Exact Mass: 240.13215320000003

Exact Mass Matches: 240.13215320000003

Found 500 metabolites which its exact mass value is equals to given mass value 240.13215320000003, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Anserine

(2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid

C10H16N4O3 (240.12223459999998)


Anserine (beta-alanyl-N-3-methylhistidine) is a dipeptide containing beta-alanine and 3-methylhistidine. It is a derivative of carnosine, which had been methylated. The methyl group of anserine is added to carnosine by the enzyme S-adenosylmethionine: carnosine N-methyltransferase (PMID: 29484990). The enzyme is closely related to histamine N-methyltransferase and appears to be present in a majority of anserine-producing species (PMID: 23705015). Anserine is a generally a more metabolically stable derivative of carnosine. Anserine can be found in the skeletal muscle and brain of certain mammals (rabbits, cattle), migratory fish and birds. This dipeptide is normally absent from human tissues and body fluids, and its appearance there is usually an artifact of diet. Anserine can also arise from serum carnosinase deficiency. (OMIM 212200). Anserine was first discovered in goose muscle in 1929, and was named after this extraction (anser is Latin for goose). Anserine, which is water-soluble, is found at high levels in the muscles of different non-human vertebrates, with poultry, rabbit, tuna, plaice, and salmon having generally higher contents than other marine foods, beef, or pork (PMID: 31908682). An increase of urinary anserine excretion has been found in humans after the consumption of chicken, rabbit, and tuna and has been associated with intake of chicken, salmon, and, to a lesser extent, beef (PMID: 31908682). Anserine can undergo cleavage to give rise to 3-methylhistidine.(3-MH). The dipeptide balenine, common in some whales, cleaves to form 1-methylhistidine (1-MH) (PMID: 31908682). There is considerable confusion with regard to the nomenclature of the methylated nitrogen atoms on the imidazole ring of histidine and other histidine-containing peptides such as anserine. In particular, older literature (mostly prior to the year 2000) designated anserine (N-pi methylated) as beta-alanyl-N1-methyl-histidine, whereas according to standard IUPAC nomenclature, anserine is correctly named as beta-alanyl-N3-methyl-histidine. As a result, many papers published prior to the year 2000 incorrectly identified 1MH as a specific marker for dietary consumption of certain foods or various pathophysiological effects when they really were referring to 3MH or vice versa (PMID: 24137022). In particular balenine (a whale or snake-specific dipeptide with 1MH) was often confused with anserine (the poultry dipeptide with 3MH). An animal model study of Alzheimers disease using mice found that treatment with anserine reduced memory loss (PMID: 28974740). Anserine reduced glial inflammatory activity (particularly of astrocyte). The study also found that anserine-treated mice had greater pericyte surface area. The greater area of pericytes was commensurate with improved memory. The anserine-treated mice overall performed better on a spatial memory test (Morris Water Maze) (PMID: 28974740). A human study on 84 elderly subjects showed that subjects who took anserine and carnosine supplements for one year showed increased blood flow in the prefrontal cortex on MRI (PMID: 29896423). Acquisition and generation of the data is financially supported in part by CREST/JST. C26170 - Protective Agent > C275 - Antioxidant KEIO_ID A140; [MS2] KO008819 KEIO_ID A140; [MS3] KO008820 KEIO_ID A140 Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2]. Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2].

   

Pirbuterol

2-Hydroxymethyl-3-hydroxy-6-(1-hydroxy-2-tert-butylamino ethyl)pyridine, dihydrochloride

C12H20N2O3 (240.147385)


Pirbuterol is a beta-2 adrenergic bronchodilator. In vitro studies and in vivo pharmacologic studies have demonstrated that pirbuterol has a preferential effect on beta-2 Adrenergic receptors compared with isoproterenol. While it is recognized that beta-2 adrenergic receptors are the predominant receptors in bronchial smooth muscle, data indicate that there is a population of beta-2 receptors in the human heart, existing in a concentration between 10-50\\%. The precise function of these receptors has not been established. The pharmacologic effects of beta adrenergic agonist drugs, including pirbuterol, are at least in proof attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (AlP) to cyclic-3† ,5†-adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

   

Homocarnosine

(2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid

C10H16N4O3 (240.12223459999998)


