Exact Mass: 196.0558

Exact Mass Matches: 196.0558

Found 290 metabolites which its exact mass value is equals to given mass value 196.0558, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

1,7-dimethylurate

2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one

C7H8N4O3 (196.0596)


1,7 dimethyluric acid is the major urinary caffeine metabolites that is produced in the human body. 1,7 dimethyluric acid is formed during metabolism of caffeine and the process is catalyzed primarily by CYP2A6. (PMID: 18715882) [HMDB] 1,7-Dimethyluric acid is the major urinary caffeine metabolite that is produced in the human body. 1,7-Dimethyluric acid is formed during caffeine metabolism and the process is catalyzed primarily by CYP2A6 (PMID: 18715882).

   

3,7-Dimethyluric acid

3,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


3,7-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3,7-Dimethyluric is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 3,7-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3,7-Dimethyluric is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis (PMID:11712316, 15833286, 3506820, 15013152).

   

Gluconic acid

(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic acid

C6H12O7 (196.0583)


Gluconic acid, also known as D-gluconic acid, D-gluconate or (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid (also named dextronic acid), is the C1-oxidized form of D-glucose where the aldehyde group has become oxidized to the corresponding carboxylic acid. Gluconic acid belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. In aqueous solution, gluconic acid exists in equilibrium with the cyclic ester glucono delta-lactone. Gluconic acid occurs naturally in fruit, honey, kombucha tea and wine. The salts of gluconic acid are known as "gluconates". Gluconic acid, gluconate salts, and gluconate esters occur widely in nature because such species arise from the oxidation of glucose. Gluconic acid exists in all living species, ranging from bacteria to plants to humans. The metabolism of gluconate is well characterized in prokaryotes where it is known to be degraded following phosphorylation by gluconokinase. Glucokinase activity has also been detected in mammals, including humans (PMID: 24896608). Gluconic acid is produced in the gluconate shunt pathway. In the gluconate shunt, glucose is oxidized by glucose dehydrogenase (also called glucose oxidase) to furnish gluconate, the form in which D-gluconic acid is present at physiological pH. Subsequently, gluconate is phosphorylated by the action of gluconate kinase to produce 6-phosphogluconate, which is the second intermediate of the pentose phosphate pathway. This gluconate shunt is mainly found in plants, algae, cyanobacteria and some bacteria, which all use the Entner–Doudoroff pathway to degrade glucose or gluconate; this generates 2-keto-3-deoxygluconate-6-phosphate, which is then cleaved to generate pyruvate and glyceraldehyde 3-phosphate. Glucose dehydrogenase and gluconate kinase activities are also present in mammals, fission yeast, and flies. Gluconic acid has many industrial uses. It is used as a drug as part of electrolyte supplementation in total parenteral nutrition. It is also used in cleaning products where it helps cleaning up mineral deposits. Gluconic acid or Gluconic acid is used to maintain the cation-anion balance on electrolyte solutions. In humans, gluconic acid is involved in the metabolic disorder called the transaldolase deficiency. Gluconic acid has been found to be a metabolite in Aspergillus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). [Spectral] D-Gluconic acid (exact mass = 196.0583) and Guanine (exact mass = 151.04941) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Dietary supplement, acidity regulator approved in Japan. Component of bottle rinsing formulations Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G031

   

Hemipyocyanine

1-Hydroxyphenanzine

C12H8N2O (196.0637)


CONFIDENCE standard compound; INTERNAL_ID 186

   

Hamamelose

(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoic acid

C6H12O7 (196.0583)


   

4-Hydroxy-9-fluorenone

4-Hydroxy-9-fluorenone

C13H8O2 (196.0524)


   

6,7-Benzocoumarin

6,7-Benzocoumarin

C13H8O2 (196.0524)


   

Galactonate

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 (196.0583)


Galactonic acid is a sugar acid that is a metabolic breakdown product of galactose. Galactose dehydrogenase is responsible for converting galactose to galactonolactone, which then spontaneously or enzymatically converts to galactonic acid. Once formed, galactonic acid may enter the pentose phosphate pathway. Galactonic acid is increased in red blood cells of galactosemic patients, due to a galactose-1-phosphate uridyltransferase (GALT) deficiency (PMID: 14680973, OMMBID: The Online Metabolic and Molecular Bases of Inherited Disease, Ch.72). When present in sufficiently high levels, galactonic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of galactonic acid are associated with at least two inborn errors of metabolism, including galactosemia and galactosemia type II. Galactonic acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, liver abnormalities (jaundice), kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated galactosemia. Many affected children with organic acidemias experience intellectual disability or delayed development. High levels of galactonic acid in infants are specifically associated with hepatomegaly (an enlarged liver), cirrhosis, renal failure, cataracts, vomiting, seizure, hypoglycemia, lethargy, brain damage, and ovarian failure. Galactonate is increased in red blood cells of galactosemic patients, due to a galactose-1-phosphate uridyltransferase (GALT) deficiency ((PMID 14680973, OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.72) [HMDB]

   

Gulonate

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 (196.0583)


Gulonic acid, also known as gulonate, belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.It is a gulonic acid having D-configuration. Reduction product of glucuronic acid; oxidation product of l-gulose [HMDB]

   

D-Mannonic acid

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 (196.0583)


   

L-Gluconic acid

2,3,4,5,6-Pentahydroxyhexanoic acid

C6H12O7 (196.0583)


   

Altronic acid

D-altronic acid

C6H12O7 (196.0583)


The D-enantiomer of altronic acid.

   

L-idonic acid

L-idonic acid

C6H12O7 (196.0583)


The L-enantiomer of idonic acid.

   

Xanthone

InChI=1/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8

C13H8O2 (196.0524)


Xanthone is the parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. It has a role as an insecticide. Xanthone is a natural product found in Harungana madagascariensis, Garcinia dulcis, and other organisms with data available. Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1]. Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1].

   

1,3-dimethylurate

1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152, 4039734) [HMDB] 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID:11712316, 15833286, 3506820, 15013152, 4039734). 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.

   

1,9-Dimethyluric acid

1,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


1,9-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 1,9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 1,9-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 1,9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID:11712316, 15833286, 3506820, 15013152).

   

3,9-Dimethyluric acid

3,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


3,9-Dimethyluric acid is involved in purine oxidation pathways. Reevaluation of products derived from 3,9-dimethyluric acid in a chlorination-reductive dechlorinaton sequence has demonstrated unequivocally that they are not purines.(PMID 14601976)

   

7,9-Dimethyluric acid

7,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


7,9-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 7,9-Dimethyluracil is one of the purine component in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820) [HMDB] 7,9-Dimethyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 7,9-Dimethyluracil is one of the purine component in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820).

   

3-(4-Fluorobenzoyl)propionic acid

(18F)-beta-(4-Fluorobenzoyl)propionic acid

C10H9FO3 (196.0536)


   

Alafosfalin

[1-(2-aminopropanamido)ethyl]phosphonic acid

C5H13N2O4P (196.0613)


   

XANTHONE

Dibenzo[b,e]pyran-10-one

C13H8O2 (196.0524)


Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1]. Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1].

   

2-Carboxyarabinitol

2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoic acid

C6H12O7 (196.0583)


2-carboxyarabinitol is a member of the class of compounds known as hydroxy fatty acids. Hydroxy fatty acids are fatty acids in which the chain bears a hydroxyl group. 2-carboxyarabinitol is soluble (in water) and a weakly acidic compound (based on its pKa). 2-carboxyarabinitol can be found in a number of food items such as tarragon, dandelion, ginkgo nuts, and spinach, which makes 2-carboxyarabinitol a potential biomarker for the consumption of these food products.

   

gluconic acid

D-gluconic acid

C6H12O7 (196.0583)


   

2-Hydroxy-1H-phenalen-1-one

2-Hydroxy-1H-phenalen-1-one

C13H8O2 (196.0524)


   

3-(4-Fluorobenzoyl)propionic acid

3-(4-Fluorobenzoyl)propionic acid

C10H9FO3 (196.0536)


   

Xanthone

Xanthone

C13H8O2 (196.0524)


CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9192; ORIGINAL_PRECURSOR_SCAN_NO 9189 CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9263; ORIGINAL_PRECURSOR_SCAN_NO 9262 CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9231 CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9258; ORIGINAL_PRECURSOR_SCAN_NO 9255 CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9245; ORIGINAL_PRECURSOR_SCAN_NO 9242 CONFIDENCE standard compound; INTERNAL_ID 198; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9280; ORIGINAL_PRECURSOR_SCAN_NO 9279 Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1]. Xanthone is isolated from Mangosteen and is known to control cell division and growth, apoptosis, inflammation, and metastasis in different stages of carcinogenesis. Xanthone has anti-oxidant, anti-tumor, anti-allergic, anti-inflammatory, anti-bacterial, anti-fungal, and anti-viral activities[1].

   

2-Hydroxyphenazine

2-Hydroxyphenanzine

C12H8N2O (196.0637)


CONFIDENCE standard compound; INTERNAL_ID 185 INTERNAL_ID 185; CONFIDENCE standard compound

   

5-(6,8-Nona-2,4-diynylidene)-2(5H)-furanone

5-(6,8-Nona-2,4-diynylidene)-2(5H)-furanone

C13H8O2 (196.0524)


   

1,2-Dihydroxy-tridecapentain-(3,5,7,9,11)|3,5,7,9,11-Tridecapentayne-1,2-diol|trideca-3,5,7,9,11-pentayne-1,2-diol|Tridecapentain-(3,5,7,9,11)-diol-(1,2)

1,2-Dihydroxy-tridecapentain-(3,5,7,9,11)|3,5,7,9,11-Tridecapentayne-1,2-diol|trideca-3,5,7,9,11-pentayne-1,2-diol|Tridecapentain-(3,5,7,9,11)-diol-(1,2)

C13H8O2 (196.0524)


   
   

9H-pyrido[3,4-b]indole-1-carbaldehyde

9H-pyrido[3,4-b]indole-1-carbaldehyde

C12H8N2O (196.0637)


   

Perlolidine

Perlolidine

C12H8N2O (196.0637)


   

n-carbamoyl-2,3-dihydroxybenzamide

n-carbamoyl-2,3-dihydroxybenzamide

C8H8N2O4 (196.0484)


   

hydroxyphenalenone

hydroxyphenalenone

C13H8O2 (196.0524)


   

SAMOQUASINE A

SAMOQUASINE A

C12H8N2O (196.0637)


   

1,3-Dimethylurate

1,3-Dimethyluric acid

C7H8N4O3 (196.0596)


Acquisition and generation of the data is financially supported in part by CREST/JST. 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.

   

1,9-Dimethyluric acid

7,9-dihydro-1,9-Dimethyl-1H-purine-2,6,8(3H)-trione

C7H8N4O3 (196.0596)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.252 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.253 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.246 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.247

   

D-GULONIC ACID GAMA-LACTONE

D-GULONIC ACID GAMA-LACTONE

C6H12O7 (196.0583)


   

D-gluconate

D-gluconate

C6H12O7 (196.0583)


   

D-gluconic acid

D-Gluconic acid sodium salt

C6H12O7 (196.0583)


A gluconic acid having D-configuration.

   

4-Fluorobenzoylpropionic acid

3-(4-Fluorobenzoyl)propionic acid

C10H9FO3 (196.0536)


CONFIDENCE standard compound; INTERNAL_ID 2724 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8543

   

Galactonic acid

Galactonic acid

C6H12O7 (196.0583)


   

1,3-Dimethyluric acid

1,3-Dimethyluric acid

C7H8N4O3 (196.0596)


An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.

   

3,7-Dimethyluric acid

3,7-Dimethyluric acid

C7H8N4O3 (196.0596)


An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7.

