Exact Mass: 217.0294
Exact Mass Matches: 217.0294
Found 500 metabolites which its exact mass value is equals to given mass value 217.0294,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Propanil
CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4459; ORIGINAL_PRECURSOR_SCAN_NO 4456 CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4491; ORIGINAL_PRECURSOR_SCAN_NO 4488 CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4496; ORIGINAL_PRECURSOR_SCAN_NO 4493 CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4487; ORIGINAL_PRECURSOR_SCAN_NO 4485 CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4491; ORIGINAL_PRECURSOR_SCAN_NO 4487 CONFIDENCE standard compound; INTERNAL_ID 1341; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3051 CONFIDENCE standard compound; INTERNAL_ID 2331 CONFIDENCE standard compound; INTERNAL_ID 8484 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
3-(Acetamidomethylidene)-2-(hydroxymethyl)succinic acid
5-Fluorowillardiine
An alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively).
(2S)-3-(3-Carbamoyloxiranylcarbonylamino)-2-aminopropanoic acid
(R)-3-(indol-3-yl)-2-oxobutyric acid
The (R)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid.
ABD-F
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Lycoperdic acid
Lycoperdic acid is found in mushrooms. Lycoperdic acid is isolated from the mushroom Lycoperdon perlatum (common puffball
Tyramine-O-sulfate
Tyramine-O-sulfate is a sulfate derivative of tyramine. Tyramine is formed from the decarboyxlation of tyrosine. Tyramine O-sulfate is found in the urine of patients following an oral load of tyramine with unipolar and bipolar major depressive episode. (PMID: 8432957, 2175186) [HMDB] Tyramine-O-sulfate is a sulfate derivative of tyramine. Tyramine is formed from the decarboyxlation of tyrosine. Tyramine O-sulfate is found in the urine of patients following an oral load of tyramine with unipolar and bipolar major depressive episode. (PMID: 8432957, 2175186).
4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
D007155 - Immunologic Factors
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
Potassium cyclamate
It is used as a food additive, prohibited .
4-amino-2-methyl-5-phosphomethylpyrimidine
4-amino-2-methyl-5-phosphomethylpyrimidine, also known as hmp-P, belongs to aminopyrimidines and derivatives class of compounds. Those are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 4-amino-2-methyl-5-phosphomethylpyrimidine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 4-amino-2-methyl-5-phosphomethylpyrimidine can be found in a number of food items such as chives, chestnut, common hazelnut, and lupine, which makes 4-amino-2-methyl-5-phosphomethylpyrimidine a potential biomarker for the consumption of these food products.
H-Ise(3-Phenyl)-OH.HCl
5-(2-Cyanoethyl)-2-mercapto-4,6-dimethylnicotinonitrile
2-(Allyl-thiocarbamoylmercapto)-pentan-3-on|2-(N-Allyl-thiocarbamoylmercapto)-pentanon-(3)|allyl-dithiocarbamic acid 1-methyl-2-oxo-butyl ester|allyl-dithiocarbamic acid-(1-methyl-2-oxo-butyl ester)|Allyl-dithiocarbamidsaeure-(1-methyl-2-oxo-butylester)
7-Methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dione
2,4-dihydro-4-(beta-D-ribofuranosyl)-1,2,4(3H)-triazol-3-one|4-beta-D-Ribofuranosyl-1,2,4-triazol-3(2H)-one|4-beta-D-ribofuranosyl-1,2,4-triazolin-3-one
acridinic acid
CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2825; ORIGINAL_PRECURSOR_SCAN_NO 2823 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2828; ORIGINAL_PRECURSOR_SCAN_NO 2826 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2873; ORIGINAL_PRECURSOR_SCAN_NO 2871 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2867; ORIGINAL_PRECURSOR_SCAN_NO 2865
4-nitrotoluene-2-sulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4459; ORIGINAL_PRECURSOR_SCAN_NO 4456 CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4491; ORIGINAL_PRECURSOR_SCAN_NO 4488 CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4487; ORIGINAL_PRECURSOR_SCAN_NO 4485 CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4491; ORIGINAL_PRECURSOR_SCAN_NO 4487 CONFIDENCE standard compound; INTERNAL_ID 1268; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4496; ORIGINAL_PRECURSOR_SCAN_NO 4493
1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-methylthiourea
Sulfamide, [2-hydroxy-5-(methylamino)phenyl]- (9CI)
5-CYANO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
N,N-Bis(2-chloroethyl)aniline
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)acetamide
1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester
methyl 4-methyl-1-oxo-2H-isoquinoline-3-carboxylate
(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanylmethanethioic S-acid
4-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL-PHENYLAMINE
ethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI)
Methyl 2-((4-hydroxyphenyl)amino)acetate hydrochloride
1-(2-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
3-AMINO-3-(3,5-DIFLUORO-6-HYDROXY-PHENYL)-PROPIONIC ACID
METHYL 2-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-6-CARBOXYLATE
Tinazoline
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
6-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
(Z)-4-(4-METHOXYBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate,hydrochloride
sodium,5-amino-2H-phthalazin-3-ide-1,4-dione,hydrate
(alphaS)-3-Bromo-4-fluoro-alpha-MethylbenzeneMethanamine
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-METHYLPHENYL)-
(2-Chloro-3-(dimethoxymethyl)pyridin-4-yl)methanol
1,4-Dihydro-1,2-dimethyl-4-oxo -3-quilinecarboxylic acid
8-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
