Exact Mass: 211.1083

Mebenil

2-METHYL-N-PHENYLBENZAMIDE

3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole

1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine, 9ci

3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole is a powerful mutacarcinogen found in cooked food D009676 - Noxae > D009153 - Mutagens

Pramipexole

6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine dihydrochloride monohydrate

Pramipexole is a medication indicated for treating Parkinsons disease and restless legs syndrome (RLS). It is also sometimes used off-label as a treatment for cluster headache or to counteract the problems with low libido experienced by some users of SSRI antidepressant drugs. Pramipexole has shown robust effects on pilot studies in bipolar disorder. Pramipexole is classified as a non-ergoline dopamine agonist. D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D020011 - Protective Agents > D000975 - Antioxidants Pramipexole is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].

Varenicline

(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0²,¹¹.0⁴,⁹]hexadeca-2,4,6,8,10-pentaene

Varenicline is a prescription medication used to treat smoking addiction. This medication is the first approved nicotinic receptor partial agonist. Specifically, varenicline is a partial agonist of the alpha4/beta2 subtype of the nicotinic acetylcholine receptor. In addition it acts on alpha3/beta4 and weakly on alpha3beta2 and alpha6-containing receptors. A full agonism was displayed on alpha7-receptors. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists S - Sensory organs > S01 - Ophthalmologicals D000077444 - Smoking Cessation Agents Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].

2-Methoxy-3-methyl-9H-carbazole

2-methoxy-3-methyl-9H-carbazole

2-Methoxy-3-methyl-9H-carbazole is found in herbs and spices. 2-Methoxy-3-methyl-9H-carbazole is an alkaloid from the seeds of Murraya koenigii (curryleaf tree). Alkaloid from the seeds of Murraya koenigii (curryleaf tree). 2-Methoxy-3-methyl-9H-carbazole is found in herbs and spices.

2-(3,4-Dimethoxyphenyl)-3-fluoroallylamine

2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine

C11H14FNO2 (211.1009)

Dexpramipexole

6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine dihydrochloride monohydrate

4-(2-Naphthyloxy)-2-butyne-1-amine

4-(naphthalen-2-yloxy)but-2-yn-1-amine

murrayafoline A

1-Methoxy-3-methyl-9H-carbazole

http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 17

3-phenyl-3-(pyridin-2-yl)propanal

1,3-Diphenylguanidine

CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2907; ORIGINAL_PRECURSOR_SCAN_NO 2905 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2905; ORIGINAL_PRECURSOR_SCAN_NO 2903 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2885; ORIGINAL_PRECURSOR_SCAN_NO 2881 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; 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 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2951; ORIGINAL_PRECURSOR_SCAN_NO 2949 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2908; ORIGINAL_PRECURSOR_SCAN_NO 2904 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6081; ORIGINAL_PRECURSOR_SCAN_NO 6079 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6105; ORIGINAL_PRECURSOR_SCAN_NO 6104 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6127; ORIGINAL_PRECURSOR_SCAN_NO 6125 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6137; ORIGINAL_PRECURSOR_SCAN_NO 6136 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6136; ORIGINAL_PRECURSOR_SCAN_NO 6134 CONFIDENCE standard compound; INTERNAL_ID 845; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6135; ORIGINAL_PRECURSOR_SCAN_NO 6134 CONFIDENCE standard compound; INTERNAL_ID 2487 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1007

2-benzylbenzamide

Glycozoline

C14H13NO

Viocidic acid

C8H13N5O2 (211.1069)

2-Amino-3-ethyl-9H-pyrido(2,3-b)indole

N,2-Diphenylacetamide

4-Methylbenzanilide

5-methoxy-3-methyl-9H-carbazole

Varenicline

(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene

N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists S - Sensory organs > S01 - Ophthalmologicals D000077444 - Smoking Cessation Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3636 Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].

1-methoxy-3-methyl-9H-carbazole

NCGC00385438-01!1-methoxy-3-methyl-9H-carbazole

NPE_212.1070_9.8

CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1109

Pramipexole

(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D020011 - Protective Agents > D000975 - Antioxidants Pramipexole is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].

2-Hydroxyiminodibenzyl

2-Methoxy-3-methylcarbazole

2-methoxy-3-methyl-9H-carbazole

4-(azepan-1-ylmethyl)-1,3-thiazol-2-amine

2-amino-4-methylbenzophenone

2-AMINO-4-METHYLBENZOPHENONE

3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-one

tert-butyl 4-amino-2-fluorobenzoate

C11H14FNO2 (211.1009)

4-FLUOROANILINE, N-BOC PROTECTED

C11H14FNO2 (211.1009)

3-METHYLBENZANILIDE

(4-AMINO-FURAZAN-3-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE

C8H13N5O2 (211.1069)

1-(3-Isopropylphenyl)cyclopropanamine hydrochloride (1:1)

(R)-Cyclopropyl(2,4-dimethylphenyl)Methanamine hydrochloride

1-phenylcyclohexan-1-amine,hydrochloride

3-(DIFLUOROMETHYLENE)-1,1,2,2-TETRAFLUOROCYCLOPROPANE

C11H17NOS (211.1031)

3-[4-(3-Pyridinyl)phenyl]propanal

(R)-cyclopentyl(phenyl)methanamine,hydrochloride

Mefenorex

A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

4-(2,4-Difluorobenzyl)piperidine

C12H15F2N (211.1172)

Dexpramipexole