   

Gulonic acid

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 (196.0583)


   

1,7-Dimethyluric acid

1,7-Dimethyluric acid

C7H8N4O3 (196.0596)


An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.

   

Sodium gluconate

Sodium gluconate

C6H12O7 (196.0583)


   

1,3-Dimethyluric acid; LC-tDDA; CE10

1,3-Dimethyluric acid; LC-tDDA; CE10

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; LC-tDDA; CE20

1,3-Dimethyluric acid; LC-tDDA; CE20

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; LC-tDDA; CE30

1,3-Dimethyluric acid; LC-tDDA; CE30

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; LC-tDDA; CE40

1,3-Dimethyluric acid; LC-tDDA; CE40

C7H8N4O3 (196.0596)


   

Gluconic acid; LC-tDDA; CE10

Gluconic acid; LC-tDDA; CE10

C6H12O7 (196.0583)


   

Gluconic acid; LC-tDDA; CE20

Gluconic acid; LC-tDDA; CE20

C6H12O7 (196.0583)


   

Gluconic acid; LC-tDDA; CE30

Gluconic acid; LC-tDDA; CE30

C6H12O7 (196.0583)


   

Gluconic acid; LC-tDDA; CE40

Gluconic acid; LC-tDDA; CE40

C6H12O7 (196.0583)


   

1,7-Dimethyluric acid; LC-tDDA; CE10

1,7-Dimethyluric acid; LC-tDDA; CE10

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; LC-tDDA; CE20

1,7-Dimethyluric acid; LC-tDDA; CE20

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; LC-tDDA; CE30

1,7-Dimethyluric acid; LC-tDDA; CE30

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; LC-tDDA; CE40

1,7-Dimethyluric acid; LC-tDDA; CE40

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; AIF; CE10; CorrDec

1,7-Dimethyluric acid; AIF; CE10; CorrDec

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; AIF; CE30; CorrDec

1,7-Dimethyluric acid; AIF; CE30; CorrDec

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; AIF; CE0; MS2Dec

1,7-Dimethyluric acid; AIF; CE0; MS2Dec

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; AIF; CE10; MS2Dec

1,7-Dimethyluric acid; AIF; CE10; MS2Dec

C7H8N4O3 (196.0596)


   

1,7-Dimethyluric acid; AIF; CE30; MS2Dec

1,7-Dimethyluric acid; AIF; CE30; MS2Dec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE0; CorrDec

1,3-Dimethyluric acid; AIF: CE0; CorrDec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE10; CorrDec

1,3-Dimethyluric acid; AIF: CE10; CorrDec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE30; CorrDec

1,3-Dimethyluric acid; AIF: CE30; CorrDec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE0; MS2Dec

1,3-Dimethyluric acid; AIF: CE0; MS2Dec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE10; MS2Dec

1,3-Dimethyluric acid; AIF: CE10; MS2Dec

C7H8N4O3 (196.0596)


   

1,3-Dimethyluric acid; AIF: CE30; MS2Dec

1,3-Dimethyluric acid; AIF: CE30; MS2Dec

C7H8N4O3 (196.0596)


   

gluconate

D-gluconic acid

C6H12O7 (196.0583)


   

B-(4-Fluorobenzoyl)propionic acid

B-(4-Fluorobenzoyl)propionic acid

C10H9FO3 (196.0536)


   

Oxytheophylline

1,3-dimethyl-7,9-dihydropurine-2,6,8-trione

C7H8N4O3 (196.0596)


1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.

   

3-sulfopropyltrimethylsilane

3-sulfopropyltrimethylsilane

C6H16O3SSi (196.0589)


   

7,9-Dimethyluric acid

7,9-dihydro-7,9-Dimethyl-1H-purine-2,6,8(3H)-trione

C7H8N4O3 (196.0596)


   

3,9-dimethyluric acid

3,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C7H8N4O3 (196.0596)


   

1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline

1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline

C12H8N2O (196.0637)


   

4-(3-FLUOROPHENYL)-4-OXOBUTYRIC ACID

4-(3-FLUOROPHENYL)-4-OXOBUTYRIC ACID

C10H9FO3 (196.0536)


   

ethyl 5-nitropyridine-3-carboxylate

ethyl 5-nitropyridine-3-carboxylate

C8H8N2O4 (196.0484)


   

Trimethoxysilylpropanethiol

Trimethoxysilylpropanethiol

C6H16O3SSi (196.0589)


   

(S)-3,6-DIAMINO-6-OXOHEXANOIC ACID HYDROCHLORIDE

(S)-3,6-DIAMINO-6-OXOHEXANOIC ACID HYDROCHLORIDE

C6H13ClN2O3 (196.0615)


   

4-tert-Butylbenzoyl chloride

4-tert-Butylbenzoyl chloride

C11H13ClO (196.0655)


   

1,5-dimethyl-2,3-dinitrobenzene

1,5-dimethyl-2,3-dinitrobenzene

C8H8N2O4 (196.0484)


   

2-Hydroxy-9H-fluoren-9-one

2-Hydroxy-9H-fluoren-9-one

C13H8O2 (196.0524)


   

Diethylphosphonoacetic acid

Diethylphosphonoacetic acid

C6H13O5P (196.0501)


   

Amino(3-nitrophenyl)acetic acid

Amino(3-nitrophenyl)acetic acid

C8H8N2O4 (196.0484)


   

3-(4-methylsulfanylphenyl)propanoic acid

3-(4-methylsulfanylphenyl)propanoic acid

C10H12O2S (196.0558)


   

2-Hydroxy(2H4)propane-1,2,3-tricarboxylic acid

2-Hydroxy(2H4)propane-1,2,3-tricarboxylic acid

C6H4D4O7 (196.0521)


   

4-chloro-4-methylbutyrophenone

4-chloro-4-methylbutyrophenone

C11H13ClO (196.0655)


   

Methyl 4-Fluorobenzoylacetate

Methyl 4-Fluorobenzoylacetate

C10H9FO3 (196.0536)


   