Homocarnosine is a normal human metabolite, the brain-specific dipeptide of gamma-aminobutyric acid (GABA) and histidine. (PMID 1266573). Increased concentration of CSF homocarnosine has been found in familial spastic paraplegia. (PMID 842287). Homocarnosinosis (an inherited disorder, OMIM 236130) is characterized by an elevated level of the dipeptide homocarnosine (Hca) in the Cerebrospinal fluid (CSF) and the brain and by carnosinuria and serum carnosinase deficiency, and can co-exist with paraplegia, retinitis pigmentosa, and a progressive mental deficiency. (PMID 3736769). In glial tumors of human brain the content of homocarnosine has been found to be lower than in brain tissue (PMID 1032224), while an increase in content of homocarnosine was observed in brain tissue of animals under experimental trauma of cranium. (PMID 1025883). Homocarnosine is a normal human metabolite, the brain-specific dipeptide of gamma-aminobutyric acid (GABA) and histidine. (PMID 1266573) Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H013; [MS3] KO008992 KEIO_ID H013; [MS2] KO008991 KEIO_ID H013

   
   

SCHEMBL18381216

N(alpha)-gamma-L-Glutamylhistamine

C10H16N4O3 (240.12223459999998)


   

Dehydrofalcarinone

(Z)-heptadeca-1,9,16-trien-4,6-diyn-3-one

C17H20O (240.151407)


   
   

Lapachenole

6-methoxy-2,2-dimethyl-2H-benzo[h]chromene

C16H16O2 (240.1150236)


Lapachenole is a member of the class of compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Lapachenole is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lapachenole can be found in mexican oregano, which makes lapachenole a potential biomarker for the consumption of this food product.

   

Ameltolide

4-Amino-N-(2,6-dimethylphenyl)benzamide

C15H16N2O (240.12625659999998)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892

   
   

Dimethylstilbestrol

(E)-4,4-(1,2-Dimethyl-1,2-ethenediyl)bisphenol

C16H16O2 (240.1150236)


   

2,5-dimethoxystilbene

1,4-dimethoxy-2-(2-phenylethenyl)benzene

C16H16O2 (240.1150236)


   
   

Kayametone

4-Methoxy-3,3-dimethylbenzophenone

C16H16O2 (240.1150236)


   

N-Hydroxy phip

N-{1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl}hydroxylamine

C13H12N4O (240.10110619999998)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

Festuclavine

7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C16H20N2 (240.16264)


An alkaloid that is the 6,8beta-dimethyl derivative of ergoline.

   

Ethyl 3,4,5-trimethoxybenzoate

3,4,5-Trimethoxybenzoic Acid Ethyl Ester

C12H16O5 (240.0997686)


Ethyl 3,4,5-trimethoxybenzoate is isolated from cashew gum. Ethyl 3,4,5-trimethoxybenzoate is a trihydroxybenzoic acid. Isolated from cashew gum Ethyl 3,4,5-trimethoxybenzoate is a natural compound isolated from the roots of Rauvolfia yunnanensis Tsiang[1].

   

Pheniramine

dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine

C16H20N2 (240.16264)


Pheniramine is only found in individuals that have used or taken this drug. It is one of the histamine H1 antagonists with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. [PubChem]Antihistamines such as pheniramine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. Antihistamines suppress the histamine-induced wheal (swelling) and flare (vasodilation) response by blocking the binding of histamine to its receptors on nerves, vascular smooth muscle, glandular cells, endothelium, and mast cells. They effectively exert competitive antagonism of histamine for H1-receptors. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents

   

3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)

2-(2-Carboxyethyl)-4-methyl-4-propylfuran-3-carboxylic acid

C12H16O5 (240.0997686)


3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid (CMPF) is also called 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid and 2-(2-carboxyethyl)-4-methyl-4-propylfuran-3-carboxylic acid. CMPF is significantly accumulated in the serum of chronic kidney disease patients and is considered to be a potent uremic toxin (PMID: 8734460) and identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). There are several minor derivatives of CMPF that have been detected in serum and urine including 3-carboxy-4-methyl-5-pentyl-2-furanpropionic acid, 3-carboxy-4-methyl-5-ethyl-2-furanpropionic acid, and 3-carboxy-5-propyl-2-furanpropionic acid. CMPF was first detected in human urine in 1979 (PMID: 12388676) and it is believed to be formed from the consumption of fish, vegetables, and fruits (PMID: 19083276 ; PMID: 12388676). CMPF is a strong inhibitor of mitochondrial respiration and is associated with thyroid dysfunction (PMID: 19083276). CMPF also directly inhibits renal secretion of various drugs and endogenous organic acids by competitively inhibiting OAT3 transporters (PMID: 11967025). It is also thought to contribute to various neurological abnormalities because it inhibits the transport of organic acids at the blood-brain barrier (PMID: 12388676).

