Exact Mass: 211.0084
Exact Mass Matches: 211.0084
Found 500 metabolites which its exact mass value is equals to given mass value 211.0084,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
DIMBOA is a lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. It has a role as a plant metabolite and an allelochemical. It is a lactol, a benzoxazine, an aromatic ether and a cyclic hydroxamic acid. It is functionally related to a DIBOA. 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one is a natural product found in Trichoderma virens with data available. 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is isolated from wheat, in which it is present mainly as glucoside. Appears to be a natural aphicide, insecticide and fungicide. Involved in the in vivo detoxification of herbicides , e.g. Simazin Isolated from wheat, in which it is present mainly as glucoside. Appears to be a natural aphicide, insecticide and fungicide. Involved in the in vivo detoxification of herbicides , e.g. Simazine. (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and corn. A lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. DIMBOA, an antibiotic, is a benzoxazinoid, part of the chemical defense system of graminaceous plants such as maize, wheat, and rye. DIMBOA possess growth inhibitory properties against many strains of studied bacteria and fungi, such as Staphylococcus aureus, Escherichia coli as well as against Saccharomyces cerevisiae. DIMBOA exhibits a potent free-radical scavenging activity and a weaker iron (III) ions reducing activity. Antioxidant activity[1][2].
Phosphocreatine
Phosphocreatine, also known as creatine phosphate (CP) or PCr (Pcr), is a phosphorylated creatine molecule that serves as a rapidly mobilizable reserve of high-energy phosphates in skeletal muscle, myocardium and the brain to recycle adenosine triphosphate, the energy currency of the cell. Phosphocreatine undergoes irreversible cyclization and dehydration to form creatinine at a fractional rate of 0.026 per day, thus forming approximately 2 g creatinine/day in an adult male. This is the amount of creatine that must be provided either from dietary sources or by endogenous synthesis to maintain the body pool of (creatine and) phosphocreatine. Creatine is an amino acid that plays a vital role as phosphocreatine in regenerating adenosine triphosphate in skeletal muscle to energize muscle contraction. Creatine is phosphorylated to phosphocreatine in muscle in a reaction that is catalyzed by the enzyme creatine kinase. This enzyme is in highest concentration in muscle and nerve. Oral administration increases muscle stores. During the past decade, creatine has assumed prominence as an ergogenic (and legal) aid for professional and elite athletes. Most (~ 95\\%) of the total body creatine-phosphocreatine pool is in muscle (more in skeletal muscle than in smooth muscle) and amounts to 120 g (or 925 mmol) in a 70 kg adult male. Approximately 60-67\\% of the content in resting muscle is in the phosphorylated form. This generates enough ATP at the myofibrillar apparatus to power about 4 seconds of muscle contraction in exercise. Phosphocreatine reacts with ADP to yield ATP and creatine; the reversible reaction is catalyzed by creatine kinase. phosphocreatine is the chief store of high-energy phosphates in muscle. Thus, this reaction, which permits the rephosphorylation of ADP to ATP, is the immediate source of energy in muscle contraction. During rest, metabolic processes regenerate phosphocreatine stores. In normal muscle, ATP that is broken down to ADP is immediately rephosphorylated to ATP. Thus, phosphocreatine serves as a reservoir of ATP-synthesizing potential. phosphocreatine is the only fuel available to precipitously regenerate ATP during episodes of rapid fluctuations in demand. The availability of phosphocreatine likely limits muscle performance during brief, high-power exercise, i.e., maximal exercise of short duration. With near maximal isometric contraction, the rate of utilization of phosphocreatine declines after 1-2 seconds of contraction, prior to the glycolysis peak at approximately 3 seconds (PMID:10079702). Phosphocreatine undergoes irreversible cyclization and dehydration to form creatinine at a fractional rate of 0.026 per day, thus forming approximately 2 g creatinine/day in an adult male. This is the amount of creatine that must be provided either from dietary sources or by endogenous synthesis to maintain the body pool of (creatine and) phosphocreatine. Creatine is an amino