2-chloro-1-(2,5-dimethylphenyl)propan-1-one

2-chloro-1-(2,5-dimethylphenyl)propan-1-one

C11H13ClO (196.0655)


   

(2E)-3-(2-Fluoro-5-methoxyphenyl)acrylic acid

(2E)-3-(2-Fluoro-5-methoxyphenyl)acrylic acid

C10H9FO3 (196.0536)


   

Methyl 4-amino-3-nitrobenzoate

Methyl 4-amino-3-nitrobenzoate

C8H8N2O4 (196.0484)


   

4-Butylbenzoyl chloride

4-Butylbenzoyl chloride

C11H13ClO (196.0655)


   

2-fluoro-4-methoxycinnamic acid

2-fluoro-4-methoxycinnamic acid

C10H9FO3 (196.0536)


   

4-fluoro-3-methoxycinnamic acid

4-fluoro-3-methoxycinnamic acid

C10H9FO3 (196.0536)


   

6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

C10H12O2S (196.0558)


   

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

C10H12O2S (196.0558)


   

3-Methoxy-4-nitrobenzamide

3-Methoxy-4-nitrobenzamide

C8H8N2O4 (196.0484)


   

DIMETHYL[2-(METHOXYCARBONYL)ETHYL]PHOSPHONATE

DIMETHYL[2-(METHOXYCARBONYL)ETHYL]PHOSPHONATE

C6H13O5P (196.0501)


   

3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid

3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid

C10H9FO3 (196.0536)


   

aviglycine hydrochloride

aviglycine hydrochloride

C6H13ClN2O3 (196.0615)


   

H-Gly-Gly-OEt · HCl

H-Gly-Gly-OEt · HCl

C6H13ClN2O3 (196.0615)


   
   

3-(Methylamino)-4-nitrobenzoic acid

3-(Methylamino)-4-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

7-Fluoro-6-nitro-1,2,3,4-tetrahydroisoquinoline

7-Fluoro-6-nitro-1,2,3,4-tetrahydroisoquinoline

C9H9FN2O2 (196.0648)


   

2-(Phenethylthio)acetic acid

(2-PHENYL-1-BENZOFURAN-5-YL)AMINE

C10H12O2S (196.0558)


   

1H-Benzo[1,2-d:3,4-d:5,6-d]triimidazole(9CI)

1H-Benzo[1,2-d:3,4-d:5,6-d]triimidazole(9CI)

C9H4N6 (196.0497)


   

1,4 DI METHYL 2,5- DI NITRO BENZENE

1,4 DI METHYL 2,5- DI NITRO BENZENE

C8H8N2O4 (196.0484)


   

4-(Methylamino)-3-nitrobenzoic acid

4-(Methylamino)-3-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

METHYL 2-FLUOROBENZOYLACETATE

METHYL 2-FLUOROBENZOYLACETATE

C10H9FO3 (196.0536)


   

3-Borono-4-methoxybenzoic acid

3-Borono-4-methoxybenzoic acid

C8H9BO5 (196.0543)


   

N-(p-NITROPHENYL)GLYCINE

N-(p-NITROPHENYL)GLYCINE

C8H8N2O4 (196.0484)


   

3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-5-phenyl-

3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-5-phenyl-

C12H8N2O (196.0637)


   

(S)-2-AMINO-2-(4-NITROPHENYL)ACETIC ACID

(S)-2-AMINO-2-(4-NITROPHENYL)ACETIC ACID

C8H8N2O4 (196.0484)


   

(2E)-3-(2-Fluoro-4-methoxyphenyl)acrylic acid

(2E)-3-(2-Fluoro-4-methoxyphenyl)acrylic acid

C10H9FO3 (196.0536)


   

6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID

6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID

C10H12O2S (196.0558)


   

2-Naphthyl propiolate

2-Naphthyl propiolate

C13H8O2 (196.0524)


   

6-Phosphonohexanoic acid

6-Phosphonohexanoic acid

C6H13O5P (196.0501)


   

1-PROPARGYLPIPERAZINE

1-PROPARGYLPIPERAZINE

C7H14Cl2N2 (196.0534)


   

Benzoic acid 3-fluoro-2-oxopropyl ester

Benzoic acid 3-fluoro-2-oxopropyl ester

C10H9FO3 (196.0536)


   

Diethyl difluoromalonate

Diethyl difluoromalonate

C7H10F2O4 (196.0547)


   

1,2-Dimethyl-3,5-dinitrobenzene

1,2-Dimethyl-3,5-dinitrobenzene

C8H8N2O4 (196.0484)


   

1,5-Dimethyl-2,4-dinitrobenzene

1,5-Dimethyl-2,4-dinitrobenzene

C8H8N2O4 (196.0484)


   

Phenazine, 5-oxide

Phenazine, 5-oxide

C12H8N2O (196.0637)


   

3-(Dihydroxyboryl)-2-methoxybenzoic acid

3-(Dihydroxyboryl)-2-methoxybenzoic acid

C8H9BO5 (196.0543)


   

Benzo[c]cinnoline,5-oxide

Benzo[c]cinnoline,5-oxide

C12H8N2O (196.0637)


   

(1R)-1-(6-Fluoro-1,3-benzothiazol-2-yl)ethanamine

(1R)-1-(6-Fluoro-1,3-benzothiazol-2-yl)ethanamine

C9H9FN2S (196.047)


   

(2,4-DI-TERT-BUTYLPHENOXY)ACETICACID

(2,4-DI-TERT-BUTYLPHENOXY)ACETICACID

C10H12O2S (196.0558)


   

6-PHENOXYNICOTINONITRILE

6-PHENOXYNICOTINONITRILE

C12H8N2O (196.0637)


   

PROPANOIC ACID, 2-METHYL-2-(PHENYLTHIO)-

PROPANOIC ACID, 2-METHYL-2-(PHENYLTHIO)-

C10H12O2S (196.0558)


   

8]naphthyridin-6(5H)-one

8]naphthyridin-6(5H)-one

C12H8N2O (196.0637)


   

