Exact Mass: 248.0885
Exact Mass Matches: 248.0885
Found 177 metabolites which its exact mass value is equals to given mass value 248.0885,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sudan_I
C.i. solvent yellow 14 appears as dark reddish-yellow leaflets or orange powder. Slight odor. (NTP, 1992) Sudan I is a monoazo compound. It has a role as a dye. It is functionally related to a 2-naphthol. D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 5651
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
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
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
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-Ethyl-4H-indolo[3,2,1-de][1,5]naphthyridine-4-one
Trans-dec-8.en-4,6-diyn-1-yl-cis-3-methylthioacrylat
2,6-Dimethyl-4-amino-7-methoxy-3,5,8(2H)-isoquinolinetrione
3-ethoxycarbonyl-3-hydroxyglutaric acid 1,5-dimethyl ester
1,3-Dimethyl-6-propionylpteridine-2,4(1H,3H)-dione
Thiamet G
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
Sudan I
CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10862; ORIGINAL_PRECURSOR_SCAN_NO 10860 D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10878; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10910; ORIGINAL_PRECURSOR_SCAN_NO 10908 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10917; ORIGINAL_PRECURSOR_SCAN_NO 10916 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10908; ORIGINAL_PRECURSOR_SCAN_NO 10905 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10943; ORIGINAL_PRECURSOR_SCAN_NO 10942
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-
5-(2,5-dimethoxyphenyl)-1h-pyrazole-3-carboxylic acid
Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
6-(1,1-DIMETHYLPROPYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
(4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
ethyl 5-hydroxy-2-oxo-1,3-dihydropyrido[4,3-b]azepine-4-carboxylate
3-(2-amino-2-carboxyethyl)-1H-indole-4-carboxylic acid
(1R)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
(1S)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Propanebis(thioic)acid,S1,S3-bis(1,1-dimethylethyl) ester
(2-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
ETHYL 8-METHOXY-4-OXO-1,4-DIHYDRO-1,5-NAPHTHYRIDINE-3-CARBOXYLATE
Propanedioic acid, 2-[(2E)-3-chloro-2-propen-1-yl]-2-(1-methylethyl)-, 1,3-dimethyl ester
4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
4-(1-pyrrolidinylmethyl)-benzenamine dihydrochloride
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
(3-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzoic acid
1-ethyl-3-methylimidazol-3-ium,trifluoro(trifluoromethyl)boranuide
6-CHLORO-N4-(1-PHENYL-ETHYL)-PYRIMIDINE-4,5-DIAMINE
3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
ETHYL 4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
Piperazine,1-(4-methylphenyl)-, hydrochloride (1:2)
CYCLOPENTYLMETHYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
3-(2,5-dioxo-4-phenyl-imidazolidin-4-yl)propanoic acid
1H-1,2,4-Triazole-3-carboxamide,N-(3,4-dimethoxyphenyl)-(9CI)
Ethyl 6-acetoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Topiroxostat
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors
1-(4-Methoxy-phenyl)-5-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID
1,2,5,6-TETRAHYDRO-6-(2-HYDROXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
methyl 4-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxylate
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
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
(9-OXO-4,5,6,7,8,9-HEXAHYDRO-[1,2,4]TRIAZOLO-[5,1-B]QUINAZOLIN-2-YL)-ACETIC ACID
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
1,2,3,4-TETRAHYDRO-4-(P-HYDROXYPHENYL)-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
Censavudine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
4-[2-(2,4-Dioxopentan-3-ylidene)hydrazinyl]benzoic acid
2-(1-Methoxy-2-(naphthalen-1-yl)ethylidene)malononitrile
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
5-Hydroxyindoleacetylglycine
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.
anticancer alkaloid pmv70p691-050
{"Ingredient_id": "HBIN016308","Ingredient_name": "anticancer alkaloid pmv70p691-050","Alias": "NA","Ingredient_formula": "C16H12N2O","Ingredient_Smile": "COC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