acid that plays a vital role as phosphocreatine in regenerating adenosine triphosphate in skeletal muscle to energize muscle contraction. Creatine is phosphorylated to phosphocreatine in muscle in a reaction that is catalyzed by the enzyme creatine kinase. This enzyme is in highest concentration in muscle and nerve. Oral administration increases muscle stores. During the past decade, creatine has assumed prominence as an ergogenic (and legal) aid for professional and elite athletes. Most (~ 95\\%) of the total body creatine-phosphocreatine pool is in muscle (more in skeletal muscle than in smooth muscle) and amounts to 120 g (or 925 mmol) in a 70 kg adult male. Approximately 60-67\\% of the content in resting muscle is in the phosphorylated form. This generates enough ATP at the myofibrillar apparatus to power about 4 seconds of muscle contraction in exercise. Phosphocreatine reacts with ADP to yield ATP and creatine; the reversible reaction is catalyzed by creatine kinase. phosphocreatine is the chief store of high-energy phosphates in muscle. Thus, this reaction, which permits the rephosphorylation of ADP to ATP, is the immediate source of energy in muscle contraction. During rest, metabolic processes regenerate phosphocreatine stores. In normal muscle, ATP that is broken down to ADP is immediately rephosphorylated to ATP. Thus, phosphocreatine serves as a reservoir of ATP-synthesizing potential. phosphocreatine is the only fuel available to precipitously regenerate ATP during episodes of rapid fluctuations in demand. The availability of phosphocreatine likely limits muscle performance during brief, high-power exercise, i.e., maximal exercise of short duration. With near maximal isometric contraction, the rate of utilization of phosphocreatine declines after 1-2 seconds of contraction, prior to the glycolysis peak at approximately 3 seconds. (PMID: 10079702, Nutr Rev. 1999 Feb;57(2):45-50.) [HMDB] D020011 - Protective Agents > D002316 - Cardiotonic Agents C - Cardiovascular system > C01 - Cardiac therapy D002317 - Cardiovascular Agents KEIO_ID P084; [MS2] KO009218 KEIO_ID P084
Betalamic acid
Betalamic acid is found in common beet. Betalamic acid is a precursor of betalains pigments in plants of the Centrospermae. Betalamic acid is detected in Beta vulgaris (beetroot Precursor of betalains pigments in plants of the Centrospermae. Detected in Beta vulgaris (beetroot). Betalamic acid is found in red beetroot, common beet, and root vegetables. D004396 - Coloring Agents > D050858 - Betalains
Topaquinone
Topaquinone (TPQ), is the quinone of 2,4,5-trihydroxyphenylalanine. TPQ is the cofactor in most copper-containing amine oxidases. It is produced by post-translational modification of a strictly conserved active-site tyrosine residue with the participation of the copper ion at the active site. Once formed, TPQ acts as a switch between the heterolytic transformation of amine substrates to aldehydes, via a pyridoxal phosphate-like Schiff base complex, and one electron chemistry involving reduction of molecular oxygen (PMID: 12686122) [HMDB] Topaquinone (TPQ), is the quinone of 2,4,5-trihydroxyphenylalanine. TPQ is the cofactor in most copper-containing amine oxidases. It is produced by post-translational modification of a strictly conserved active-site tyrosine residue with the participation of the copper ion at the active site. Once formed, TPQ acts as a switch between the heterolytic transformation of amine substrates to aldehydes, via a pyridoxal phosphate-like Schiff base complex, and one electron chemistry involving reduction of molecular oxygen (PMID: 12686122).
Gentisuric acid
Gentisuric acid is a metabolite of aspirin in man. Gentisuric acid was synthesized from gentisic acid and glycine ethyl ester. (PMID: 417892) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,5-Dinitrobenzamide
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Amino-3-(2,4,5-trihydroxyphenyl)prop-2-enoic acid
2-[Carbamimidoyl(phosphonomethyl)amino]acetic acid
2-methyl-1,5-dinitro-3-nitrosobenzene
2-methyl-1,5-dinitro-3-nitrosobenzene, also known as 2-nitroso-4,6-dinitrotoluene, 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-methyl-1,5-dinitro-3-nitrosobenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-methyl-1,5-dinitro-3-nitrosobenzene can be found in a number of food items such as cereals and cereal products, fox grape, buffalo currant, and chicory roots, which makes 2-methyl-1,5-dinitro-3-nitrosobenzene a potential biomarker for the consumption of these food products.
