Chemical Formula: C12H17NO2

Chemical Formula C12H17NO2

Found 190 metabolite its formula value is C12H17NO2

3-(Dimethylamino)propyl benzoate

C12H17NO2 (207.12592220000002)

Fenobucarb

2-(1-Methylpropyl)phenyl methylcarbamic acid

C12H17NO2 (207.12592220000002)

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9206; ORIGINAL_PRECURSOR_SCAN_NO 9204 CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9206; ORIGINAL_PRECURSOR_SCAN_NO 9205 CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9113; ORIGINAL_PRECURSOR_SCAN_NO 9111 CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9216; ORIGINAL_PRECURSOR_SCAN_NO 9213 CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9155; ORIGINAL_PRECURSOR_SCAN_NO 9153 CONFIDENCE standard compound; INTERNAL_ID 592; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9175; ORIGINAL_PRECURSOR_SCAN_NO 9173

O-Methylcorypalline

1,2,3,4-tetrahydro-6,7-Dimethoxy-2-methyl-isoquinoline

C12H17NO2 (207.12592220000002)

O-Methylcorypalline is found in coffee and coffee products. O-Methylcorypalline is an alkaloid from Nelumbo nucifera (East Indian lotus Alkaloid from Nelumbo nucifera (East Indian lotus). O-Methylcorypalline is found in tea, coffee and coffee products, and sacred lotus.

Ciclopirox

6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone ethanolamine salt

C12H17NO2 (207.12592220000002)

Ciclopirox is only found in individuals that have used or taken this drug. It is a synthetic antifungal agent for topical dermatologic use. [Wikipedia] Unlike antifungals such as itraconazole and terbinafine, which affect sterol synthesis, ciclopirox is thought to act through the chelation of polyvalent metal cations, such as Fe³⁺ and Al³⁺. These cations inhibit many enzymes, including cytochromes, thus disrupting cellular activities such as mitochondrial electron transport processes and energy production. Ciclopirox also appears to modify the plasma membrane of fungi, resulting in the disorganization of internal structures. The anti-inflammatory action of ciclopirox is most likely due to inhibition of 5-lipoxygenase and cyclooxygenase. Ciclopirox may exert its effect by disrupting DNA repair, cell division signals and structures (mitotic spindles) as well as some elements of intracellular transport. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

Isobutyl N-methylanthranilate

Benzoic acid, 2-(methylamino)-, 2-methylpropyl ester

C12H17NO2 (207.12592220000002)

Isobutyl N-methylanthranilate is a possible flavour ingredient; reported in food additive surveys. Possible flavour ingredient; reported in food additive surveys

Synephrine acetonide

4-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)phenol

C12H17NO2 (207.12592220000002)

Synephrine acetonide is found in fruits. Synephrine acetonide is an alkaloid from the seeds of Casimiroa edulis (Mexican apple). Alkaloid from the seeds of Casimiroa edulis (Mexican apple). Synephrine acetonide is found in fruits.

1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone

1-(6,7-dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)-2-hydroxypropan-1-one

C12H17NO2 (207.12592220000002)

Proline-derived Maillard product. Proline-derived Maillard product

Phenyl-Leucine

(2S)-4-methyl-2-(phenylamino)pentanoic acid

C12H17NO2 (207.12592220000002)

Phenyl-Leucine, also known as L-leucine, N-phenyl- is classified as a leucine or a leucine derivative. Leucines are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Phenyl-Leucine is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer)

Phenylalanine betaine

(2S)-3-phenyl-2-(trimethylazaniumyl)propanoate

C12H17NO2 (207.12592220000002)

1-(3,4-Methylenedioxyphenyl)-2-aminopentane

C12H17NO2 (207.12592220000002)

3-(Benzylamino)-3-methylbutanoic Acid

C12H17NO2 (207.12592220000002)

N,N-Dimethyl-3,4-methylenedioxyamphetamine

[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]dimethylamine

C12H17NO2 (207.12592220000002)

6,7-Dihydroxy-2-dimethylaminotetralin

2,3-Naphthalenediol,6-(dimethylamino)-5,6,7,8-tetrahydro-(9CI)

C12H17NO2 (207.12592220000002)

N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine

N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine, (R)-isomer

C12H17NO2 (207.12592220000002)

3,4-Methylenedioxy-N-ethylamphetamine

1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride (1:1)

C12H17NO2 (207.12592220000002)

D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators

salsolidine

6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

C12H17NO2 (207.12592220000002)

D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.156 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.138 Salsolidine is a tetrahydroisoquinoline alkaloid, acts as a stereoselective competitive MAO A inhibitor.