   

1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne

(4E,6E)-Tetradeca-4,6-dien-8,10,12-triyn-1-yl acetic acid

C16H16O2 (240.1150236)


1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is found in herbs and spices. 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is isolated from roots of Tanacetum vulgare (tansy Isolated from roots of Tanacetum vulgare (tansy). 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is found in herbs and spices.

   

L-Gizzerosine

2-amino-6-{[2-(1H-imidazol-5-yl)ethyl]amino}hexanoic acid

C11H20N4O2 (240.15861800000002)


L-Gizzerosine is isolated from mackerel meal. L-Gizzerosine is produced as a contaminant during fish meal manufacturing by reaction between histidine and protein in the fish meat. Causes gizzard erosion ("black vomit") in chicks. Isolated from mackerel meal. Production as a contaminant during fish meal manufacturing by reaction between histidine and protein in the fish meat. Causes gizzard erosion ("black vomit") in chicks

   

(E)-3,5-Dimethoxystilbene

1,3-dimethoxy-5-[(Z)-2-phenylethenyl]benzene

C16H16O2 (240.1150236)


(E)-3,5-Dimethoxystilbene is isolated from wood of Pinus palustris (pitch pine

   

3-(3,4,5-Trimethoxyphenyl)propanoic acid

beta -(3,4,5-Trimethoxy phenyl)propionic acid

C12H16O5 (240.0997686)


3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper) 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper). 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper).

   

Phenethyl phenylacetate

Benzeneacetic acid, 2-phenylethyl ester

C16H16O2 (240.1150236)


Phenethyl phenylacetate is found in linden. Phenethyl phenylacetate is an imitation fruit flavouring ingredien Imitation fruit flavouring ingredient. Phenethyl phenylacetate is found in linden.

   

Balenine

(2S)-2-[(3-Amino-1-hydroxypropylidene)amino]-3-(1-methyl-1H-imidazol-4-yl)propanoate

C10H16N4O3 (240.12223459999998)


Balenine has been identified in the muscles of several species of mammal (including man), and the chicken. [HMDB] Balenine has been identified in the muscles of several species of mammal (including man), and the chicken.

   

Obtustyrene

3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol

C16H16O2 (240.1150236)


Obtustyrene is found in common pea. Obtustyrene is a stress metabolite of pe Stress metabolite of pea. Obtustyrene is found in pulses and common pea.

   

Imiquimod

1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine

C14H16N4 (240.13748959999998)


Imiquimod is an immune response modifier that acts as a toll-like receptor 7 agonist. Imiquimod is commonly used topically to treat warts on the skin of the genital and anal areas. Imiquimod does not cure warts, and new warts may appear during treatment. Imiquimod does not fight the viruses that cause warts directly, however, it does help to relieve and control wart production. miquimod is also used to treat a skin condition of the face and scalp called actinic keratoses and certain types of skin cancer called superficial basal cell carcinoma. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent

   

Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate

Propan-2-yl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid

C12H16O5 (240.0997686)


Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol

alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol

C10H16N4O3 (240.12223459999998)


   

4-(2-Amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol

2-amino-1-Methyl-6-(4-hydroxyphenyl)imidazo(4,5-b)pyridine

C13H12N4O (240.10110619999998)


   

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-

C17H20O (240.151407)


   

3,3',5,5'-Tetramethylbenzidine

3,3,5,5-tetramethyl-[1,1-biphenyl]-4,4-diamine

C16H20N2 (240.16264)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

   

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

C15H16N2O (240.12625659999998)


   

Benzidine, tetramethyl-

2,3,5,6-tetramethyl-[1,1-biphenyl]-4,4-diamine

C16H20N2 (240.16264)


   

Budralazine

1-[2-(4-methylpent-3-en-2-ylidene)hydrazin-1-yl]phthalazine

C14H16N4 (240.13748959999998)


   

Felbinac ethyl

Ethyl 2-{[1,1-biphenyl]-4-yl}acetic acid

C16H16O2 (240.1150236)


   

Imazodan

6-[4-(1H-imidazol-1-yl)phenyl]-2,3,4,5-tetrahydropyridazin-3-one

C13H12N4O (240.10110619999998)


D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

   

4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

C16H20N2 (240.16264)


   

N,N,N',N'-TETRAMETHYLBENZIDINE

N4,N4,N4,N4-tetramethyl-[1,1-biphenyl]-4,4-diamine

C16H20N2 (240.16264)


   

N,N'-Dibenzylethylenediamine

benzyl[2-(benzylamino)ethyl]amine

C16H20N2 (240.16264)


   

Triglycerol

3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

C9H20O7 (240.120897)


   

Photoantheole

1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C16H16O2 (240.1150236)


4,4-dimethoxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4,4-dimethoxystilbene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethoxystilbene can be found in anise, which makes 4,4-dimethoxystilbene a potential biomarker for the consumption of this food product.

