Exact Mass: 213.0021858
Exact Mass Matches: 213.0021858
Found 458 metabolites which its exact mass value is equals to given mass value 213.0021858,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
OMETHOATE
C5H12NO4PS (213.02246419999997)
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 3027
L-Aspartyl-4-phosphate
L-Aspartyl-4-phosphate belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from a reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Aspartyl-4-phosphate is a very strong basic compound (based on its pKa). L-Aspartyl-4-phosphate is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. L-Aspartyl-4-phosphate is produced from a reaction between L-aspartate and ATP, with ADP as a byproduct. The reaction is catalyzed by aspartate kinase. L-Aspartyl-4-phosphate reacts with NADPH to produce phosphate, L-aspartate-semialdehyde, and NADP+. Aspartate-semialdehyde dehydrogenase catalyzes this reaction. L-Aspartyl-4-phosphate is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
Selenomethionine se-oxide
C5H11NO3Se (212.99041060000002)
This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
Carmustine
Carmustine is a cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent Isolated from the common clam Mercenaria mercenaria and from Mercenaria campechiensis D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
2-amino-3-oxo-4-(phosphonooxy)butanoic acid
An alpha-amino acid that consists of 2-amino-3-oxo-4-hydroxybutanoic acid in which the hydrogen of the hydroxy function is substituted by a phospho group.
4-hydroxylamino-2,6-dinitrotoluene
4-hydroxylamino-2,6-dinitrotoluene, also known as 4-hadnt, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 4-hydroxylamino-2,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxylamino-2,6-dinitrotoluene can be found in a number of food items such as elderberry, pigeon pea, tea leaf willow, and tree fern, which makes 4-hydroxylamino-2,6-dinitrotoluene a potential biomarker for the consumption of these food products.
2-hydroxylamino-4,6-dinitrotoluene
2-hydroxylamino-4,6-dinitrotoluene, also known as 2-hadnt or 4,6-dinitro-2-hydroxylaminotoluene, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 2-hydroxylamino-4,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxylamino-4,6-dinitrotoluene can be found in a number of food items such as rye, jujube, komatsuna, and allspice, which makes 2-hydroxylamino-4,6-dinitrotoluene a potential biomarker for the consumption of these food products.
3-Indoxyl sulfate
Indoxyl sulfate is a dietary protein metabolite and also a metabolite of the common amino acid tryptophan. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). It is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well-known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress. In vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblast function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell (PMID: 10681668 , 14681860 , 17471003 , 17403109). Indoxyl sulfate is a microbial metabolite found in Escherichia (PMID: 19946322). Indoxyl sulfate is a dietary protein metabolite, and also the metabolite of the common amino acid tryptophan. Indoxyl sulfate is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress; in vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells, and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblst function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell. (PMID: 10681668, 14681860, 17471003, 17403109) [HMDB]
Chloroxine
Chloroxine is only found in individuals that have used or taken this drug. It is a synthetic antibacterial compound. Chloroxine is a compound used in some shampoos for the treatment of dandruff and seborrheic dermatitis of the scalp.Although the mechanism of action is not understood, chloroxine may slow down mitotic activity in the epidermis, thereby reducing excessive scaling associated with dandruff or seborrheic dermatitis of the scalp. Chloroxine induces SOS-DNA repair in E. coli, so chloroxine may be genotoxic to bacteria. C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
m-Chlorohippuric acid
m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans (PMID: 3107223) [HMDB] m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans (PMID: 3107223).
N-Lactoyl ethanolamine phosphate
N-Lactoyl ethanolamine phosphate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
6-Hydroxyindole sulfate
6-Hydroxyindole sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 6-Hydroxyindole sulfate has been identified in blood (PMID: 31250215).
7-Hydroxyindole sulfate
7-Hydroxyindole sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 7-Hydroxyindole sulfate is a uremic toxin (PMID: 30087103).
Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
Indoxyl sulfate
Indoxyl sulfate is an aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. It has a role as a human metabolite. It is a member of indoles and an aryl sulfate. A substance occurring in the urine of mammals and also in blood plasma as the normal metabolite of tryptophan. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan. It is functionally related to an indoxyl. It is a conjugate acid of an indoxyl sulfate(1-). Indoxyl sulfate is a natural product found in Strobilanthes cusia, Calanthe discolor, and other organisms with data available. Indoxyl sulfate is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Indoxyl sulfate is a dietary protein metabolite, and also the metabolite of the common amino acid tryptophan. Indoxyl sulfate is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress; in vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells, and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblst function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell. (A3273, A3274, A3275, A3276).
chloroxine
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
ETHYL 6,7-DIHYDRO-4H-PYRANO[4,3-D]-1,3-THIAZOLE-2-CARBOXYLATE
2-ACETYLAMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID
2-Trifluoromethyl-1H-quinolin-4-one
C10H6F3NO (213.04014619999998)
POTASSIUM TRIFLUORO(4-FORMYLPYRIDIN-3-YL)BORATE
C6H4BF3KNO (212.99750999999998)
6-Bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one
C6H4BrN3O (212.95377139999997)
Methyl 7-chloro-2,3-dihydrobenzo[d]oxazole-2-carboxylate
N-(3,5-DIMETHYLPHENYL)-N-METHYLTHIOCARBAMOYLCHLORIDE
C10H12ClNS (213.03789419999998)
3-Bromopyrazolo[1,5-a]pyrimidin-5(4H)-one
C6H4BrN3O (212.95377139999997)
5-(4-FLUOROPHENYL)-1H-PYRAZOL-3-AMINE HYDROCHLORIDE
4-(4-(Trifluoromethyl)phenyl)oxazole
C10H6F3NO (213.04014619999998)
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
BENZO[B]THIOPHEN-2-YLMETHYL-METHYL-AMMONIUM CHLORIDE
C10H12ClNS (213.03789419999998)
2-Hydroxy-4-(trifluoromethyl)quinoline
C10H6F3NO (213.04014619999998)
methyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
3-Chloro-4-fluoro-5-(trifluoromethyl)aniline
C7H4ClF4N (212.99683819999998)
2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
4-fluorobenzylsulfonylacetonitrile
C9H8FNO2S (213.02597599999999)
5-(2-Amino-1-chloro-2-oxoethyl)-1,3-benzodioxole, 2-Chloro-2-[3,4-(methylenedioxy)phenyl]acetamide
azetidin-1-yl-(3-chloro-4-fluorophenyl)methanone
C10H9ClFNO (213.03566659999998)
2-(Chloromethyl)quinoline hydrochloride
C10H9Cl2N (213.01120139999998)
7-Bromo-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
C6H4BrN3O (212.95377139999997)
4-CHLORO-2-METHYLQUINOLINEHYDROCHLORIDE
C10H9Cl2N (213.01120139999998)
1-(chloromethyl)isoquinoline,hydrochloride
C10H9Cl2N (213.01120139999998)
Benzeneacetic acid, 5-fluoro-2-nitro-, Methyl ester
2H-Benzimidazol-2-one, 4-chloro-1,3-dihydro-6-nitro-
2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETONITRILE
2-chlorobenzaldehyde thiosemicarbazone
C8H8ClN3S (213.01274379999998)
5-(Trifluoromethyl)-1H-indole-3-carbaldehyde
C10H6F3NO (213.04014619999998)
5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-ol
C6H4BrN3O (212.95377139999997)
5H-Pyrazolo[4,3-b]pyridin-5-one,3-bromo-1,4-dihydro-
C6H4BrN3O (212.95377139999997)
3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
C10H6F3NO (213.04014619999998)
4-(Trifluoromethyl)benzoylacetonitrile
C10H6F3NO (213.04014619999998)
Hydrazinecarbothioamide,2-[(4-chlorophenyl)methylene]-
C8H8ClN3S (213.01274379999998)
5-amino-2,3-dihydrophthalazine-1,4-dione,hydrochloride
2,2,2-Trifluoro-1-(1H-indol-5-yl)ethanone
C10H6F3NO (213.04014619999998)
5-Acetyl-2-methyl-4-thiazolecarboxylic acid ethyl ester
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
C6H4BrN3O (212.95377139999997)
5-BROMO-2H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE
C6H4BrN3O (212.95377139999997)
3-bromo-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium
5-(AMINOOXY)PENTANOIC ACID, HYDROBROMIDE
C5H12BrNO3 (213.00005019999998)
Ketone, indol-3-yl-trifluoromethyl-
C10H6F3NO (213.04014619999998)
methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate
[2-(1-Benzothien-2-yl)ethyl]amine hydrochloride
C10H12ClNS (213.03789419999998)
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-one dihydrochloride
2-(Trifluoromethyl)benzoylacetonitrile
C10H6F3NO (213.04014619999998)
2-Chloro-4-(4-fluorophenyl)-1,3-thiazole
C9H5ClFNS (212.98152520000002)
6-BroMo[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
C6H4BrN3O (212.95377139999997)
3-(CHLOROMETHYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-1,2,4-OXADIAZOLE
5-(3-(Trifluoromethyl)phenyl)oxazole
C10H6F3NO (213.04014619999998)
4-(TRIFLUOROMETHOXY)ANILINE HYDROCHLORIDE
C7H7ClF3NO (213.01682379999997)
5-Chloro-4-fluoro-1H-indole-2-carboxylic acid
C9H5ClFNO2 (212.99928320000004)
7-chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-carboxylic acid
N-(2,4-DICHLOROBENZYL)PROPARGYLAMINE
C10H9Cl2N (213.01120139999998)
4,4,4-TRIFLUORO-2-HYDROXYLIMINO-3-OXOBUTYRIC ACID ETHYL ESTER
C6H6F3NO4 (213.02489119999998)
2-[(3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-yl)amino]ethanol
C7H8ClN5O (213.04173479999997)
4-(2-Chloro-6-fluorophenyl)-2-pyrrolidinone
C10H9ClFNO (213.03566659999998)
2-PHENYL-2-(TRIFLUOROACETYL)ACETONITRILE
C10H6F3NO (213.04014619999998)
2-(chloromethyl)-4H-1,4-benzothiazin-3-one
C9H8ClNOS (213.00151079999998)
Benzothiazole, 2-(chloromethyl)-4-methoxy- (9CI)
C9H8ClNOS (213.00151079999998)
7-Bromo-1,3-dihydroimidazo[4,5-c]pyridin-2-one
C6H4BrN3O (212.95377139999997)
2-(chloromethyl)-6-methoxy-1,3-benzothiazole
C9H8ClNOS (213.00151079999998)
2-chloromethyl-3-fluoro-5-(trifluoromethyl)-pyridine
C7H4ClF4N (212.99683819999998)
6-chloro-5-methoxy-2-methyl-benzothiazole
C9H8ClNOS (213.00151079999998)
2-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE
C6H7ClF3N3 (213.02805679999997)
8-(trifluoroMethyl)isoquinolin-3-ol
C10H6F3NO (213.04014619999998)
6-(Trifluoromethyl)isoquinolin-1(2H)-one
C10H6F3NO (213.04014619999998)
2-(CYCLOPROPYLCARBONYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
C9H11NOS2 (213.02820359999998)
PYRIDINE, 4-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL]-
3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
IMIDAZO[1,2-A]PYRIMIDINE-2-ACETIC ACID HYDROCHLORIDE
4-(CHLOROMETHYL)QUINOLINE HYDROCHLORIDE
C10H9Cl2N (213.01120139999998)
L-Histidinol dihydrochloride
L-Histidinol dihydrochloride is an endogenous metabolite.
5-Bromo-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
C6H4BrN3O (212.95377139999997)
2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one
C6H4BrN3O (212.95377139999997)
POTASSIUM TRIFLUORO(5-FORMYLPYRIDIN-3-YL)BORATE
C6H4BF3KNO (212.99750999999998)
POTASSIUM TRIFLUORO(6-FORMYLPYRIDIN-3-YL)BORATE
C6H4BF3KNO (212.99750999999998)
3-(Chloromethyl)isoquinoline hydrochloride
C10H9Cl2N (213.01120139999998)
Phosphonic acid, (3-(acetylhydroxyamino)-2-hydroxypropyl)-, (R)-
o-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Methyl 2-({5-nitro-2-furyl}methylene)hydrazinecarboxylate
(Z)-3-hydroxypropyl-N-(sulfonatooxy)methanimidothioate
C4H7NO5S2-2 (212.97656519999998)
carmustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Aspartyl phosphate
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
(2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid
An optically active form of 2-amino-3-oxo-4-(phosphonooxy)butanoic acid having (2S)-configuration.
4-Hydroxylamino-2,6-dinitrotoluene
A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
2-Hydroxylamino-4,6-dinitrotoluene
A member of the class of nitrotoluenes that is 4,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 2.
4-(phosphonatooxy)-L-threonine(2-)
Conjugate base of 4-(phosphonooxy)-L-threonine.
4-O-phosphonato-D-erythronate(3-)
Trianion of 4-phospho-D-erythronic acid arising from deprotonation of phosphate and carboxylic acid functions.
sulfacetamide(1-)
An organic nitrogen anion that is the conjugate base of sulfacetamide arising from deprotonation of the N-acylsulfonamide function.