181.0375)


   

2-HYDROXY-1-(3-NITROPHENYL)-1-ETHANONE

2-HYDROXY-1-(3-NITROPHENYL)-1-ETHANONE

C8H7NO4 (181.0375)


   

2-Hydroxy-1-(4-nitrophenyl)-1-ethanone

2-Hydroxy-1-(4-nitrophenyl)-1-ethanone

C8H7NO4 (181.0375)


   

3-(Methoxycarbonyl)isonicotinic acid

3-(Methoxycarbonyl)isonicotinic acid

C8H7NO4 (181.0375)


   

3-Nitrophenylaceticacid

3-Nitrophenylacetic acid

C8H7NO4 (181.0375)


   

4-fluoro-alpha-methylbenzyl isothiocyanate

4-fluoro-alpha-methylbenzyl isothiocyanate

C9H8FNS (181.0361)


   

2-Nitrophenylacetic acid

(2-Nitrophenyl)acetic acid

C8H7NO4 (181.0375)


   

HOMOQUINOLINIC ACID

HOMOQUINOLINIC ACID

C8H7NO4 (181.0375)


   

Methyl 3-nitrobenzoate

Methyl 3-nitrobenzoate

C8H7NO4 (181.0375)


   

2-hydroxy-3-nitroacetophenone

2-hydroxy-3-nitroacetophenone

C8H7NO4 (181.0375)


   

6-AMINOBENZO[D][1,3]DIOXOLE-5-CARBOXYLIC ACID

6-AMINOBENZO[D][1,3]DIOXOLE-5-CARBOXYLIC ACID

C8H7NO4 (181.0375)


   

3-Methoxy-5-nitrobenzaldehyde

3-Methoxy-5-nitrobenzaldehyde

C8H7NO4 (181.0375)


   

4-Methyl-3-nitrobenzoic acid

4-Methyl-3-nitrobenzoic acid

C8H7NO4 (181.0375)


   

2-aminoterephthalic acid

2-aminoterephthalic acid

C8H7NO4 (181.0375)


   

1-(3-Hydroxy-4-nitrophenyl)-ethanone

1-(3-Hydroxy-4-nitrophenyl)-ethanone

C8H7NO4 (181.0375)


   

2,3-Dihydro-6-nitro-1,4-benzodioxin

2,3-Dihydro-6-nitro-1,4-benzodioxin

C8H7NO4 (181.0375)


   

2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

C8H7NO4 (181.0375)


   

3-Nitrophenyl acetate

3-Nitrophenyl acetate

C8H7NO4 (181.0375)


   

Carboxycarbamoyl phenol

Carboxycarbamoyl phenol

C8H7NO4 (181.0375)


   

5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid

5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid

C8H7NO4 (181.0375)


   

P-NITROPHENYLACETATE

4-Nitrophenyl acetate

C8H7NO4 (181.0375)


An acetate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid.

   

4-Hydroxy-3-nitrophenylacetaldehyde

4-Hydroxy-3-nitrophenylacetaldehyde

C8H7NO4 (181.0375)


   

Methylhydroxyformylpyridinecarboxylate

Methylhydroxyformylpyridinecarboxylate

C8H7NO4 (181.0375)


   

6-(methoxycarbonyl)pyridine-2-carboxylic acid

6-(methoxycarbonyl)pyridine-2-carboxylic acid

C8H7NO4 (181.0375)


   

4-[(1e)-2-nitroethenyl]benzene-1,2-diol

4-[(1e)-2-nitroethenyl]benzene-1,2-diol

C8H7NO4 (181.0375)


   

(2r)-2,4-dihydroxy-2h-1,4-benzoxazin-3-one

(2r)-2,4-dihydroxy-2h-1,4-benzoxazin-3-one

C8H7NO4 (181.0375)


   

4-(2-nitroethenyl)benzene-1,2-diol

4-(2-nitroethenyl)benzene-1,2-diol

C8H7NO4 (181.0375)