4-nitroso-2,6-dinitrotoluene
4-nitroso-2,6-dinitrotoluene 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-nitroso-2,6-dinitrotoluene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-nitroso-2,6-dinitrotoluene can be found in a number of food items such as mixed nuts, rocket salad, nance, and yautia, which makes 4-nitroso-2,6-dinitrotoluene a potential biomarker for the consumption of these food products.
imidacloprid-urea
A imidazolidinone that is imidazolidin-2-one substituted by a (6-chloropyridin-3-yl)methyl group at position 1. It is a metabolite of the insecticide imidacloprid. CONFIDENCE standard compound; INTERNAL_ID 2591 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2956 CONFIDENCE standard compound; INTERNAL_ID 2049
6-Ethoxy-2-mercaptobenzothiazole
CONFIDENCE standard compound; INTERNAL_ID 8217
Pyridin-2-carbonsaeuremethylester-6-monothiocarbonsaeure-S-methylester|pyridine-2-carboxylic acid methyl ester 6-carbothioic acid S-methyl ester
4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid|Muscaflavin
7-hydroxy-5-hydroxymethyl-2h-benzo[1,4]thiazin-3-one
A benzothiazine that is 2H-1,4-benzothiazin-3(4H)-one substituted by a hydroxy and a hydroxymethyl group at positions 7 and 5 respectively. It is an antibacterial agent from Ampelomyces.
Phosphocreatine
D020011 - Protective Agents > D002316 - Cardiotonic Agents C - Cardiovascular system > C01 - Cardiac therapy D002317 - Cardiovascular Agents
5-Nitroisophthalic acid
CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3618; ORIGINAL_PRECURSOR_SCAN_NO 3614 CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3635; ORIGINAL_PRECURSOR_SCAN_NO 3634 CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3648; ORIGINAL_PRECURSOR_SCAN_NO 3647 CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3625; ORIGINAL_PRECURSOR_SCAN_NO 3621 CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3614; ORIGINAL_PRECURSOR_SCAN_NO 3612 CONFIDENCE standard compound; INTERNAL_ID 678; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3609; ORIGINAL_PRECURSOR_SCAN_NO 3604
3-(6-CHLORO-PYRIDIN-3-YL)-ACRYLIC ACID ETHYL ESTER
3-(2-amino-4-chlorophenyl)-2H-1,2,4-oxadiazol-5-one
[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol
Benzoyl chloride, 4-[(dimethylamino)carbonyl]- (9CI)
o-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride
6-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
3H-Pyrazolo[4,3-c]pyridin-3-one, 1,2,4,5,6,7-hexahydro-, hydrochloride (1:2)
3-Chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
3-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(2-Chloro-5-(trifluoromethyl)pyridin-3-yl)methanol
(6-Chloro-5-(trifluoromethyl)pyridin-3-yl)methanol
2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylic acid
2-AMINO-5-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OLHYDROCHLORIDE
Chlorthenoxazine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
O-(2-Chloro-6-fluorobenzyl)hydroxylamine hydrochloride
2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid
1-(6-CHLORO-3-PYRIDAZINYL)TETRAHYDRO-4(1H)-PYRIDINONE
4-Chloro-2-(chloromethyl)-3-Methyl Pyridine Hydrochloride
ETHYL 5-HYDROXY-3-METHYL-4-ISOXAZOLE-CAR BOXYLATE, SODIUM SALT H2O
(S)-2,2,2-Trifluoro-1-phenylethylamine hydrochloride
2-(3-CHLOROPROPYL)-1,2,4-TRIAZOL-[4,3-A]PYRIDINE-3 (2H)-ONE
(S)-3-BOC-AMINO-1-DIAZO-3-(4-BENZYLOXY)PHENYL-2-BUTANONE
3-(2-CHLORO-PYRIDIN-4-YL)-ACRYLIC ACID ETHYL ESTER
3-(3-Aminophenyl)-1H-pyrazol-5(4H)-one hydrochloride
2-chloro-N-methyl-5-(trifluoromethyl)pyrimidin-4-amine
1H-Imidazole-4-methanol, 5-nitro-alpha-(trifluoromethyl)- (9CI)
1H-Imidazole-2-methanol, 4-nitro-alpha-(trifluoromethyl)- (9CI)
4-ACETYL-3-METHYL-5-(METHYLTHIO)THIOPHENE-2-CARBONITRILE
4-METHYL-5-(THIEN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
methyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
3-BROMO-1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
3-(2-chloro-pyridin-3-yl)-acrylic acid ethyl ester
2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester
4-METHYL-5-(5-METHYLTHIEN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
4-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-7-YLACETATE
1-METHYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
6-Chloro-4-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
methyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
METHYL3-CHLOROIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLATE
1H-Indol-7-ol, 1-(chloroacetyl)-2,3-dihydro- (9CI)
6-Chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
3-Pyridinecarbonitrile,2-chloro-4,6-dimethyl-5-nitro-
(S)-(-)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE
Methyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
2-chloro-N-(dimethylaminomethylidene)pyridine-4-carboxamide
4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride
Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride
4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
4-(Chloromethyl)-2-isopropylthiazole hydrochloride
(6-CHLORO-2-METHANESULFINYL-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE
7-CHLORO-2,3-DIHYDRO-5-METHOXYBENZO[F][1,4]OXAZEPINE
Aminosalicylate Sodium
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AA - Aminosalicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Benzenemethanamine, 2,3,4,5,6-pentafluoro-a-methyl-, (aS)
(6-Methoxy-pyridin-3-yl)-hydrazine dihydrochloride
2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Lithium (2-chloro-5-methoxypyridin-4-yl)trihydroxyborate
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanol
(R)-2,2,2-TRIFLUORO-1-PHENYLETHANAMINE HYDROCHLORIDE
N-(3-cyanopyridin-2-yl)-N-methylmethanesulfonamide
2H-1,4-Benzoxazine, 4-(chloroacetyl)-3,4-dihydro- (8CI,9CI)
(RS)-4-CARBOXY-3-HYDROXYPHENYLGLYCINE
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
3-[(Cyclopropylcarbonyl)amino]-2-thiophenecarboxylic acid
2,4-Dihydroxy-7-(methyloxy)-2H-1,4-benzoxazin-3(4H)-one
4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2-)
(Z)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxyprop-2-enoic acid
4-[(Z)-3-carboxy-3-oxoprop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
2-Amino-3-(2,4,5-trihydroxyphenyl)prop-2-enoic acid
2-Amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
2-Azaniumyl-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoate
Gentisuric acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
topaquinone zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of topaquinone; major structure at pH 7.3.
N-Phosphocreatine
A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group.
4-phosphonato-L-aspartic acid(2-)
Dianionic form of 4-phosphonato-L-aspartic acid having carboxylic acid and phosphate functions in anionic form and a protonated nitrogen.
(R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate
Trianion of (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid arising from deprotonation of both the carboxyl and phosphate functions.
Kynurenic acid (sodium)
Kynurenic acid sodium, an endogenous tryptophan metabolite, is a broad-spectrum antagonist targeting NMDA, glutamate, α7 nicotinic acetylcholine receptor. Kynurenic acid sodium is also an agonist of GPR35/CXCR8.
(2e)-3-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]prop-2-enoic acid
5-[(s)-amino(carboxy)methyl]-2-hydroxybenzoic acid
(2r)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3-one
4-(2-oxoethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
βetalamicacid
{"Ingredient_id": "HBIN018101","Ingredient_name": "\u03b2etalamicacid","Alias": "NA","Ingredient_formula": "C9H9NO5","Ingredient_Smile": "C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14464","TCMID_id": "2319","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