MBDB

1,3-Benzodioxolyl-N-methylbutanamine

C12H17NO2 (207.12592220000002)

Phenylalanine betaine

C12H17NO2 (207.12592220000002)

MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; XTFQIRIHLGODFV-NSHDSACASA-N_STSL_0037_Phenylalanine betaine_0125fmol_180407_S2_LC02_MS02_88; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

SCHEMBL715095

C12H17NO2 (207.12592220000002)

N,N-diethyl-4-methoxybenzamide

C12H17NO2 (207.12592220000002)

[Raw Data] CB153_N; N-Diethyl-4-methoxybenzamide_pos_50eV_CB000058.txt [Raw Data] CB153_N; N-Diethyl-4-methoxybenzamide_pos_40eV_CB000058.txt [Raw Data] CB153_N; N-Diethyl-4-methoxybenzamide_pos_30eV_CB000058.txt [Raw Data] CB153_N; N-Diethyl-4-methoxybenzamide_pos_20eV_CB000058.txt N-Diethyl-4-methoxybenzamide_pos_10eV_CB000058.txt; [Raw Data] CB153_N [Raw Data] CB153_N; N-Diethyl-4-methoxybenzamide_pos_10eV_CB000058.txt

N,N-diethyl-3-methoxybenzamide

C12H17NO2 (207.12592220000002)

[Raw Data] CB155_N; N-Diethyl-3-methoxybenzamide_pos_50eV_CB000060.txt [Raw Data] CB155_N; N-Diethyl-3-methoxybenzamide_pos_40eV_CB000060.txt [Raw Data] CB155_N; N-Diethyl-3-methoxybenzamide_pos_30eV_CB000060.txt [Raw Data] CB155_N; N-Diethyl-3-methoxybenzamide_pos_20eV_CB000060.txt [Raw Data] CB155_N; N-Diethyl-3-methoxybenzamide_pos_10eV_CB000060.txt

N,N-diethyl-2-methoxybenzamide

Benzamide,N,N-diethyl-2-methoxy-

C12H17NO2 (207.12592220000002)

[Raw Data] CB171_N; N-Diethyl-2-methoxybenzamide_pos_50eV_CB000065.txt [Raw Data] CB171_N; N-Diethyl-2-methoxybenzamide_pos_40eV_CB000065.txt [Raw Data] CB171_N; N-Diethyl-2-methoxybenzamide_pos_30eV_CB000065.txt [Raw Data] CB171_N; N-Diethyl-2-methoxybenzamide_pos_20eV_CB000065.txt [Raw Data] CB171_N; N-Diethyl-2-methoxybenzamide_pos_10eV_CB000065.txt

N-[1-(2,6-dimethylphenoxy)propan-2-yl]formamide

C12H17NO2 (207.12592220000002)

4-dimethoxymethyl-7-methyl-6,7-dihydro-5H-[2]pyrindine|Boschniakin-dimethylacetal

C12H17NO2 (207.12592220000002)

N-Methylisosalsoline

C12H17NO2 (207.12592220000002)

(5S)-2,10-dimethyl-(4ac,9ac)-5,6,7,8,9,9a-hexahydro-4aH-5r,8c-epiazano-cyclohepta[b]pyran-4-one|5,11-Dihydroisobellendine

C12H17NO2 (207.12592220000002)

(5S)-3xi,10-dimethyl-2,3,6,7,8,9-hexahydro-5H-5r,8c-epiazano-cyclohepta[b]pyran-4-one|2,3-Dihydrobellendine|2,3-Epidihydrobellendine

C12H17NO2 (207.12592220000002)

6-N orcarnegine

C12H17NO2 (207.12592220000002)

1,1-dimethyl-6-methoxy-7-hydroxyl-1,2,3,4-tetrahydroisoquinoline|6-methoxy-1,1-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-ol

C12H17NO2 (207.12592220000002)

Methyl N-(2,6-dimethylphenyl)-DL-alaninate

C12H17NO2 (207.12592220000002)

N-Methyl-N-(2,6-dimethylphenyl)-2-methoxyacetamide

C12H17NO2 (207.12592220000002)

Isopeganidin

C12H17NO2 (207.12592220000002)

Salsolidin

Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (1S)-

C12H17NO2 (207.12592220000002)

Salsolidine is a natural product found in Ototropis elegans, Phyllodium elegans, and Alhagi maurorum with data available.

3,4-Methylenedioxy-N-ethylamphetamine (MDEA)

C12H17NO2 (207.12592220000002)

CONFIDENCE standard compound; INTERNAL_ID 1713

AURORA KA-7747

3,4-Methylenedioxy-N-ethylamphetamine (MDEA)

C12H17NO2 (207.12592220000002)

MEX_208.1332_16.9

C12H17NO2 (207.12592220000002)

CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 907

Fenobucarb

Pesticide3_Fenobucarb_C12H17NO2_Bassa

C12H17NO2 (207.12592220000002)

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

3,4-Methylenedioxyethamphetamine

C12H17NO2 (207.12592220000002)

3,4-Methylenedioxyethylamphetamine

C12H17NO2 (207.12592220000002)

CICLOPIROX

C12H17NO2 (207.12592220000002)

G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent