Exact Mass: 227.037
Exact Mass Matches: 227.037
Found 500 metabolites which its exact mass value is equals to given mass value 227.037
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,4,6-Trinitrotoluene
Trinitrotoluene, also known as tnt or S-trinitrotoluol, is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. Trinitrotoluene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Trinitrotoluene can be found in a number of food items such as parsnip, broccoli, highbush blueberry, and sunburst squash (pattypan squash), which makes trinitrotoluene a potential biomarker for the consumption of these food products. Trinitrotoluene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Trinitrotoluene (; TNT), or more specifically 2,4,6-trinitrotoluene, is a chemical compound with the formula C6H2(NO2)3CH3. This yellow solid is sometimes used as a reagent in chemical synthesis, but it is best known as an explosive material with convenient handling properties. The explosive yield of TNT is considered to be the standard measure of bombs and other explosives. In chemistry, TNT is used to generate charge transfer salts . In some cases, gastric lavage, activated charcoal, and emetics have been suggested as useful in reducing absorption of the general class of nitro compounds to which 2,4,6-trinitrotoluene belongs (L132) (T3DB). CONFIDENCE standard compound; INTERNAL_ID 42 D053834 - Explosive Agents
L-Glutamic acid 5-phosphate
L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and the metabolism of amino groups. It is a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)In citrulline biosynthesis, it is a substrate of the enzyme glutamate-5-semialdehyde dehydrogenase [EC 1.2.1.41] and in proline synthesis it is a substrate of the enzyme Glutamate 5-kinase [EC 2.7.2.11] (BioCyc). L-Glutamic acid 5-phosphate is an intermediate in the urea cycle and metabolism of amino groups, a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG)
5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate
5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate is involved in the tryptophan metabolism system. Through a number of reactions, L-Kynurenine is converted to 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate. The last reaction involves 5-(2-formylethyl)-4,6-Dihydroxypicolinate being converted into 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate by [E1.2.1.-]. [HMDB] 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate is involved in the tryptophan metabolism system. Through a number of reactions, L-Kynurenine is converted to 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate. The last reaction involves 5-(2-formylethyl)-4,6-Dihydroxypicolinate being converted into 5-(2-Carboxyethyl)-4,6-Dihydroxypicolinate by [E1.2.1.-].
Nitroglycerin
Nitroglycerin is only found in individuals that have used or taken this drug. It is a volatile vasodilator which relieves angina pectoris by stimulating guanylate cyclase and lowering cytosolic calcium. [PubChem]Similar to other nitrites and organic nitrates, nitroglycerin is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3,5-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation. C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D053834 - Explosive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Mukeic acid
Mukeic acid is found in herbs and spices. Mukeic acid is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
5-Chloro-4-(guanidino)-2,1,3-benzothiazdiazole
5-Chloro-4-(guanidino)-2,1,3-benzothiazdiazole is one of the two major metabolites of tizanidine (PMID: 9929503, 19961320). Tizanidine (trade names Zanaflex, Sirdalud) is a drug that is used as a muscle relaxant. It is a centrally acting α2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant (Wikipedia).
Chlorquinaldol
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AA - Hydroxyquinoline derivatives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
Dexelvucitabine
Humic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents > D006812 - Humic Substances
2-[1-(4-chlorophenyl)ethylideneamino]oxyacetic Acid
3-[(4-chlorobenzoyl)amino]propanoic Acid
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3384
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
Pyridin-2-monothiocarbonsaeure-O-methylester-6-monothiocarbonsaeure-S-methylester
6-[(methoxythio)carbonyl]pyridine-2-carboxylic acid methyl ester
3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one
1,7-Dihydroxyacridone
1,7-Dihydroxyacridone is a natural product found in Boronia lanceolata with data available.