   
   
   
   

(-)-Cycloepoxydon

(-)-Cycloepoxydon

C12H16O5 (240.0997686)


   
   
   

(E)-3,4-Dimethoxystilbene

(E)-1-Methoxy-3-[2-(4-methoxyphenyl)ethenyl]-benzene

C16H16O2 (240.1150236)


   

Micrandrol B

2,6-Dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene

C16H16O2 (240.1150236)


   
   

(+)-7alpha,8alpha-Epoxyblumenol B

(+)-7alpha,8alpha-Epoxyblumenol B

C13H20O4 (240.136152)


   

6,7-seco-Agroclavine

6,7-seco-Agroclavine

C16H20N2 (240.16264)


   

Cucumegastigmane I

Cucumegastigmane I

C13H20O4 (240.136152)


   
   
   
   

Dihydroagroclavine

Dihydroagroclavine

C16H20N2 (240.16264)


   

Pyroclavin

6,8a-Dimethylergoline

C16H20N2 (240.16264)


   

(Z)-3,4-Dimethoxystilbene

(Z)-1-Methoxy-3-[2-(4-methoxyphenyl)ethenyl]-benzene

C16H16O2 (240.1150236)


   

DIMETILAN

DIMETILAN

C10H16N4O3 (240.12223459999998)


CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6865; ORIGINAL_PRECURSOR_SCAN_NO 6863 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6894; ORIGINAL_PRECURSOR_SCAN_NO 6893 CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6897; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6939; ORIGINAL_PRECURSOR_SCAN_NO 6936 CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6895; ORIGINAL_PRECURSOR_SCAN_NO 6893 CONFIDENCE standard compound; INTERNAL_ID 752; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6902; ORIGINAL_PRECURSOR_SCAN_NO 6900

   

3,3,5,5-Tetramethyldiphenoquinone

3,3,5,5-Tetramethyldiphenoquinone

C16H16O2 (240.1150236)


   

N1-Cyclohexyl-2-(2-cyanoacetyl)hydrazine-1-carbothioamide

N1-Cyclohexyl-2-(2-cyanoacetyl)hydrazine-1-carbothioamide

C10H16N4OS (240.10447659999997)


   
   

MCULE-1403233288

MCULE-1403233288

C17H20O (240.151407)


   

N-methyl-3-phenyl-3-(pyridin-2-yl)propanamide

N-methyl-3-phenyl-3-(pyridin-2-yl)propanamide

C15H16N2O (240.12625659999998)


   

N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide

N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide

C15H16N2O (240.12625659999998)


   

N,N-Dimethylcarbanilide

N,N`-dimethyl-N,N`-diphenylurea

C15H16N2O (240.12625659999998)


CONFIDENCE standard compound; INTERNAL_ID 33

   
   

Diethyl diallylmalonate

Diethyl diallylmalonate

C13H20O4 (240.136152)


   

heptadeca-2c,4c,8t,10t,16-pentaen-6-ynal

heptadeca-2c,4c,8t,10t,16-pentaen-6-ynal

C17H20O (240.151407)


   

(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano<3,4-c>pyran-1-one|(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano[3,4-c]pyran-1-one

(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano<3,4-c>pyran-1-one|(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano[3,4-c]pyran-1-one

C12H16O5 (240.0997686)


   

Cycloarthropsadiol C

Cycloarthropsadiol C

C12H16O5 (240.0997686)


   

5-acetonyl-5-sec-butyl-barbituric acid|5-Acetonyl-5-sec-butyl-barbitursaeure

5-acetonyl-5-sec-butyl-barbituric acid|5-Acetonyl-5-sec-butyl-barbitursaeure

C11H16N2O4 (240.11100159999998)


   

Hydroxyaspergillic acid

Hydroxyaspergillic acid

C12H20N2O3 (240.147385)


   

trans-9-hydroxy-3-methyl-8-oxo-dodec-trans-6-en-4-olide

trans-9-hydroxy-3-methyl-8-oxo-dodec-trans-6-en-4-olide

C13H20O4 (240.136152)


   
   

Drummondone A|Drummondone B

Drummondone A|Drummondone B

C13H20O4 (240.136152)