1-(2-DIBENZYLAMINO-4-METHYL-THIAZOL-5-YL)-3-(2,5-DIHYDRO-2-DIBENZYLIMMONIUM-4-METHYL-THIAZOL-5-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
2-Fluoro-6-methylpyridine-3-trifluoroborate potassium salt
5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonitrile
2-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid
(4-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-CARBAMICACIDTERT-BUTYLESTER
(2e)-3-[6-(trifluoromethyl)pyridin-3-yl]propenoicacid
2-amino-10H-[1,3,5]triazino[1,2-a]benzimidazole-4-thione
6-AMINO-5-(CHLOROACETYL)-1-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
2-(1-METHYL-1H-INDOL-3-YL)-2-OXOACETIC ACID METHYL ESTER
N-Hydroxyethyl-3,4-methylene-dioxyanilinehydrochloride
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)aniline
5,8-DIMETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
Phosphonic acid, (1-aminoethyl)-, diethyl ester, hydrochloride, (R)- (9CI)
1-(4-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
Pyrrolidine, 1-(2,2,3,3,3-pentafluoro-1-oxopropyl)- (9CI)
1-(3-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione
4-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo-, ethyl ester
2-AMINO-2-(4-METHOXYPHENYL)ACETIC ACID HYDROCHLORIDE
5-(3-aminophenyl)furan-2-carboxylic acid methyl ester
3,5-Pyridinedicarbonitrile,2-amino-6-chloro-4-(cyanomethyl)-
3-Hydroxy-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE)
(2-CHLORO-PHENYL)-CYCLOPROPYLMETHYL-AMINE HYDROCHLORIDE
Spiro[cyclohexane-1,3(1H)-furo[3,4-c]pyridine]-1,4-dione
2-(Methylthio)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Hydrochloride
Cyclopropyl-(2,6-dichloro-pyrimidin-4-ylmethyl)-amine
N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride
5-(2-AMINO-PHENYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER
4-HYDROXY-2-(PYRIDIN-2-YL)PYRIMIDINE-5-CARBOXYLIC ACID
1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid(SALTDATA: FREE)
2,2,2-TRIFLUORO-N-[(R)-ALPHA-METHYLBENZYL]ACETAMIDE
3-(Cyanomethyl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
3-METHYL-5-PHENYL-ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
GLYCINAMIDE,L-LEUCYL-L-ARGINYL-L-PROLYL-, DIHYDROCHLORIDE (9CI)
1-(3-fluoro-4-Methoxyphenyl)cyclopropanamine hydrochloride
Cyclopropyl-(2,4-dichloro-pyrimidin-5-ylmethyl)-amine
2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
(R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride
methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
3,3-BIS(METHYLTHIO)-2-CYANOACRYLIC ACID ETHYL ESTER
4-oxo-2-pyridin-4-yl-3,4-dihydro-pyrimidine-5-carboxylic acid
(S)-2-Amino-3-(2-hydroxyphenyl)propanoic acid hydrochloride
(R)-2-amino-2-(2-methoxyphenyl)acetic acid hydrochloride
2-Fluoro-5-Methyl-4-(trifluoroMethyl)phenylacetonitrile, 97\\%
(2Z)-3-(5-Amino-1H-1,2,4-triazol-3-yl)acrylic acid nitrate
2,2,2-TRIFLUORO-N-[(S)-ALPHA-METHYLBENZYL]ACETAMIDE
2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine,hydrochloride
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-, METHYL ESTER
3-AMINO-3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID
1-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHYL)HYDRAZINE
3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)aniline
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
4-ethoxymethylene-2-phenyl-2-oxazolin-5-one
D007155 - Immunologic Factors
(S)-(-)-5-Fluorowillardiine
Methyl-phosphonic acid mono-(4-nitro-phenyl) ester
2,7-Dihydroxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group; major species at pH 7.3.
N-3-(R,R)-epoxysuccinamoyl-(S)-2,3-diaminopropanoate
(2S)-3-azaniumyl-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoate
N-(S,S)-3-epoxysuccinamoyl-(S)-2,3-diaminopropanoate
(2S)-3-amino-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
(S)-2-Amino-3-[[(2R,3R)-3-carbamoyloxirane-2-yl]carbonylamino]propionic acid
(2S)-2-amino-3-[[(2S,3S)-3-carbamoyloxirane-2-carbonyl]amino]propanoic acid
Potassium cyclamate
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
Nostocarboline
A member of the class of beta-carbolines that is 9H-beta-carbolin-2-ium substituted by a chloro group at position 6 and a methyl group at position 2. It is isolated from a fresh water cyanobacterium Nostoc 78-12A and acts as an inhibitor of butyrylcholinesterase.
(1E,3E)-6-hydroxy-5,6-dioxo-1-phenylhexa-1,3-dien-1-olate
8-methyl-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one
3-[[[(2R,3R)-3-carboxyoxiran-2-yl]carbonyl]amino]-L-alanine
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine
A dicarboxylic acid diamide consisting of 3-aminoalanine in which the alpha-amino fuunction is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
3-(2-Hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate
4-amino-2-methyl-5-phosphonatooxymethylpyrimidine(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-amino-2-methyl-5-phosphooxymethylpyrimidine; major species at pH 7.3.
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
Tyramine sulfate
An aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.
tyramine sulfate zwitterion
A zwitterion obtained by transfer of a proton from the sulfate to the amino group of tyramine sulfate; major species at pH 7.3.
3-hydroxy-1,4-dioxonaphthalene-2-carboximidic acid
2-amino-3-[(2-diazo-3-hydroxybutanoyl)oxy]propanoic acid
4-ethoxycarbonyl-2-quinolinone
{"Ingredient_id": "HBIN010377","Ingredient_name": "4-ethoxycarbonyl-2-quinolinone","Alias": "NA","Ingredient_formula": "C12H11NO3","Ingredient_Smile": "CCOC(=O)C1=CC(=O)NC2=CC=CC=C21","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15322","TCMID_id": "7397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
