Exact Mass: 221.00103140000002
Exact Mass Matches: 221.00103140000002
Found 405 metabolites which its exact mass value is equals to given mass value 221.00103140000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chloridazon
C10H8ClN3O (221.03558679999998)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 88 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3286; ORIGINAL_PRECURSOR_SCAN_NO 3284 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3279 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3275 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6942; ORIGINAL_PRECURSOR_SCAN_NO 6938 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6890; ORIGINAL_PRECURSOR_SCAN_NO 6885 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3352; ORIGINAL_PRECURSOR_SCAN_NO 3350 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3282; ORIGINAL_PRECURSOR_SCAN_NO 3278 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6929; ORIGINAL_PRECURSOR_SCAN_NO 6927 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6909; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 281; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3278; ORIGINAL_PRECURSOR_SCAN_NO 3276 CONFIDENCE standard compound; INTERNAL_ID 3300 CONFIDENCE standard compound; INTERNAL_ID 4018 CONFIDENCE standard compound; INTERNAL_ID 2317 CONFIDENCE standard compound; INTERNAL_ID 8402
Quinmerac
CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6893; ORIGINAL_PRECURSOR_SCAN_NO 6889 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6909; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6942; ORIGINAL_PRECURSOR_SCAN_NO 6938 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6876; ORIGINAL_PRECURSOR_SCAN_NO 6873 CONFIDENCE standard compound; INTERNAL_ID 240; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6911; ORIGINAL_PRECURSOR_SCAN_NO 6909 INTERNAL_ID 240; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6944; ORIGINAL_PRECURSOR_SCAN_NO 6942 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3720 CONFIDENCE standard compound; INTERNAL_ID 8469 CONFIDENCE standard compound; INTERNAL_ID 2552
S-(3-Oxo-3-carboxy-n-propyl)cysteine
A cystathionine metabolite found in the urine of cystathioninuria patients; has a priming effect on 02- generation in human neutrophils (Biochemical and Biophysical Research Communications S-(3-Oxo-3-carboxy-n-propyl)cysteine, abbreviated as OCPC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
S-(2-Oxo-2-carboxyethyl)homocysteine
S-(2-Oxo-2-carboxyethyl)homocysteine, abbreviated as OCEHC, is a cystathionine mono-oxo acid metabolite found in the urine of a cystathioninuria patient (PMID: 8373176).
β,3,4-Trihydroxybenzenepropanoic acid
C9H10NaO5+ (221.04259100000002)
5-(4-methylphenyl)-1,2-oxazole-4-carbonyl chloride
5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
C10H5ClFN3 (221.01560120000002)
4-(6-chloropyrimidin-4-yl)oxyaniline
C10H8ClN3O (221.03558679999998)
2-CHLORO-N-(5-METHOXYMETHYL-[1,3,4]THIADIAZOL-2-YL)-ACETAMIDE
methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4-METHYL-2-(2-PYRAZINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
N,N-DIMETHYL-4-(TRIFLUOROMETHYLTHIO)ANILINE
C9H10F3NS (221.04860159999998)
6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID
4-(2,4,6-Trifluorophenyl)-3-thiosemicarbazide
C7H6F3N3S (221.02345119999998)
5-AMINOMETHYL-7-CHLORO-1 3-BENZODIOXOLE&
