Exact Mass: 180.0998
Exact Mass Matches: 180.0998
Found 270 metabolites which its exact mass value is equals to given mass value 180.0998,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3-Hydroxykynurenamine
This compound belongs to the family of Phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Hydroxykynurenamine
5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase. [HMDB] 5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase.
L-2-Amino-3-(4-aminophenyl)propanoic acid
L-2-Amino-3-(4-aminophenyl)propanoic acid is found in pulses. L-2-Amino-3-(4-aminophenyl)propanoic acid is a constituent of the famine food Vigna vexillata
(4-Ethoxyphenyl)urea
CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6926; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6863 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6901; ORIGINAL_PRECURSOR_SCAN_NO 6899 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6900; ORIGINAL_PRECURSOR_SCAN_NO 6896 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900 (4-Ethoxyphenyl)urea is a sweetening agent about 250 times sweeter than sucrose. It is prohibited from human food use in U.S.A. and other countries
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione is isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho). Isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho)
Tyrosinamide
Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes. [HMDB] Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes.
(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
4-(1-Methyl-5-imidazolylmethyl)tetrahydrofuran-2-one
5-(1-Aminoethyl)3-pyridinecarboxylic acid methyl ester
1,4,4-Trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen|1,4,4-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene
5-propyl-pyrimidine-2-carboxylic acid methyl ester
3-Amino-4-methoxyacetaniline
CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3864; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3878; ORIGINAL_PRECURSOR_SCAN_NO 3875 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3869; ORIGINAL_PRECURSOR_SCAN_NO 3866 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3860; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3861; ORIGINAL_PRECURSOR_SCAN_NO 3859 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2278; ORIGINAL_PRECURSOR_SCAN_NO 2276 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2286; ORIGINAL_PRECURSOR_SCAN_NO 2285 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2289; ORIGINAL_PRECURSOR_SCAN_NO 2288 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6897; ORIGINAL_PRECURSOR_SCAN_NO 6893 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid
5-AMINO-6-METHYL-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER
Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde
(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol
Methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
5-Pyrimidinecarboxylicacid, 2,4-dimethyl-, ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, (3Z,8aS)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, [S-(E)]- (9CI)
1H-Imidazole-5-carboxylic acid,4-(1,1-dimethyl-2-propen-1-yl)-
3-cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
N-[(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-ETHANAMINE
Pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-2-methyl-3-methylene-
Benzoic acid, 3-methoxy-2-methyl-, hydrazide (9CI)
Ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate
Ethyl 1,4,5,6-Tetrahydrocyclopenta[c]Pyrazole-3-Carboxylate
5-METHYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLE-3-CARBOXYLIC ACID
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE)
Pyrrolo[1,2-a]pyrazin-4(6H)-one, 7,8-dihydro-1-methoxy-3-methyl- (9CI)
2-(Dimethylamino)-6-methyl-4-pyridinecarboxylicacid
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-6-methyl-3-methylene- (9CI)
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro-3-hydroxy-2,3-dimethyl- (9CI)
1H-Benzimidazole-5-carboxylic acid,4,5,6,7-tetrahydro-2-methyl- (9CI)
(4E)-4-[amino(nitroso)methylidene]-N,N-dimethyl-1H-pyridin-2-amine
2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid(SALTDATA: FREE)
1H-Imidazole-4-carboxylic acid,2-cyclopentyl- (9CI)
6-Hydroxy-pseudooxy-nornicotine
A hydroxypyridine that is pyridine substituted by 4-aminobutanoyl and hydroxy groups at positions 3 and 6, respectively. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.
(R)-salsolinol(1+)
A secondary ammonium ion that is the conjugate acid of (R)-salsolinol obtained by protonation of the amino group; major species at pH 7.3.
1,3,7-Trimethyl-1,2,3,7-tetrahydro-6H-purine-6-one
5-Hydroxykynurenamine
A hydroxykynurenamine where the hydroxy group is located at the 5-position.
3-Hydroxykynurenamine
A hydroxykynurenamine that is kynurenamine carrying a hydroxy group at position 3. It is a metabolite of tryptophan that exhibits antiinflammatory and immunomodulatory properties. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-tert-Butyl-O-thiocresol
{"Ingredient_id": "HBIN010924","Ingredient_name": "4-tert-Butyl-O-thiocresol","Alias": "NA","Ingredient_formula": "C11H16S","Ingredient_Smile": "CC1=C(C=CC(=C1)C(C)(C)C)S","Ingredient_weight": "180.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "84988","DrugBank_id": "NA"}
Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
{"Ingredient_id": "HBIN014421","Ingredient_name": "Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone","Alias": "2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698","Ingredient_formula": "C8H12N4O","Ingredient_Smile": "CC1=CC(=O)NC(=N1)NN=C(C)C","Ingredient_weight": "180.21","OB_score": "59.7049034","CAS_id": "66680-04-4","SymMap_id": "SMIT12537","TCMID_id": "NA","TCMSP_id": "MOL011666","TCM_ID_id": "NA","PubChem_id": "135460313","DrugBank_id": "NA"}