5-Chloro-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine

5-Chloro-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C8H9ClN4 (196.0516)


   

CHEMPACIFIC 39947

CHEMPACIFIC 39947

C12H8N2O (196.0637)


   

Methyl 2-methyl-5-nitronicotinate

Methyl 2-methyl-5-nitronicotinate

C8H8N2O4 (196.0484)


   

2-amino-2-(2-nitrophenyl)acetic acid

2-amino-2-(2-nitrophenyl)acetic acid

C8H8N2O4 (196.0484)


   

Methyl 2-dimethoxyphosphorylpropanoate

Methyl 2-dimethoxyphosphorylpropanoate

C6H13O5P (196.0501)


   

1-TRIFLUOROMETHYL-NAPHTHALENE

1-TRIFLUOROMETHYL-NAPHTHALENE

C11H7F3 (196.05)


   

3-[tris(hydroxymethyl)phosphaniumyl]propanoate

3-[tris(hydroxymethyl)phosphaniumyl]propanoate

C6H13O5P (196.0501)


   

5-Borono-2-methoxybenzoic acid

5-Borono-2-methoxybenzoic acid

C8H9BO5 (196.0543)


   

ethyl 3-nitropyridine-2-carboxylate

ethyl 3-nitropyridine-2-carboxylate

C8H8N2O4 (196.0484)


   

(4-NITROPYRIDIN-2-YL)METHYL ACETATE

(4-NITROPYRIDIN-2-YL)METHYL ACETATE

C8H8N2O4 (196.0484)


   

4-Borono-3-methoxybenzoic acid

4-Borono-3-methoxybenzoic acid

C8H9BO5 (196.0543)


   

DIMETHYL 2-ACETOXYETHYLPHOSPHONATE

DIMETHYL 2-ACETOXYETHYLPHOSPHONATE

C6H13O5P (196.0501)


   

2-(1-Naphthyl)-1,3,4-oxadiazole

2-(1-Naphthyl)-1,3,4-oxadiazole

C12H8N2O (196.0637)


   

3,7-Dithia-1,9-nonanediol

3,7-Dithia-1,9-nonanediol

C7H16O2S2 (196.0592)


   

11H-pyrido(2,1-b)quinazolin-11-one

11H-pyrido(2,1-b)quinazolin-11-one

C12H8N2O (196.0637)


   

Ethyl(phenylthio)acetate

Ethyl(phenylthio)acetate

C10H12O2S (196.0558)


   

2-phenoxynicotinonitrile

2-phenoxynicotinonitrile

C12H8N2O (196.0637)


   

Methyl 3-(3-fluorophenyl)-3-oxopropanoate

Methyl 3-(3-fluorophenyl)-3-oxopropanoate

C10H9FO3 (196.0536)


   

4-(Carboxymethoxy)phenylboronic acid

4-(Carboxymethoxy)phenylboronic acid

C8H9BO5 (196.0543)


   

3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-6-phenyl-

3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-6-phenyl-

C12H8N2O (196.0637)


   

2,3-Dihydro-2,3-dimethyl-benzo[b]thiophene 1,1-dioxide

2,3-Dihydro-2,3-dimethyl-benzo[b]thiophene 1,1-dioxide

C10H12O2S (196.0558)


   

Acetamide,N-(2-hydroxy-5-nitrophenyl)-

Acetamide,N-(2-hydroxy-5-nitrophenyl)-

C8H8N2O4 (196.0484)


   

2-carboxy-3-methoxyphenylboronic acid

2-carboxy-3-methoxyphenylboronic acid

C8H9BO5 (196.0543)


   

2,6-DIMETHYL-3-NITROISONICOTINIC ACID

2,6-DIMETHYL-3-NITROISONICOTINIC ACID

C8H8N2O4 (196.0484)


   

4-(Aminomethyl)-3-nitrobenzoic acid

4-(Aminomethyl)-3-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

2-Amino-4-nitrobenzoic acid methyl ester

2-Amino-4-nitrobenzoic acid methyl ester

C8H8N2O4 (196.0484)


   

2,5-PYRAZINEDICARBOXYLIC ACID, DIMETHYL ESTER

2,5-PYRAZINEDICARBOXYLIC ACID, DIMETHYL ESTER

C8H8N2O4 (196.0484)


   

2-(methylamino)-5-nitrobenzoic acid

2-(methylamino)-5-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

2-hydroxy-3-methyl-5-nitrobenzamide

2-hydroxy-3-methyl-5-nitrobenzamide

C8H8N2O4 (196.0484)


   

6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

C10H9FO3 (196.0536)


   

1-(Chloromethyl)-1,1,3,3,3-pentamethyldisiloxane

1-(Chloromethyl)-1,1,3,3,3-pentamethyldisiloxane

C6H17ClOSi2 (196.0506)


   

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE

C12H8N2O (196.0637)


   

DIBENZOFURAN-2-CARBOXALDEHYDE

DIBENZOFURAN-2-CARBOXALDEHYDE

C13H8O2 (196.0524)


   

N-Cyclopropyl-4-fluoro-2-nitroaniline

N-Cyclopropyl-4-fluoro-2-nitroaniline

C9H9FN2O2 (196.0648)


   

Benzeneacetic acid, a-amino-4-nitro-

Benzeneacetic acid, a-amino-4-nitro-

C8H8N2O4 (196.0484)


   

5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid

5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid

C10H12O2S (196.0558)


   

Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

C10H12O2S (196.0558)


   

4-(6-Hydroxypyridin-2-yl)benzonitrile

4-(6-Hydroxypyridin-2-yl)benzonitrile

C12H8N2O (196.0637)


   

acenaphthylene-5-carboxylic acid

acenaphthylene-5-carboxylic acid

C13H8O2 (196.0524)


   

Propanoic acid,3-[(4-methylphenyl)thio]-

Propanoic acid,3-[(4-methylphenyl)thio]-

C10H12O2S (196.0558)


   

4-nitrophenyl glycinate

4-nitrophenyl glycinate

C8H8N2O4 (196.0484)