   

heptadeca-1,9t-diene-11,13,15-triyn-8-ol|trans-Heptadecadien-(1.9)-triin-(11.13.15)-ol-(8)

heptadeca-1,9t-diene-11,13,15-triyn-8-ol|trans-Heptadecadien-(1.9)-triin-(11.13.15)-ol-(8)

C17H20O (240.151407)


   

spiro[1,2,3,4-tetrahydrobeta-carboline-1,1-cyclohexane]

spiro[1,2,3,4-tetrahydrobeta-carboline-1,1-cyclohexane]

C16H20N2 (240.16264)


   

2-ETHYL-5-(2-PHENYLETHENYL)BENZENE-1,3-DIOL

2-ETHYL-5-(2-PHENYLETHENYL)BENZENE-1,3-DIOL

C16H16O2 (240.1150236)


   

1,5-diphenylpentan-3-ol

1,5-diphenylpentan-3-ol

C17H20O (240.151407)


   

(5E,7E,9Z,15E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-ol

(5E,7E,9Z,15E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-ol

C17H20O (240.151407)


   

3,4,5-trimethoxy-2-(2-methylpropyl)phenol

3,4,5-trimethoxy-2-(2-methylpropyl)phenol

C13H20O4 (240.136152)


   

(-)-12-hydroxyjasmonic acid methyl ester|(-)-methyl 12-hydroxyjasmonate|(1R,2R)-Methyl-5-hydroxyjasmonate|5-hydroxyjasmonic acid methyl ester|methyl (1R,2R)-5-hydroxyjasmonate|methyl (1S,2R,2Z)-2-(5-hydroxy-2-pentenyl)-3-oxo-cyclopentaneacetate

(-)-12-hydroxyjasmonic acid methyl ester|(-)-methyl 12-hydroxyjasmonate|(1R,2R)-Methyl-5-hydroxyjasmonate|5-hydroxyjasmonic acid methyl ester|methyl (1R,2R)-5-hydroxyjasmonate|methyl (1S,2R,2Z)-2-(5-hydroxy-2-pentenyl)-3-oxo-cyclopentaneacetate

C13H20O4 (240.136152)


   

7,8-Epoxide-(E,E,E)-1,7,9,15-Heptadecatetraene-11,13-diyne|hepta-deca-1,9E,15E-trien-11,13-diyn-7,8-epoxide

7,8-Epoxide-(E,E,E)-1,7,9,15-Heptadecatetraene-11,13-diyne|hepta-deca-1,9E,15E-trien-11,13-diyn-7,8-epoxide

C17H20O (240.151407)


   

6-Norsetoclavine|8-methyl-9,10-didehydro-ergolin-8-ol|Norsetoclavin|norsetoclavine

6-Norsetoclavine|8-methyl-9,10-didehydro-ergolin-8-ol|Norsetoclavin|norsetoclavine

C15H16N2O (240.12625659999998)


   

(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol

(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol

C17H20O (240.151407)


   

6-(4-Methyl-3-pentenyl)-1,4-naphthoquinone

6-(4-Methyl-3-pentenyl)-1,4-naphthoquinone

C16H16O2 (240.1150236)


   

(R)-4-isopropenyl-3-methoxy-1-(3-methyl-2-oxo-butyl)-imidazolidin-2-one|Alchorneinon|Alchorneinone

(R)-4-isopropenyl-3-methoxy-1-(3-methyl-2-oxo-butyl)-imidazolidin-2-one|Alchorneinon|Alchorneinone

C12H20N2O3 (240.147385)


   

(2beta,3beta,5alpha,6alpha,7E)-5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one

(2beta,3beta,5alpha,6alpha,7E)-5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one

C13H20O4 (240.136152)


   

Phenyl 3-deoxyhexopyranoside #

Phenyl 3-deoxyhexopyranoside #

C12H16O5 (240.0997686)


   
   
   
   

(3R)-heptadeca-1,9(Z),11(Z),16-tetraene-4,6-diyne-3-ol|didehydrofalcarinol

(3R)-heptadeca-1,9(Z),11(Z),16-tetraene-4,6-diyne-3-ol|didehydrofalcarinol

C17H20O (240.151407)


   

CCC(O)C(C)C=CC=CC(=O)C(C)C(O)=O

CCC(O)C(C)C=CC=CC(=O)C(C)C(O)=O

C13H20O4 (240.136152)


   

heptadeca-2t,9c,16-triene-4,6-diynal

heptadeca-2t,9c,16-triene-4,6-diynal

C17H20O (240.151407)


   

7,9,15-Heptodecatriene-11,13-diynal|heptadeca-7t,9t,15t-triene-11,13-diynal

7,9,15-Heptodecatriene-11,13-diynal|heptadeca-7t,9t,15t-triene-11,13-diynal

C17H20O (240.151407)


