Exact Mass: 201.0572
Exact Mass Matches: 201.0572
Found 500 metabolites which its exact mass value is equals to given mass value 201.0572,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Simazine
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8021 CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8027; ORIGINAL_PRECURSOR_SCAN_NO 8026 CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7974; ORIGINAL_PRECURSOR_SCAN_NO 7973 CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8043; ORIGINAL_PRECURSOR_SCAN_NO 8040 CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7976; ORIGINAL_PRECURSOR_SCAN_NO 7974 CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8014; ORIGINAL_PRECURSOR_SCAN_NO 8012 This spectrum was originally uploaded as desethylterbutylazine and corrected to simazine upon expert review; CONFIDENCE standard compound; INTERNAL_ID 4041 CONFIDENCE standard compound; EAWAG_UCHEM_ID 262 CONFIDENCE standard compound; INTERNAL_ID 4041 CONFIDENCE standard compound; INTERNAL_ID 8419 CONFIDENCE standard compound; INTERNAL_ID 3141 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Thiabendazole
Thiabendazole is active against a variety of nematodes and is the drug of choice for strongyloidiasis. It has CNS side effects and hepatototoxic potential. (From Smith and Reynard, Textbook of Pharmacology, 1992, p919)The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase. Thiabendazole is also used as a postharvest treatment for bananas, plantains and oranges. Registered in Canada for control of silver scurf in stored potatoes Thiabendazole is a fungicide and parasiticide. Thiabendazole is also a chelating agent, which means that it is used medicinally to bind metals in cases of metal poisoning, such as lead poisoning, mercury poisoning or antimony poisoning. Thiabendazole is vermicidal and/or vermifugal against Ascaris lumbricoides ("common roundworm"), Strongyloides stercoralis (threadworm), Necator americanus, Ancylostoma duodenale (hookworm), Trichuris trichiura (whipworm), Ancylostoma braziliense (dog and cat hookworm), Toxocara canis, Toxocara cati (ascarids), and Enterobius vermicularis (pinworm). Thiabendazole also suppresses egg and/or larval production and may inhibit the subsequent development of those eggs or larvae which are passed in the feces CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5826; ORIGINAL_PRECURSOR_SCAN_NO 5824 CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5833; ORIGINAL_PRECURSOR_SCAN_NO 5831 CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5856; ORIGINAL_PRECURSOR_SCAN_NO 5854 CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5860; ORIGINAL_PRECURSOR_SCAN_NO 5859 CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5848; ORIGINAL_PRECURSOR_SCAN_NO 5844 CONFIDENCE standard compound; INTERNAL_ID 1201; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5840; ORIGINAL_PRECURSOR_SCAN_NO 5838 Anthelmintic, pre- and postharvest fungicide, also freq. for vet. use. It is used as a postharvest treatment for bananas, plantains and oranges. Registered in Canada for control of silver scurf in stored potatoes D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 8788 INTERNAL_ID 2860; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4015 CONFIDENCE standard compound; INTERNAL_ID 1066 CONFIDENCE standard compound; INTERNAL_ID 2860 KEIO_ID T028 Thiabendazole is an orally available benzimidazole fungicide with repellent and anticancer activities. Thiabendazole can result in developmental malformations. Thiabendazole can be used for modeling[1][2][3][4][5].
Carbaryl
CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8021 CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7976; ORIGINAL_PRECURSOR_SCAN_NO 7974 CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8014; ORIGINAL_PRECURSOR_SCAN_NO 8012 CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8027; ORIGINAL_PRECURSOR_SCAN_NO 8026 CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7974; ORIGINAL_PRECURSOR_SCAN_NO 7973 CONFIDENCE standard compound; INTERNAL_ID 1032; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8266; ORIGINAL_PRECURSOR_SCAN_NO 8263 D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C254 - Anti-Infective Agent > C276 - Antiparasitic Agent CONFIDENCE standard compound; INTERNAL_ID 2624 CONFIDENCE standard compound; INTERNAL_ID 8486 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acid
Cyclamate
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
Misonidazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Desethylterbuthylazine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 671
(+)-Leptosphaerin|2-acetamino-2,3-dideoxy-D-erythro-hex-2-enono-1,4-lactone|Leptosphaerin
1-methyl-5-thiol-L-histidine|5-Mercapto-1-methylhistidine
CARBARYL
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C254 - Anti-Infective Agent > C276 - Antiparasitic Agent D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3038 EAWAG_UCHEM_ID 3038; CONFIDENCE standard compound
thiabendazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3180 Thiabendazole is an orally available benzimidazole fungicide with repellent and anticancer activities. Thiabendazole can result in developmental malformations. Thiabendazole can be used for modeling[1][2][3][4][5].
Desethylterbutylazine
CONFIDENCE standard compound; INTERNAL_ID 2538 CONFIDENCE standard compound; INTERNAL_ID 8419
Merfect
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Thiabendazole is an orally available benzimidazole fungicide with repellent and anticancer activities. Thiabendazole can result in developmental malformations. Thiabendazole can be used for modeling[1][2][3][4][5].
(NE)-N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydrocyclopenta[b]indole-2-carboxylic acid
(4-(DIMETHYLAMINO)PHENYL)BORONIC ACID HYDROCHLORIDE
7-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE HYDROCHLORIDE
(S)-Cyclopropyl(2-fluorophenyl)methanamine hydrochloride
2-chloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)-acetamide
2-AMINO-N-(PYRIDIN-4-YL)ETHANESULFONAMIDEHYDROCHLORIDE
5-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
6-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(methylthio)-,hydrazide(9CI)
1-(2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYL)-PIPERAZINE
4-carboxy-2,2,5,5-tetramethyl-3-imidazoline-3-oxide-1-oxyl, free radical
2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM DIHYDROGENPHOSPHATE
1-(2-Cyano-phenyl)-cyclopropanecarboxylic acid Methyl ester
6-(1-chloroethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
[1-(2-cyanoethylsulfanyl)ethylideneamino] N-methylcarbamate
2,3-dihydro-1,4-benzodioxin-5-ylmethylamine hydrochloride
2-(3-methoxy-phenyl)-2-oxo-ethyl-ammonium, chloride
5-Pyrimidinecarboxylic acid, 2-(4-pyridinyl)- (9CI)
7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
6-(azidomethyl)-2,3-dihydrobenzo[b][1,4]dioxine hydrochloride
ethyl 4-chloro-3,5-dimethyl-1H-pyrrole-2-carboxylate
(S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride
1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxylic acid
(8-BETA)-9,10-DIDEHYDRO-6-METHYL-ERGOLINE-8-CARBONYLAZIDE
(s)-6-fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl-amine hcl
3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-(4-methylphenyl)-
1H-Imidazole-4-carboxylicacid,2-ethoxy-5-nitro-(9CI)
methyl 6-cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
1-(2-(Trifluoromethyl)phenyl)cyclopropanamine hydrochloride
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-one acetate
DIMETHYL1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE
2-Propenoic acid, 3-(1H-indol-7-yl)-, Methyl ester
N-[(4-fluorophenyl)methyl]cyclopropanamine,hydrochloride
4-Methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride
3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
(R)-Cyclopropyl(2-fluorophenyl)methanamine hydrochloride
7-HYDROXY-4-METHYL-2-OXO-2H-CHROMENE-3-CARBONITRILE
Thiazole, 2-[(1,2-epoxypropyl)thio]-4,5-dimethyl-, trans- (8CI)
8-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
3-(2-Methyl-5-Nitroimidazole-1-Yl)-1,2-Propanediol
5-METHOXY-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE HYDROCHLORIDE
(Z)-2-Methyl-4-(4-methylbenzylidene)oxazol-5(4H)-one
2,2-Dimethylbenzo[d][1,3]dioxol-5-amine hydrochloride
1-(3,4-DIMETHOXYPHENETHYL)-5-OXO-3-PYRROLIDINECARBOXYLICACID
5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid
3-(Cyanomethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
methyl 6-cyano-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
3,4-Dihydro-1H-isothiochromen-4-amine hydrochloride
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
ethyl 5-amino-3-methylthio-1H pyrazole-4-carboxylate
6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Pyridinium,1-(2-ethoxy-2-oxoethyl)-, chloride (1:1)
3,5-Dimethyl-1H-pyrazole-1-carboximidamide nitrate
(S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione
ethyl 5-chloro-3-methyl-1,2,4-triazine-6-carboxylate
1-( 2,3-dihydroxypropyl ) -2-Methyl-5-nitroiMidazole
(S)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-ium chloride
[(5-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID
ETHYL 2-(METHYLAMINO)-4-OXO-4,5-DIHYDRO-3-THIOPHENECARBOXYLATE
2-chloro-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
1H,3H-Oxazolo[3,4-a]indol-1-one,3,3-dimethyl-(9CI)
METHYL 1-BENZYL-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-5-CARBOXYLATE
1H-Imidazole-4-carboxylicacid,5-amino-2-(methylthio)-,ethylester(9CI)
2-Hydrazino-4-methyl-thiazole-5-carboxylic acid ethyl ester
(3-(DIMETHYLAMINO)PHENYL)BORONIC ACID HYDROCHLORIDE
2-Amino[1,3,5]triazino[1,2-a]benzimidazol-4(10H)-one
Ovothiol A
A L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
1-Methyl-3-(2-oxopropylidene)indolin-2-one
D020011 - Protective Agents > D016587 - Antimutagenic Agents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D000970 - Antineoplastic Agents
Penicillanic acid
A penam that consits of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Misonidazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
2-Imino-3-(indol-3-yl)propanoate
A monocarboxylic acid anion that is the conjugate base of 2-imino-3-(indol-3-yl)propanoic acid, obtained by deprotonation of the carboxy group.
3-Hydroxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 3 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.
N(3)-fumaroyl-(S)-2,3-diaminopropanoate
An alpha-amino-acid anion that is the conjugate base of N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3.
(2S)-2-azaniumyl-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoate
2-Hydroxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.
(2E,4E)-2-hydroxy-5-nitro-6-oxohepta-2,4-dienoic acid
(2-Imino-3-methyl-5-oxoimidazolidin-4-yl) 2-hydroxypropanoate
alpha,beta-Didehydrotryptophanate(1-)
Conjugate base of alpha,beta-didehydrotryptophan.
Sodium cyclamate
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid
An L-alanine derivative obtained by formal condensation of the carboxy group of fumaric acid monoamide with the side-chain amino group of 3-amino-L-alanine.
N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid zwitterion
An L-alpha-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the alpha-amino group of N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3.
N-acetyl-L-2-aminoadipate(2-)
An N-acyl-L-alpha-amino acid anion arising from deprotonation of both carboxy groups of N-acetyl-L-2-aminoadipic acid; major species at pH 7.3.
Terbutylazine-desethyl
A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a tert-butyl group at the amino nitrogen and a chloro group at position 6. It is metabolite of the herbicide terbutylazine.
ovothiol A zwitterion
An L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
L-AP4 (monohydrate)
L-AP4 (L-APB) monohydrate is a potent and specific agonist for the group III mGluRs, with EC50s of 0.13, 0.29, 1.0, 249 μM for mGlu4, mGlu8, mGlu6 and mGlu7 receptors, respectively[1][2].