   

ethyl 4-fluorobenzoylformate

ethyl 4-fluorobenzoylformate

C10H9FO3 (196.0536)


   

dimethyl pyrazine-2,6-dicarboxylate

dimethyl pyrazine-2,6-dicarboxylate

C8H8N2O4 (196.0484)


   

Alafosfalin

Alafosfalin

C5H13N2O4P (196.0613)


C254 - Anti-Infective Agent > C258 - Antibiotic

   

2-amino-5-nitrobenzohydrazide

2-amino-5-nitrobenzohydrazide

C7H8N4O3 (196.0596)


   

3-Amino-4-methyl-2-nitrobenzoic acid

3-Amino-4-methyl-2-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

5-amino-4-methyl-2-nitrobenzoic acid

5-amino-4-methyl-2-nitrobenzoic acid

C8H8N2O4 (196.0484)


   

ethyl 2-(2-fluorophenyl)-2-oxoacetate

ethyl 2-(2-fluorophenyl)-2-oxoacetate

C10H9FO3 (196.0536)


   

3-(2-Naphthyl)prop-2-ynoic acid

3-(2-Naphthyl)prop-2-ynoic acid

C13H8O2 (196.0524)


   

Methyl 3-(2-fluorophenyl)-3-oxopropanoate

Methyl 3-(2-fluorophenyl)-3-oxopropanoate

C10H9FO3 (196.0536)


   

1-Propanone, 2-chloro-1-(4-ethylphenyl)- (9CI)

1-Propanone, 2-chloro-1-(4-ethylphenyl)- (9CI)

C11H13ClO (196.0655)


   

4-chlorophenylboronic acid propanediol ester

4-chlorophenylboronic acid propanediol ester

C9H10BClO2 (196.0462)


   

1-(4-Chlorophenyl)-1-pentanone

1-(4-Chlorophenyl)-1-pentanone

C11H13ClO (196.0655)


   

1-CHLORO-4-(1-METHOXY-BUT-3-ENYL)-BENZENE

1-CHLORO-4-(1-METHOXY-BUT-3-ENYL)-BENZENE

C11H13ClO (196.0655)


   

2-TERT-BUTYLBENZOYLCHLORIDE

2-TERT-BUTYLBENZOYLCHLORIDE

C11H13ClO (196.0655)


   

2-amino-5-methyl-3-nitro-benzoic acid

2-amino-5-methyl-3-nitro-benzoic acid

C8H8N2O4 (196.0484)


   

2-(2,4-dimethylphenyl)sulfanylacetic acid

2-(2,4-dimethylphenyl)sulfanylacetic acid

C10H12O2S (196.0558)


   

(2R)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid

(2R)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid

C10H9FO3 (196.0536)


   

methyl (2R)-2,5-diamino-5-oxopentanoate,hydrochloride

methyl (2R)-2,5-diamino-5-oxopentanoate,hydrochloride

C6H13ClN2O3 (196.0615)


   

5-fluoro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine

5-fluoro-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine

C9H9FN2S (196.047)


   

(S)-AMINO-(1-METHYL-1H-INDOL-3-YL)-ACETICACID

(S)-AMINO-(1-METHYL-1H-INDOL-3-YL)-ACETICACID

C8H8N2O4 (196.0484)


   

5-Amino-2-nitro-benzoic acid methyl ester

5-Amino-2-nitro-benzoic acid methyl ester

C8H8N2O4 (196.0484)


   

2-Chloro-1-(2,4,5-trimethylphenyl)ethanone

2-Chloro-1-(2,4,5-trimethylphenyl)ethanone

C11H13ClO (196.0655)


   

Quinoxaline, 2-chloro-3-hydrazino-1,4-dihydro- (9CI)

Quinoxaline, 2-chloro-3-hydrazino-1,4-dihydro- (9CI)

C8H9ClN4 (196.0516)


   

(4-Amino-3-nitrophenyl)acetic acid

(4-Amino-3-nitrophenyl)acetic acid

C8H8N2O4 (196.0484)


   

1-ethyl-2,4-dinitrobenzene

1-ethyl-2,4-dinitrobenzene

C8H8N2O4 (196.0484)


   

ETHYL3-FLUOROBENZOYLFORMATE

ETHYL3-FLUOROBENZOYLFORMATE

C10H9FO3 (196.0536)


   

Methyl 2-amino-3-nitrobenzoate

Methyl 2-amino-3-nitrobenzoate

C8H8N2O4 (196.0484)


   

methyl 3-amino-5-nitrobenzoate

methyl 3-amino-5-nitrobenzoate

C8H8N2O4 (196.0484)


   

Ethyl 2-(dimethoxyphosphoryl)acetate

Ethyl 2-(dimethoxyphosphoryl)acetate

C6H13O5P (196.0501)


   

Methyl 2-amino-6-nitrobenzoate

Methyl 2-amino-6-nitrobenzoate

C8H8N2O4 (196.0484)


   

GLYCINE, N-(o-NITROPHENYL)-

GLYCINE, N-(o-NITROPHENYL)-

C8H8N2O4 (196.0484)


   

4,6-Pyrimidinedicarboxylicacid, 4,6-dimethyl ester

4,6-Pyrimidinedicarboxylicacid, 4,6-dimethyl ester

C8H8N2O4 (196.0484)


   

2-Pyridinecarboxylicacid,3-methyl-6-nitro-,methylester(9CI)

2-Pyridinecarboxylicacid,3-methyl-6-nitro-,methylester(9CI)

C8H8N2O4 (196.0484)


   

3-(3-Chlorophenyl)-3-Methylbutan-2-one

3-(3-Chlorophenyl)-3-Methylbutan-2-one

C11H13ClO (196.0655)


   

1-(4-Cyanophenyl)guanidine hydrochloride (1:1)

1-(4-Cyanophenyl)guanidine hydrochloride (1:1)

C8H9ClN4 (196.0516)


   

2-chloro-1-(4-propan-2-ylphenyl)ethanone

2-chloro-1-(4-propan-2-ylphenyl)ethanone

C11H13ClO (196.0655)


   

4-methoxy-3-nitrobenzamide

4-methoxy-3-nitrobenzamide

C8H8N2O4 (196.0484)


   

4-(Dihydroxyboryl)-2-methoxybenzoic acid

4-(Dihydroxyboryl)-2-methoxybenzoic acid

C8H9BO5 (196.0543)


   

2-chloro-1-(2,4,6-trimethylphenyl)ethanone

2-chloro-1-(2,4,6-trimethylphenyl)ethanone

C11H13ClO (196.0655)


   

L-Glutamine, methyl ester, hydrochloride

L-Glutamine, methyl ester, hydrochloride

C6H13ClN2O3 (196.0615)


   

S-(2-PHENOXYETHYL)THIOACETATE

S-(2-PHENOXYETHYL)THIOACETATE

C10H12O2S (196.0558)


   

2-Methoxy-6-methyl-3-nitroisonicotinaldehyde

2-Methoxy-6-methyl-3-nitroisonicotinaldehyde

C8H8N2O4 (196.0484)


   

3-(5-fluoro-2-methoxyphenyl)prop-2-enoic acid

3-(5-fluoro-2-methoxyphenyl)prop-2-enoic acid

C10H9FO3 (196.0536)


   

tert-Butyl-sulfamoylcarbamat

tert-Butyl-sulfamoylcarbamat

C5H12N2O4S (196.0518)


   

Ethyl 5-nitropicolinate

Ethyl 5-nitropicolinate

C8H8N2O4 (196.0484)


   

Pyrazine-2,3-dicarboxylic acid dimethyl ester

Pyrazine-2,3-dicarboxylic acid dimethyl ester

C8H8N2O4 (196.0484)


   

3H-naphtho(2,1-b)pyran-3-one

3H-naphtho(2,1-b)pyran-3-one

C13H8O2 (196.0524)


   

(R)-2-AMINO-2-(4-NITROPHENYL)ACETIC ACID

(R)-2-AMINO-2-(4-NITROPHENYL)ACETIC ACID

C8H8N2O4 (196.0484)


   

methyl 3-acetyl-4-fluorobenzoate

methyl 3-acetyl-4-fluorobenzoate

C10H9FO3 (196.0536)


   

2,5-diaminoterephthalic acid

2,5-diaminoterephthalic acid

C8H8N2O4 (196.0484)


   

dibenzo[b,d]furan-1-carbaldehyde

dibenzo[b,d]furan-1-carbaldehyde

C13H8O2 (196.0524)


   

[3-(Trifluoromethyl)-3-buten-1-ynyl]benzene

[3-(Trifluoromethyl)-3-buten-1-ynyl]benzene

C11H7F3 (196.05)


   

1-Formyl-β-carboline

1-Formyl-β-carboline

C12H8N2O (196.0637)


   

2-methoxy-4-nitrobenzamide

2-methoxy-4-nitrobenzamide

C8H8N2O4 (196.0484)


   

Hydralazine hydrochloride

Hydralazine hydrochloride

C8H9ClN4 (196.0516)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

[2-(4-fluorophenyl)-2-oxoethyl] acetate

[2-(4-fluorophenyl)-2-oxoethyl] acetate

C10H9FO3 (196.0536)


   

Butanoic acid,4-(phenylthio)-

Butanoic acid,4-(phenylthio)-

C10H12O2S (196.0558)


   

9H-Fluoren-9-one,1-hydroxy-

9H-Fluoren-9-one,1-hydroxy-

C13H8O2 (196.0524)


   

2-chloro-4-propylacetophenone

2-chloro-4-propylacetophenone

C11H13ClO (196.0655)


   

7-NITRO-2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YLAMINE

7-NITRO-2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YLAMINE

C8H8N2O4 (196.0484)


   

2-(Aminomethyl)-5-nitrophenylboronic acid

2-(Aminomethyl)-5-nitrophenylboronic acid

C7H9BN2O4 (196.0655)


   

4-chloro-alpha-cyclopropyl-alpha-methylbenzyl alcohol

4-chloro-alpha-cyclopropyl-alpha-methylbenzyl alcohol

C11H13ClO (196.0655)


   

5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalene

5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalene

C11H13ClO (196.0655)


   

1-(chloromethyl)-4-(cyclopropylmethoxy)benzene

1-(chloromethyl)-4-(cyclopropylmethoxy)benzene

C11H13ClO (196.0655)


   

4-Chloro-2-cyclopentylphenol

4-Chloro-2-cyclopentylphenol

C11H13ClO (196.0655)


   

2-METHYL-5-NITRONICOTINOHYDRAZIDE

2-METHYL-5-NITRONICOTINOHYDRAZIDE

C7H8N4O3 (196.0596)


   

Methyl 2-amino-5-nitrobenzoate

Methyl 2-amino-5-nitrobenzoate

C8H8N2O4 (196.0484)


   

ACETAMIDE, N-(2-HYDROXY-4-NITROPHENYL)-

ACETAMIDE, N-(2-HYDROXY-4-NITROPHENYL)-

C8H8N2O4 (196.0484)


   

3-Hydroxy-1H-phenalen-1-one

3-Hydroxy-1H-phenalen-1-one

C13H8O2 (196.0524)


   

Dibenzo[b,d]furan-4-carbaldehyde

Dibenzo[b,d]furan-4-carbaldehyde

C13H8O2 (196.0524)


   

4-thiophen-2-yloxane-4-carbaldehyde

4-thiophen-2-yloxane-4-carbaldehyde

C10H12O2S (196.0558)


   

1H-phenalene-1,3(2H)-dione

1H-phenalene-1,3(2H)-dione

C13H8O2 (196.0524)


   

6-Fluoro-2-chromanecarboxylic acid

6-Fluoro-2-chromanecarboxylic acid

C10H9FO3 (196.0536)


   