   
   

Pestalotiopyrone F

Pestalotiopyrone F

C12H16O5 (240.0997686)


   

2-methylidenepropane-1,3-diyl 1-((Z)-2-methyl-2-butenoate) 3-isobutyrate

2-methylidenepropane-1,3-diyl 1-((Z)-2-methyl-2-butenoate) 3-isobutyrate

C13H20O4 (240.136152)


   
   

hexadeca-2,4,6,8,10,12,14-heptaenedial

hexadeca-2,4,6,8,10,12,14-heptaenedial

C16H16O2 (240.1150236)


   

1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)-

1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)-

C16H20N2 (240.16264)


   

(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro<4.4>nonanol-9|(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro[4.4]nonanol-9|9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4,4]nonane-2-methanol

(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro<4.4>nonanol-9|(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro[4.4]nonanol-9|9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4,4]nonane-2-methanol

C13H20O4 (240.136152)


   
   

13-Carboxy-blumenol C

13-Carboxy-blumenol C

C13H20O4 (240.136152)


   

1-(4,7-dimethoxy-benzo[1,3]dioxol-5-yl)-propan-1-ol|1-hydroxy-3,4-methylenedioxy-2,5-dimethoxy-1-phenylpropane|2.5-Di-Me,3,4-methylene ether-1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol

1-(4,7-dimethoxy-benzo[1,3]dioxol-5-yl)-propan-1-ol|1-hydroxy-3,4-methylenedioxy-2,5-dimethoxy-1-phenylpropane|2.5-Di-Me,3,4-methylene ether-1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol

C12H16O5 (240.0997686)


   

(E)-1,8,16-Heptadecatriene-4,6-diyn-3-one|heptadeca-1,8t,16-triene-4,6-diyn-3-one

(E)-1,8,16-Heptadecatriene-4,6-diyn-3-one|heptadeca-1,8t,16-triene-4,6-diyn-3-one

C17H20O (240.151407)


   

bacillariolide III

bacillariolide III

C12H16O5 (240.0997686)


   

N,N-Di-o-tolylethylenediamine

N,N-Di-o-tolylethylenediamine

C16H20N2 (240.16264)


   

2,3,4,6-Tetramethoxyacetophenone

2,3,4,6-Tetramethoxyacetophenone

C12H16O5 (240.0997686)


   
   

2-carboxymethyl-3-hexylmaleic acid anhydride

2-carboxymethyl-3-hexylmaleic acid anhydride

C12H16O5 (240.0997686)


   

3,4-diethoxy-5-methoxybenzoic acid

3,4-diethoxy-5-methoxybenzoic acid

C12H16O5 (240.0997686)


   
   

erythro-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene|threo-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene

erythro-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene|threo-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene

C12H16O5 (240.0997686)


   

Neohydroxyaspergillic Acid

Neohydroxyaspergillic Acid

C12H20N2O3 (240.147385)


   
   
   

2-beta-alanylamino-3-(1(3)H-imidazol-4-yl)-butyric acid|3-Methyl-N$a--L-histidin

2-beta-alanylamino-3-(1(3)H-imidazol-4-yl)-butyric acid|3-Methyl-N$a--L-histidin

C10H16N4O3 (240.12223459999998)


   

papyracillic acid methyl acetal

papyracillic acid methyl acetal

C12H16O5 (240.0997686)


   

(3S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)pentanoic acid|(3S)-5-guaiacyl-3-hydroxypentanoic acid|3,4-dihydroxy-3-methoxy-benzenepentanoic acid

(3S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)pentanoic acid|(3S)-5-guaiacyl-3-hydroxypentanoic acid|3,4-dihydroxy-3-methoxy-benzenepentanoic acid

C12H16O5 (240.0997686)


   
   

1-methyl-7-oxo-6,6a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester|olenoside A

1-methyl-7-oxo-6,6a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester|olenoside A

C12H16O5 (240.0997686)


   

methyl (2Z,4E)-3-methoxycarbonyl-2-methyl-2,4-nonadienoate

methyl (2Z,4E)-3-methoxycarbonyl-2-methyl-2,4-nonadienoate

C13H20O4 (240.136152)


   

1-benzyl-beta-D-ribofuranoside|1-O-benzyl-beta-D-ribofuranose|2,3-O-isopropylidene-beta-D-riboside|benzyl beta-D-ribofuranoside|benzyl-beta-D-ribofuranoside

