Exact Mass: 248.07970319999998
Exact Mass Matches: 248.07970319999998
Found 157 metabolites which its exact mass value is equals to given mass value 248.07970319999998,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pyrimethamine
Pyrimethamine is only found in individuals that have used or taken this drug. It is one of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis. [PubChem]Pyrimethamine inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver. CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7128; ORIGINAL_PRECURSOR_SCAN_NO 7126 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7093; ORIGINAL_PRECURSOR_SCAN_NO 7091 P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
5-Hydroxyindoleacetylglycine
C12H12N2O4 (248.07970319999998)
5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832] [HMDB] 5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832].
1-Hydroxy-6-methoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
p-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)
p-Hydroxyphenobarbital is a metabolite of Phenobarbital. Phenobarbital (INN) is a barbiturate and the most widely used anticonvulsant worldwide, and the oldest still commonly used. It also has sedative and hypnotic properties. (Wikipedia)
Hydroxynalidixic acid
C12H12N2O4 (248.07970319999998)
Hydroxynalidixic acid is a metabolite of nalidixic acid. Nalidixic acid (tradenames Nevigramon, Neggram, Wintomylon and WIN 18,320) is the first of the synthetic quinolone antibiotics. In the technical sense, it is a naphthyridone, not a quinolone: its ring structure is a 1,8-naphthyridine nucleus that contains two nitrogen atoms, unlike quinoline, which has a single nitrogen atom. (Wikipedia)
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].
2-(5'-methylthio)pentylmalate
2-(5-methylthio)pentylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(5-methylthio)pentylmalate can be found in a number of food items such as colorado pinyon, yellow bell pepper, asian pear, and celery stalks, which makes 2-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
3-(5'-methylthio)pentylmalate
3-(5-methylthio)pentylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(5-methylthio)pentylmalate can be found in a number of food items such as evening primrose, other bread, sunflower, and broad bean, which makes 3-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Harmine
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Trans-dec-8.en-4,6-diyn-1-yl-cis-3-methylthioacrylat
2,6-Dimethyl-4-amino-7-methoxy-3,5,8(2H)-isoquinolinetrione
C12H12N2O4 (248.07970319999998)
3-ethoxycarbonyl-3-hydroxyglutaric acid 1,5-dimethyl ester
Selisistat
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Thiamet G
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
pyrimethamine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists [Raw Data] CB119_Pyrimethamine_pos_50eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_40eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_30eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_20eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_10eV_CB000043.txt
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-
C12H12N2O4 (248.07970319999998)
p-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)
EX-527
Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
2-(3-OXO-PIPERAZINE-1-CARBONYL)-BENZOIC ACID
C12H12N2O4 (248.07970319999998)
2-piperidin-3-ylaniline,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
5-(2,5-dimethoxyphenyl)-1h-pyrazole-3-carboxylic acid
C12H12N2O4 (248.07970319999998)
(4-METHYL-1,3-THIAZOL-2-YL)ACETONITRILE
C12H12N2O4 (248.07970319999998)
1,1-(1,4-Butanediyl)bis(1H-pyrrole-2,5-dione)
C12H12N2O4 (248.07970319999998)
Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
C12H12N2O4 (248.07970319999998)
5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
C12H12N2O4 (248.07970319999998)
6-(1,1-DIMETHYLPROPYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
C12H12N2O4 (248.07970319999998)
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
C12H12N2O4 (248.07970319999998)
1-Benzylpiperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-(4-Nitrobenzoyl)tetrahydro-4(1H)-pyridinone
C12H12N2O4 (248.07970319999998)
(4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
ethyl 5-hydroxy-2-oxo-1,3-dihydropyrido[4,3-b]azepine-4-carboxylate
C12H12N2O4 (248.07970319999998)
3-(2-amino-2-carboxyethyl)-1H-indole-4-carboxylic acid
C12H12N2O4 (248.07970319999998)
(1R)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
(1S)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-(3-Methylphenyl)piperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
ethyl 1-methyl-5-nitroindole-2-carboxylate
C12H12N2O4 (248.07970319999998)
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C12H12N2O4 (248.07970319999998)
EX-527 (S-enantiomer)
(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC50 of 98 nM.
