Exact Mass: 221.0156
Exact Mass Matches: 221.0156
Found 450 metabolites which its exact mass value is equals to given mass value 221.0156,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
L-histidinol-phosphate
L-histidinol-phosphate is a member of the class of compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. L-histidinol-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). L-histidinol-phosphate can be found in a number of food items such as sorghum, devilfish, spearmint, and deerberry, which makes L-histidinol-phosphate a potential biomarker for the consumption of these food products. L-histidinol-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).
methibenzuron
CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8642 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8645; ORIGINAL_PRECURSOR_SCAN_NO 8643 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8589; ORIGINAL_PRECURSOR_SCAN_NO 8584 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8593; ORIGINAL_PRECURSOR_SCAN_NO 8591 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8647; ORIGINAL_PRECURSOR_SCAN_NO 8645 CONFIDENCE standard compound; INTERNAL_ID 465; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8557; ORIGINAL_PRECURSOR_SCAN_NO 8555
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).
1-ISOTHIOCYANATO-6-(METHYLSULFONYL)-HEXANE
Acquisition and generation of the data is financially supported in part by CREST/JST.
(Z)-Dimethyl 1-methyl-4-oxoimidazolidin-2-ylidenephosphoramidate
O-ethyl N-(E)-4-(methylsulfinyl)but-3-enylcarbamothioate
5-(4-methylphenyl)-1,2-oxazole-4-carbonyl chloride
5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID
Acetamide, N-(6-amino-4-methyl-2-benzothiazolyl)- (9CI)
methyl 6-(chloromethyl)pyridine-3-carboxylate hydrochloride
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbonyl chloride
6-chloro-5-methoxypyridine-2-carboximidamide,hydrochloride
5(4H)-OXAZOLONE, 4-[(4-CHLOROPHENYL)METHYLENE]-2-METHYL-
Urea, 1-methyl-3-(6-methyl-2-benzothiazolyl)- (8CI)
Urea, 1-methyl-1-(6-methyl-2-benzothiazolyl)- (7CI)
(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
Urea, N-methyl-N-(4-methyl-2-benzothiazolyl)- (9CI)
methyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
2-CHLORO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
1-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Boronic acid, B-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-
N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide
Pyridinium,3-hydroxy-1-(phenylmethyl)-, chloride (1:1)
Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
4-CHLORO-1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE
1H-Benzimidazole-2-carboxylic acid, 5-nitro-, Methyl ester
4,5-DIMETHYL-2-(1H-PYRROL-1-YL)THIOPHENE-3-CARBOXYLIC ACID
Methyl 6-amino-2,5-dichloropyrimidine-4-carboxylate
1-((2-(THIOPHEN-3-YL)THIAZOL-4-YL)METHYL)HYDRAZINE
Ethanone,2-amino-1-(2-naphthalenyl)-, hydrochloride (1:1)
METHANESULFONIC ACID 2-CHLOROPYRIDIN-4-YLMETHYL ESTER
(R)-6-CHLORO-2,3,4,5-TETRAHYDRO-1-(4-HYDROXYPHENYL)-1H-3-BENZAZEPINE-7,8-DIOL
5-ACETYL-4-AMINO-6-METHYL-2-(METHYLTHIO)PYRIDINE-3-CARBONITRILE
Acetamide, N-(2-amino-6-methyl-5-benzothiazolyl)- (9CI)
(4-(5-Amino-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
ethyl 5-amino-3-methylthiophene-2-carboxylate,hydrochloride
3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
5-FLUORO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
4-ALLYL-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
5-AMINO-6-METHYL-1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-ONE
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
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
5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
(Z)-4-(2-ethoxyvinyl)-2-(Methylthio)pyrimidine-5-carbonitrile
4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
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
(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)
3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOXYLIC ACID HYDRAZIDE
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
Urea, N-methyl-N-(7-methyl-2-benzothiazolyl)- (9CI)
Urea, N-methyl-N-(5-methyl-2-benzothiazolyl)- (9CI)
Pyrimidine, 4-(2-fluoro-4-pyridinyl)-2-(methylthio)-
D-(-)-α-AMino-3-chlorophenylacetyl chloride (hydrochloride)
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
1-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
1-(2-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
2-Methoxy-5-trifluoromethylpyridine-3-boronic acid
2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methylene]-
(2-(2,2,2-Trifluoroethoxy)pyridin-3-yl)boronic acid
Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
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)
1-(5-Amino-2-phenyl-[1,3,4]thiadiazol-3-yl)-ethanone
4-(3-FLUORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
disodium 2-hydroxyethyliminodi(acetate)
4-Chloro-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile
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-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
3,4-Dihydro-7-hydroxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylate
4-Methyl-5-(2-phosphonatooxyethyl)thiazole(2-)
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)
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"}