C8H9Cl2NO2 (221.00103140000002)
2-Thiophenecarboxamide,N-(3-fluorophenyl)-
C11H8FNOS (221.03106099999997)
N-(4-Fluorophenyl)-2-thiophenecarboxamide
C11H8FNOS (221.03106099999997)
methyl 6-(chloromethyl)pyridine-3-carboxylate hydrochloride
C8H9Cl2NO2 (221.00103140000002)
4-AMINO-5-CHLORO-2-PHENYL-2H-PYRIDAZIN-3-ONE
C10H8ClN3O (221.03558679999998)
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbonyl chloride
C10H8ClN3O (221.03558679999998)
2-(2-chloroquinazolin-4-yl)acetaMide
C10H8ClN3O (221.03558679999998)
2,6-dichloro-N-methyl-3-nitropyridin-4-amine
C6H5Cl2N3O2 (220.97588100000002)
6-chloro-5-methoxypyridine-2-carboximidamide,hydrochloride
5(4H)-OXAZOLONE, 4-[(4-CHLOROPHENYL)METHYLENE]-2-METHYL-
3H-1,2-Dithiole-4-carboxylicacid, 5-amino-3-thioxo-, ethyl ester
5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
C6H4ClNO4S (220.95495739999998)
(R)-3-AMINO-4-(2-THIENYL)BUTANOIC ACID HYDROCHLORIDE
(s)-3-amino-4-(2-thienyl)butanoic acid hydrochloride
3-(4-Chlorophenyl)-5-Methylisoxazole-4-carboxaldehyde
methyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
C7H12BrNO2 (221.00513519999998)
2-CHLORO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
C10H8ClN3O (221.03558679999998)
1-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
C6H5Cl2N3O2 (220.97588100000002)
Boronic acid, B-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-
methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
C11H8FNO3 (221.04881899999998)
Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
C6H5Cl2N3O2 (220.97588100000002)
4-CHLORO-1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE
6-(chloromethyl)-2-(2-pyridyl)pyrimidin-4-ol
C10H8ClN3O (221.03558679999998)
1H-Benzimidazole-2-carboxylic acid, 5-nitro-, Methyl ester
Methyl 6-amino-2,5-dichloropyrimidine-4-carboxylate
C6H5Cl2N3O2 (220.97588100000002)
1-((2-(THIOPHEN-3-YL)THIAZOL-4-YL)METHYL)HYDRAZINE
3-chloro-n-(chloroacetyl)-4-fluoroaniline
C8H6Cl2FNO (220.98104579999998)
METHANESULFONIC ACID 2-CHLOROPYRIDIN-4-YLMETHYL ESTER
AMINO-(3-CHLORO-PHENYL)-ACETIC ACID HCL
C8H9Cl2NO2 (221.00103140000002)
Methyl 5-(4-fluorophenyl)oxazole-4-carboxylate
C11H8FNO3 (221.04881899999998)
4,6-Dichloro-2-ethyl-5-nitropyrimidine
C6H5Cl2N3O2 (220.97588100000002)
(4-(5-Amino-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
ethyl 5-amino-3-methylthiophene-2-carboxylate,hydrochloride
4-(trifluoromethoxy)benzenecarbothioamide
C8H6F3NOS (221.01221819999998)
5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
C11H8FNO3 (221.04881899999998)
5-Chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
Methyl 5-(2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
4-Chloro-6-methoxy-3-pyridinecarboximidamide hydrochloride (1:1)
sodium [bis(2-hydroxyethyl)amino]methanesulphonate
C5H12NNaO5S (221.03338619999997)
4-CHLORO-5-METHOXY-2-(PYRIDIN-4-YL)PYRIMIDINE
C10H8ClN3O (221.03558679999998)
4-chloro-2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
2-(3-chloro-4-methoxyphenyl)ethanamine,hydrochloride
(E)-3-PHENYL-1-(4-[(E)-(3-PHENYL-ACRYLOYL)]-PHENYL)-PROPENONE
1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Ethyl 4-chloronicotinate hydrochloride
C8H9Cl2NO2 (221.00103140000002)
5-CHLORO-6-METHYL-2-(2-PYRIDYL)PYRIMIDIN-4-OL
C10H8ClN3O (221.03558679999998)
Methyl 3-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
methyl 6-nitro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-chloro-N-(4-chloro-2-fluorophenyl)acetamide
C8H6Cl2FNO (220.98104579999998)
(s)-3-amino-4-(3-thienyl)butanoic acid hydrochloride
(Z)-4-(4-CHLOROBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzoic acid(SALTDATA: FREE)
Thieno[3,2-b]pyridine-3-carbonitrile, 4,5-dihydro-7-hydroxy-2-(methylamino)-5-oxo- (9CI)
(8-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)(PHENYL)METHANONE
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxylic acid
[2-(4,5-Dichloro-3-methyl-1H-pyrazol-1-yl)butyl]amine
Pyrimidine, 4-(2-fluoro-4-pyridinyl)-2-(methylthio)-
C10H8FN3S (221.04229399999997)
D-(-)-α-AMino-3-chlorophenylacetyl chloride (hydrochloride)
C8H9Cl2NO2 (221.00103140000002)
2-Chloro-4-methoxy-6-(4-pyridinyl)pyrimidine
C10H8ClN3O (221.03558679999998)
2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1)
8-Chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
ethyl 3,4-dichloro-5-methyl-1H-pyrrole-2-carboxylate
C8H9Cl2NO2 (221.00103140000002)
1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
C10H8ClN3O (221.03558679999998)
1-(2-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
C10H8ClN3O (221.03558679999998)
2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methylene]-
(2-(2,2,2-Trifluoroethoxy)pyridin-3-yl)boronic acid
4-Chloro-5-Methoxy-2-(2-pyridyl)pyrimidine
C10H8ClN3O (221.03558679999998)
Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
3-(6-CHLORO-3-PYRIDAZINYLOXY)PHENYLAMINE
C10H8ClN3O (221.03558679999998)
IMIDAZO[1,2-B]PYRIDAZINE, 6-CHLORO-2-TRIFLUOROMETHYL-
(r)-3-amino-4-(3-thienyl)butanoic acid hydrochloride
1,2,4-Thiadiazole,3-methyl-5-(4-nitrophenyl)-(9CI)
4-(3-FLUORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
C11H8FNO3 (221.04881899999998)
disodium 2-hydroxyethyliminodi(acetate)
C6H9NNa2O5 (221.02761040000001)
METHYL 8-FLUORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE
C11H8FNO3 (221.04881899999998)
4-Chloro-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile
C9H4ClN3S (220.98144539999998)
2-AMINO-3-(METHYLTHIOMETHYL)BENZOTRIFLUORIDE
C9H10F3NS (221.04860159999998)
1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
4-Methyl-5-(2-phosphonatooxyethyl)thiazole(2-)
C6H8NO4PS-2 (220.99116579999998)
7,8-Dihydroxy-4-oxido-7,8-dihydroquinoline-2-carboxylate
(1-Amino-2-phosphonooxyethyl)phosphonic acid
C2H9NO7P2 (220.98542640000002)
N-(3-chlorophenyl)-1H-imidazole-5-carboxamide
C10H8ClN3O (221.03558679999998)
N-methylperfluoromethane sulfonamido acetic acid
C4H6F3NO4S (220.99696319999998)
3,4-Dihydro-7-hydroxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylate
4-Methyl-5-(2-phosphonatooxyethyl)thiazole(2-)
C6H8NO4PS (220.99116579999998)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3.
Eglumegad (hydrochloride)
C8H12ClNO4 (221.04548219999998)
Eglumegad (LY354740) hydrochloride is a highly potent and selective group II (mGlu2/3) receptor agonist with IC50s of 5 and 24 nM on transfected human mGlu2 and mGlu3 receptors, respectively. Eglumegad hydrochloride protects neurons from NMDA toxicity. Eglumegad hydrochloride has anxiolytic- and antipsychotic-like effects[1].
3,4-dimethylthioquinoline
{"Ingredient_id": "HBIN007458","Ingredient_name": "3,4-dimethylthioquinoline","Alias": "NA","Ingredient_formula": "C11H11NS2","Ingredient_Smile": "CSC1=C(C2=CC=CC=C2N=C1)SC","Ingredient_weight": "221.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "613533","DrugBank_id": "NA"}