Exact Mass: 248.05455279999998
Exact Mass Matches: 248.05455279999998
Found 135 metabolites which its exact mass value is equals to given mass value 248.05455279999998,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pyridoxamine 5'-phosphate
C8H13N2O5P (248.05620580000001)
Pyridoxamine 5-phosphate belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in the liver to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. KEIO_ID P113; [MS3] KO009146 KEIO_ID P113; [MS2] KO009143 KEIO_ID P113
Dapsone
A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8) CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5725; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5704 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5675; ORIGINAL_PRECURSOR_SCAN_NO 5671 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5709; ORIGINAL_PRECURSOR_SCAN_NO 5707 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5694; ORIGINAL_PRECURSOR_SCAN_NO 5692 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5720; ORIGINAL_PRECURSOR_SCAN_NO 5718 J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3644 CONFIDENCE standard compound; INTERNAL_ID 1024 KEIO_ID A220; [MS2] KO008829 KEIO_ID A220 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Indolo[2,1-b]quinazoline-6,12-dione
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
L-beta-aspartyl-L-aspartic acid
L-beta-aspartyl-l-aspartic acid is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
Aspartyl-Aspartate
Aspartyl-Aspartate is a dipeptied compoosed of two aspartate residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Enoximone
Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
Nitrefazole
C10H8N4O4 (248.05455279999998)
C471 - Enzyme Inhibitor
Sodium glucoheptonate
C7H13NaO8 (248.05080980000002)
It is used as a food additive .
1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea
C10H11F3N2S (248.05950019999997)
Couropitin A|Couroupitin A|Couroupitine A|indolo[1,2-h][1,7]naphthyridine-6,12-dione
Indigoidine
C10H8N4O4 (248.05455279999998)
A member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine.
Asp-Asp
A dipeptide formed from two L-aspartic acid units. Beta-Aspartylaspartic acid is an aspartic acid derivative. β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
4Y6E3F2U66
Tryptanthrine is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound and an alkaloid antibiotic. Indolo[2,1-b]quinazoline-6,12-dione is a natural product found in Isatis tinctoria, Cissus discolor, and other organisms with data available. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
dapsone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,3-Sulfonyldianiline
CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5699; ORIGINAL_PRECURSOR_SCAN_NO 5698 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5698; ORIGINAL_PRECURSOR_SCAN_NO 5694 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5724; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5730 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5745; ORIGINAL_PRECURSOR_SCAN_NO 5744 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5735; ORIGINAL_PRECURSOR_SCAN_NO 5733
Enoximone
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
1H-1,2,4-Triazole-3-carboxamide,N-(4,7-dihydro-2,1,3-benzothiadiazol-4-yl)-
5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
Sulfabenz
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER
Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate
Nimazone
C11H9ClN4O (248.04648539999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C9H18BBrO2 (248.05831380000004)
THIENO[3,4-B]-1,4-DIOXIN, 2,3-DIHYDRO-5-(4-METHOXYPHENYL)-
5-(4-methoxy-2-methylphenyl)thiophene-2-carboxylic acid
2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone
2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid
C9H8BF3O4 (248.04677139999998)
1-[4-(3-bromopropyl)piperazin-1-yl]ethanone
C9H17BrN2O (248.05241719999998)
ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE
2-amino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid
C7H12N4O4S (248.05792319999998)
2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione
ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile
C12H13ClN2Si (248.05364880000002)
3-methyl-5-nitro-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
C10H8N4O4 (248.05455279999998)
5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride
2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid
[6-(4-chloroanilino)pyridin-3-yl]boronic acid
C11H10BClN2O2 (248.05238200000002)
(2-(METHOXYCARBONYL)-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
(2-(METHOXYCARBONYL)-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE
S-Ethyl-N-[4-(trifluoromethyl)phenyl]isothiourea
C10H11F3N2S (248.05950019999997)
N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
C12H9FN2O3 (248.05971759999997)
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Tryptanthrin
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole
C10H8F4N2O (248.05727259999998)
5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
pyridoxamine phosphate
C8H13N2O5P (248.05620580000001)
A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.
β-Aspartylaspartic acid
β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1,5,7,10,12,14,16-heptaene-4,9-dione
(e)-5,5'-diamino-2,2'-dihydroxy-[3,3'-bipyridinylidene]-6,6'-dione
C10H8N4O4 (248.05455279999998)
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1(17),2,5,7,10,13,15-heptaene-4,9-dione
methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate
(2s)-2-{[(2s)-2-amino-3-carboxy-1-hydroxypropylidene]amino}butanedioic acid
5'-amino-2,2',6'-trihydroxy-5-imino-[3,3'-bipyridin]-6-one
C10H8N4O4 (248.05455279999998)