1-benzyl-beta-D-ribofuranoside|1-O-benzyl-beta-D-ribofuranose|2,3-O-isopropylidene-beta-D-riboside|benzyl beta-D-ribofuranoside|benzyl-beta-D-ribofuranoside

C12H16O5 (240.0997686)


   
   
   
   

(E)-4-((rel-3R,4S,6R)-4-hydroxy-4-methyl-6-(2-oxopropyl)-tetrahydro-2H-pyran-3-yl)but-3-en-2-one|quamopyran

(E)-4-((rel-3R,4S,6R)-4-hydroxy-4-methyl-6-(2-oxopropyl)-tetrahydro-2H-pyran-3-yl)but-3-en-2-one|quamopyran

C13H20O4 (240.136152)


   

3-Hydroxy-1,4-diphenylbutan-2-one

3-Hydroxy-1,4-diphenylbutan-2-one

C16H16O2 (240.1150236)


   
   

(6S,7R,8R,9S)-6-oxaspiro-7,8-dihydroxymegastigman-4-en-3-one|tubiflorone

(6S,7R,8R,9S)-6-oxaspiro-7,8-dihydroxymegastigman-4-en-3-one|tubiflorone

C13H20O4 (240.136152)


   
   

7-formyl-2,3-dihydrolinderazulene|ochracenoid A

7-formyl-2,3-dihydrolinderazulene|ochracenoid A

C16H16O2 (240.1150236)


   

diacetyldihydroterrein

diacetyldihydroterrein

C12H16O5 (240.0997686)


   

Ortal

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-hexyl-

C12H20N2O3 (240.147385)


   

1-Methoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

1-Methoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

C16H16O2 (240.1150236)


   

methyl 2,4,5-trimethoxy-6-methylbenzoate

methyl 2,4,5-trimethoxy-6-methylbenzoate

C12H16O5 (240.0997686)


   

Naphtho(2,3-b)furan, 9-methoxy-3,4,5-trimethyl-

Naphtho(2,3-b)furan, 9-methoxy-3,4,5-trimethyl-

C16H16O2 (240.1150236)


   

1-O-phenyl-alpha-L-rhamnopyranosyde

1-O-phenyl-alpha-L-rhamnopyranosyde

C12H16O5 (240.0997686)


   
   

1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol

1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol

C16H16O2 (240.1150236)


   

1-O-Methyl-dehydrologanin-aglucon|1-O-Methyl-dehydrologanin-aglukon

1-O-Methyl-dehydrologanin-aglucon|1-O-Methyl-dehydrologanin-aglukon

C12H16O5 (240.0997686)


   

4,4-Dimethoxy-trans-stilbene

4,4-Dimethoxy-trans-stilbene

C16H16O2 (240.1150236)


   

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione

C13H20O4 (240.136152)


   

cycloepoxylactone

cycloepoxylactone

C12H16O5 (240.0997686)


   

(all-E)-1,4,8,10,16-Heptadecapentaen-6-yn-3-one|heptadeca-1,4t,8t,10t,16-pentaen-6-yn-3-one|Heptadeca-pentaen-(1,4t,8t,10t,16)-in-(6)-on-(3)

(all-E)-1,4,8,10,16-Heptadecapentaen-6-yn-3-one|heptadeca-1,4t,8t,10t,16-pentaen-6-yn-3-one|Heptadeca-pentaen-(1,4t,8t,10t,16)-in-(6)-on-(3)

C17H20O (240.151407)


   

methyl 2-[2,2-dimethyl-6-oxo-7-dihydro-1,3-benzodioxol-3(6H)-yl]acetate

methyl 2-[2,2-dimethyl-6-oxo-7-dihydro-1,3-benzodioxol-3(6H)-yl]acetate

C12H16O5 (240.0997686)


   

(2E,8E,10E)-heptadeca-2,8,10-triene-4,6-diyn-1-al|all-trans-Heptadecatrien-(2.8.10)-diin-(4.6)-al|enanthetal|heptadeca-2t,8t,10t-triene-4,6-diynal|oenanthetal

(2E,8E,10E)-heptadeca-2,8,10-triene-4,6-diyn-1-al|all-trans-Heptadecatrien-(2.8.10)-diin-(4.6)-al|enanthetal|heptadeca-2t,8t,10t-triene-4,6-diynal|oenanthetal

C17H20O (240.151407)


   

4,6-dihydroxy-2-O-(4-hydroxybutyl)acetophenone

4,6-dihydroxy-2-O-(4-hydroxybutyl)acetophenone

C12H16O5 (240.0997686)


   