(2-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
4-(TERT-BUTOXY)-2,3,5,6-TETRAFLUOROSTYRENE
C12H12F4O (248.08242299999998)
4-(3-Piperidyl)aniline Dihydrochloride
C11H18Cl2N2 (248.08469680000002)
ETHYL 8-METHOXY-4-OXO-1,4-DIHYDRO-1,5-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
Propanedioic acid, 2-[(2E)-3-chloro-2-propen-1-yl]-2-(1-methylethyl)-, 1,3-dimethyl ester
1-(2-methylphenyl)piperazine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C12H12N2O4 (248.07970319999998)
4-(1-pyrrolidinylmethyl)-benzenamine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
3-(3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)BENZONITRILE
(2-PROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(4-PROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(3-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(3-PROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzoic acid
6-CHLORO-N4-(1-PHENYL-ETHYL)-PYRIMIDINE-4,5-DIAMINE
3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
ETHYL 4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
(3-Trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid
Piperazine,1-(4-methylphenyl)-, hydrochloride (1:2)
C11H18Cl2N2 (248.08469680000002)
CYCLOPENTYLMETHYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
C11H18Cl2N2 (248.08469680000002)
3-acetamido-5-methoxy-1H-indole-2-carboxylate
C12H12N2O4 (248.07970319999998)
3-(2,5-dioxo-4-phenyl-imidazolidin-4-yl)propanoic acid
C12H12N2O4 (248.07970319999998)
Ethyl 6-acetoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
C12H12N2O4 (248.07970319999998)
Topiroxostat
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors
N-phenylpiperidin-4-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-Phenyl-4-piperidinamine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
4-piperidin-4-ylmethylpyridine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
(S)-3-amino-1-benzylpyrrolidine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-(4-Methoxy-phenyl)-5-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
C12H12N2O4 (248.07970319999998)
(r)-3-amino-1-benzylpyrrolidine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
5-DIMETHYLAMINO-2-(2-THIAZOLYLAZO)PHENOL
C11H12N4OS (248.07317819999997)
(3-Butoxy-2,4,6-trifluorophenyl)boronic acid
C10H12BF3O3 (248.08315480000002)
6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
C11H12N4OS (248.07317819999997)
6-Benzothiazolamine,2-propyl-(9CI)
C12H12N2O4 (248.07970319999998)
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID
C12H12N2O4 (248.07970319999998)
1,2,5,6-TETRAHYDRO-6-(2-HYDROXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
methyl 4-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxylate
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
Triethyloxonium hexafluorophosphate(1-)
C6H15F6OP (248.07646619999997)
a-D-Xylofuranose,1,2-O-(1-methylethylidene)-, 5-(methyl carbonate) (9CI)
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOICACIDMETHYLESTER
C12H12N2O4 (248.07970319999998)
2-Benzylpiperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
C12H12N2O4 (248.07970319999998)
1,2,3,4-TETRAHYDRO-4-(P-HYDROXYPHENYL)-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
Censavudine
C12H12N2O4 (248.07970319999998)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
C11H12N4OS (248.07317819999997)
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
(R)-Selisistat ((R)-EX-527) is a R-enantiomer of Selisistat. Selisistat (EX-527) is a potent and selective SIRT1 inhibitor with IC50 of 98 nM.
4-[2-(2,4-Dioxopentan-3-ylidene)hydrazinyl]benzoic acid
C12H12N2O4 (248.07970319999998)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester
C12H12N2O4 (248.07970319999998)
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
C11H12N4OS (248.07317819999997)
6-methyl-2-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one
C11H12N4OS (248.07317819999997)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
C12H12N2O4 (248.07970319999998)
5-Hydroxyindoleacetylglycine
C12H12N2O4 (248.07970319999998)
An N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine.
7,8-Dihydropyrene-7-carboxylate
A member of the class of pyrenes that is 1,2-dihydropyrene substituted by a carboxy group at position 2.
4-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)