3-TERT-BUTYLBENZOYLCHLORIDE

3-TERT-BUTYLBENZOYLCHLORIDE

C11H13ClO (196.0655)


   

3-Methoxy-2-nitrobenzamide

3-Methoxy-2-nitrobenzamide

C8H8N2O4 (196.0484)


   

6-CHLORO-9-ISOPROPYL-9H-PURINE

6-CHLORO-9-ISOPROPYL-9H-PURINE

C8H9ClN4 (196.0516)


   

1-(4-CYANOPHENYL)-1H-PYRIDIN-2-ONE

1-(4-CYANOPHENYL)-1H-PYRIDIN-2-ONE

C12H8N2O (196.0637)


   

Hexonic acid

Hexonic acid

C6H12O7 (196.0583)


   

7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione

7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione

C7H8N4O3 (196.0596)


   
   

6H-Dibenzo[b,d]pyran-6-one

6H-Dibenzo[b,d]pyran-6-one

C13H8O2 (196.0524)


A benzochromenone that is 6H-dibenzo[b,d]pyran substituted by an oxo group at position 6.

   

2-(Benzylthio)propanoic acid

2-(Benzylthio)propanoic acid

C10H12O2S (196.0558)


   

2,2,3,3,4-Pentahydroxyhexanoic acid

2,2,3,3,4-Pentahydroxyhexanoic acid

C6H12O7 (196.0583)


   

4-(Pyridin-2-yloxy)benzonitrile

4-(Pyridin-2-yloxy)benzonitrile

C12H8N2O (196.0637)


   

1H-Pyrimido[1,2-a]quinolin-1-one

1H-Pyrimido[1,2-a]quinolin-1-one

C12H8N2O (196.0637)


   

1-Chloro-1-phenyl-1-silacyclopentane

1-Chloro-1-phenyl-1-silacyclopentane

C10H13ClSi (196.0475)


   

2-Thiomethyl-3-phenylpropanoic acid

2-Thiomethyl-3-phenylpropanoic acid

C10H12O2S (196.0558)


   

(5R)-5-[(1E)-Buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one

(5R)-5-[(1E)-Buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one

C10H12O2S (196.0558)


   

L-Galactonic acid

L-Galactonic acid

C6H12O7 (196.0583)


   

N-Hydroxy-L-tyrosine

N-Hydroxy-L-tyrosine

C9H10NO4- (196.061)


   

N,N-dihydroxy-L-phenylalaninate

N,N-dihydroxy-L-phenylalaninate

C9H10NO4- (196.061)


   

L-Gluconic acid

L-Gluconic acid

C6H12O7 (196.0583)


   

Idonic acid

Idonic acid

C6H12O7 (196.0583)


   

(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid

(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid

C6H12O7 (196.0583)


   

2-Carboxyribitol

2-Carboxyribitol

C6H12O7 (196.0583)


   

3-(Trimethylsilyl)propane-1-sulfonic acid

3-(Trimethylsilyl)propane-1-sulfonic acid

C6H16O3SSi (196.0589)


   

3-(Trimethylsilyl)-1-propanesulfonic acid-d6

3-(Trimethylsilyl)-1-propanesulfonic acid-d6

C6H16O3SSi (196.0589)


   

L-dopa(1-)

L-dopa(1-)

C9H10NO4- (196.061)


A L-alpha-amino acid anion which is the conjugate base of L-dopa, obtained by deprotonation of the carboxy group: major species at pH 7.3.

   

L-cysteine-glycine

L-cysteine-glycine

C5H12N2O4S (196.0518)


   

Ethyl 4-(methylsulphenyl)benzoate

Ethyl 4-(methylsulphenyl)benzoate

C10H12O2S (196.0558)


   

D-galactonic acid

D-galactonic acid

C6H12O7 (196.0583)


A galactonic acid compound having D-configuration.

   

D-Mannonic acid

D-Mannonic acid

C6H12O7 (196.0583)


The D-stereoisomer of mannonic acid.

   

L-Gulonic acid

L-Gulonic acid

C6H12O7 (196.0583)


A gulonic acid formed by oxidising the aldehyde group of L-gulose to a carboxylic acid group.

   

2-Carboxy-D-arabinitol

2-Carboxy-D-arabinitol

C6H12O7 (196.0583)


   

D-Gulonic acid

D-Gulonic acid

C6H12O7 (196.0583)


A gulonic acid having D-configuration.

   

L-Galactonate

L-Galactonic acid

C6H12O7 (196.0583)


A galactonic acid compound having L-configuration.

   

7,9-dihydro-7,9-Dimethyl-1H-purine-2,6,8(3H)-trione

7,9-dihydro-7,9-Dimethyl-1H-purine-2,6,8(3H)-trione

C7H8N4O3 (196.0596)


   

Hydroxyfluorenone

Hydroxyfluorenone

C13H8O2 (196.0524)


   

Dimethyluric acid

Dimethyluric acid

C7H8N4O3 (196.0596)


   

Mannonic acid

Mannonic acid

C6H12O7 (196.0583)


   

D-(+)-Gluconic acid δ-lactone

D-(+)-Gluconic acid δ-lactone

C6H12O7 (196.0583)


   

(2r)-trideca-3,5,7,9,11-pentayne-1,2-diol

(2r)-trideca-3,5,7,9,11-pentayne-1,2-diol

C13H8O2 (196.0524)


   

phenazin-2-ol

phenazin-2-ol

C12H8N2O (196.0637)


   

5h-phenazin-1-one

5h-phenazin-1-one

C12H8N2O (196.0637)


   

benzo[h]quinazolin-4-ol

benzo[h]quinazolin-4-ol

C12H8N2O (196.0637)


   

trideca-3,5,7,9,11-pentayne-1,2-diol

trideca-3,5,7,9,11-pentayne-1,2-diol

C13H8O2 (196.0524)


   

benzo[c]2,7-naphthyridin-4-ol

benzo[c]2,7-naphthyridin-4-ol

C12H8N2O (196.0637)