2-N-denrthyl-N-3-methylaplysinopsin
Origin: Animal; SubCategory_DNP: Aminoacids, Cyclic amino acids, Aromatic amino acids
chlorquinaldol
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AA - Hydroxyquinoline derivatives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
5-[(4-FLUOROPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL
2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE
[4-(trifluoromethoxy)phenyl]methanamine,hydrochloride
4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-AMINE DIHYDROCHLORIDE
Benzoic acid,2-[(2-chloroacetyl)amino]-, methyl ester
(2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride
N-Isobutyltetrahydrothiophene-3-amine-1,1-dioxide hydrochloride
2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
4-(4-CHLOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL
Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
METHYL 2-AMINO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE HYDROCHLORIDE
2-(2-chloroethyl)-3-hydroxy-2H-1,3-benzoxazin-4-one
2-Chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl) acetamide
8-FLUORO-10,11-DIHYDRO-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-5-ONE
Methyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate
4-(Cyclopropylmethoxy)picolinimidamide hydrochloride
[1-(4-chloropyrimidin-2-yl)piperidin-3-yl]methanol
methyl 3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
METHYL 2-HYDROXY-5-METHOXY-3-NITROBENZENECARBOXYLATE
2-(2-FORMYL-1H-PYRROL-1-YL)-4-METHOXYNICOTINONITRILE
3-((TERT-BUTOXYCARBONYL)AMINO)FURAN-2-CARBOXYLIC ACID
Thiocyanic acid,2-(2-naphthalenyl)-2-oxoethyl ester
Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
6-CHLORO-N-ISOBUTYL-N-METHYLPYRIDAZINE-3-CARBOXAMIDE
N-(4-Chlorophenyl)-3-(hydroxyamino)-3-iminopropanamide
(1,2,3,4-Tetrahydro-2-isoquinolyl)acetic acid hydrochloride
METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE HCL
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-methyl-
2-Trifluoromethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride
(2R)-(-)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
4-(1,2,3-THIADIAZOL-4-YL)BENZYLAMINE HYDROCHLORIDE
(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
1-[(Ammoniooxy)methyl]-3-(trifluoromethyl)benzene chloride
METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE HYDROCHLORIDE
5-NITRO-2-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIMIDINE-4,6-DIOL
N-METHYL-N-[4-(TRIFLUOROMETHOXY)PHENYL]AMINE HYDROCHLORIDE
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
Ethyl 2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
2-(4-FLUORO-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID
7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
(S)-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloroethanone
2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
Ethyl 4-cyano-5-(methylthio)thiophene-2-carboxylate
1,3,4-Thiadiazole-2(3H)-thione,5-[(2-fluorophenyl)amino]-
4-(1-AMINOCYCLOPROPYL)BENZOIC ACID METHYL ESTER HYDROCHLORIDE
3-(4-CHLOROPHENYL)-5-HYDROXYMETHYL-2-OXAZOLIDINONE
1,2,3,4-Tetrahydro-Quinoline-7-Carboxylic Acid Methyl Ester Hydrochloride
1-[(Ammoniooxy)methyl]-4-(trifluoromethyl)benzene chloride
(4-Chloro-3-(dimethylcarbamoyl)phenyl)boronic acid
1-Fluoro-4-[S-(trifluoromethyl)sulfonimidoyl]benzene
METHYL 5-AMINO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLATE HYDROCHLORIDE
Ethyl (2S)-2-indolinecarboxylate hydrochloride (1:1)
Thieno[2,3-b]pyridine, 2,3-dihydro-6-methyl-4-phenyl- (9CI)
2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID HCL
3-ethyl-6-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate hydrochloride
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-3H-pyrazolo[3,4-c]pyridine hydrochloride
(3-chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanamine
4-Methylpyrimido[1,2-a]benzimidazole-3-carboxylic acid
(4-Fluoro-3-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
2-PIPERAZIN-1-YL-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
1-(3,4,5-TRIMETHOXYPHENYL)-PIPERAZINEHYDROCHLORIDE
Potassium 4-(N,N-dimethylamino)phenyltrifluoroborate
ETHYL 3-METHYLTHIENO[2,3-C]ISOTHIAZOLE-5-CARBOXYLATE
1,2,3,4-tetrahydro-3-methyl-8-quinolinesulfonic acid
(S)-METHYL 3-AMINO-2,3-DIHYDRO-1H-INDENE-5-CARBOXYLATE HYDROCHLORIDE
6-Methyl-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
7-Methyl-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
(1r,4r)-4-((2-chloropyriMidin-4-yl)aMino)cyclohexanol
(3-CHLORO-4-(DIMETHYLCARBAMOYL)PHENYL)BORONIC ACID
cis-2-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride
4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
(R)-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxamide
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)methanimine
3-OXO-3-(3-METHYL-5-TRIFLUOROMETHYLPHENYL)-PROPIONITRILE
[3-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]boronic acid
2-FLUORO-5-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
methyl 4-(methylsulfanyl)-3-nitrobenzenecarboxylate
trans-4-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile(SALTDATA: FREE)
2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine
2-chloro-3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenol
AMINO-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-ACETIC ACID
6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride
Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate hydrochloride
Methyl 1,2,3,4-tetrahydro-8-isoquinolinecarboxylate hydrochloride (1:1)
2-(2-CHLORO-5-NITROPYRIDIN-4-YL)VINYL]DIMETHYLAMINE
Elvucitabine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Dexelvucitabine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
5-(1H-indol-3-ylmethylidene)imidazolidine-2,4-dione
4-[(3-Methylthiophen-2-yl)methylamino]-4-oxobutanoic acid
2-(Sulfomethyl)-1,3-thiazolidine-4-carboxylic acid
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1-carboxylate
A monocarboxylic acid anion that is the conjugate base of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-sulfomethyl-L-thioproline
A thiazolidinemonocarboxylic acid that is L-thioproline with a sulfomethyl group at position 2.
2-(Hydroxymethyl)-3-(2-oxo-2-hydroxyethyl)-4-(3-oxo-3-hydroxypropyl)-1H-pyrrole
[[(3S)-3-hydroxypent-4-enethioyl]amino] hydrogen sulfate
[[(3R)-3-hydroxypent-4-enethioyl]amino] hydrogen sulfate
5-(2-carboxyethyl)-4,6-dioxo-1H-pyridine-2-carboxylic acid
2-[(3-Methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitrile
7-Methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione
nitroglycerin
C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D053834 - Explosive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS