Exact Mass: 221.0334
Exact Mass Matches: 221.0334
Found 168 metabolites which its exact mass value is equals to given mass value 221.0334,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chloridazon
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).
5-(4-methylphenyl)-1,2-oxazole-4-carbonyl chloride
4-METHYL-2-(2-PYRAZINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbonyl chloride
5(4H)-OXAZOLONE, 4-[(4-CHLOROPHENYL)METHYLENE]-2-METHYL-
(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
2-CHLORO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
1-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
4-CHLORO-1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE
1-((2-(THIOPHEN-3-YL)THIAZOL-4-YL)METHYL)HYDRAZINE
(4-(5-Amino-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
ethyl 5-amino-3-methylthiophene-2-carboxylate,hydrochloride
Methyl 5-(2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
sodium [bis(2-hydroxyethyl)amino]methanesulphonate
2-(3-chloro-4-methoxyphenyl)ethanamine,hydrochloride
(E)-3-PHENYL-1-(4-[(E)-(3-PHENYL-ACRYLOYL)]-PHENYL)-PROPENONE
methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
(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)
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxylic acid
Pyrimidine, 4-(2-fluoro-4-pyridinyl)-2-(methylthio)-
1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
1-(2-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
(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
disodium 2-hydroxyethyliminodi(acetate)
1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
7,8-Dihydroxy-4-oxido-7,8-dihydroquinoline-2-carboxylate
3,4-Dihydro-7-hydroxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylate
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"}