2,5-Furandipropionsaeure-dimethylester

2,5-Furandipropionsaeure-dimethylester

C12H16O5 (240.0997686)


   

1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene

1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene

C14H24OS (240.15477739999997)


   

(1S,2R)-2,6-dihydroxy-4-(2-hydroxy-1-methylpropyl)-3-methylbenzoic acid|2,6-Dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoesaeure|2,6-dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoic acid|2.6-Dihydroxy-3-methyl-4-((1S:2R)-2-hydroxy-1-methyl-propyl)-benzoesaeure|Dg-threo-2-(3.5-Dihydroxy-2-methyl-4-carboxy-phenyl)-butanol-(3)|phenol A acid

(1S,2R)-2,6-dihydroxy-4-(2-hydroxy-1-methylpropyl)-3-methylbenzoic acid|2,6-Dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoesaeure|2,6-dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoic acid|2.6-Dihydroxy-3-methyl-4-((1S:2R)-2-hydroxy-1-methyl-propyl)-benzoesaeure|Dg-threo-2-(3.5-Dihydroxy-2-methyl-4-carboxy-phenyl)-butanol-(3)|phenol A acid

C12H16O5 (240.0997686)


   
   

(r,s)-methyl-beta-(3,4-dimethoxyphenyl)-lactate

(r,s)-methyl-beta-(3,4-dimethoxyphenyl)-lactate

C12H16O5 (240.0997686)


   

1-(2-hydroxy-4,6-dimethoxyphenyl)-1-oxo-butan-3-ol

1-(2-hydroxy-4,6-dimethoxyphenyl)-1-oxo-butan-3-ol

C12H16O5 (240.0997686)


   

1, 2-Dihydroxy-Flavacol|1-hydroxy-6-(2-hydroxy-2-methyl-propyl)-3-isobutyl-1H-pyrazin-2-one|beta-Hydroxyneoaspergillinsaeure

1, 2-Dihydroxy-Flavacol|1-hydroxy-6-(2-hydroxy-2-methyl-propyl)-3-isobutyl-1H-pyrazin-2-one|beta-Hydroxyneoaspergillinsaeure

C12H20N2O3 (240.147385)


   

enanthetone|Heptadeca-7t,9t,15t-trien-11,13-diin-4-on|heptadeca-7t,9t,15t-triene-11,13-diyn-4-one|Oenantheton|oenanthetone

enanthetone|Heptadeca-7t,9t,15t-trien-11,13-diin-4-on|heptadeca-7t,9t,15t-triene-11,13-diyn-4-one|Oenantheton|oenanthetone

C17H20O (240.151407)


   

6alpha-6-Chloro-4(15)-eudesmene|Acanthene A

6alpha-6-Chloro-4(15)-eudesmene|Acanthene A

C15H25Cl (240.164468)


   

2,4-O-Benzylidene-Ribitol

2,4-O-Benzylidene-Ribitol

C12H16O5 (240.0997686)


   
   

pheniramine

PHE_241.1699_9.7

C16H20N2 (240.16264)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1500 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3005 EAWAG_UCHEM_ID 3005; CONFIDENCE standard compound

   

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid

C12H16O5 (240.0997686)


   

imiquimod

1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine

C14H16N4 (240.13748959999998)


D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent

   

L-Anserine

L-Anserine nitrate salt

C10H16N4O3 (240.12223459999998)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; MYYIAHXIVFADCU-QMMMGPOBSA-N_STSL_0210_L-Anserine_0500fmol_190326_S2_LC02MS02_048; 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. Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2]. Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2].

   

Homocarnosine

g-Aminobutyryl histidine

C10H16N4O3 (240.12223459999998)


A histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group.

   

3-(3,4,5-trimethoxyphenyl)propanoic acid

NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid

C12H16O5 (240.0997686)


   

3-(2,4,5-trimethoxyphenyl)propanoic acid

NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid

C12H16O5 (240.0997686)


   

NPE_241.1335_10.3

NPE_241.1335_10.3

C15H16N2O (240.12625659999998)


CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1108

   

NPE_241.1335_10.8

NPE_241.1335_10.8

C15H16N2O (240.12625659999998)


CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1113

   

Anserine

L-Anserine

C10H16N4O3 (240.12223459999998)


A dipeptide comprising of beta-alanine and 3-methyl-L-histidine units. C26170 - Protective Agent > C275 - Antioxidant Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2]. Anserine, a methylated form of Carnosine, is an orally active, natural Histidine-containing dipeptide found in skeletal muscle of vertebrates. Anserine is not cleaved by serum carnosinase and act as biochemical buffers, chelators, antioxidants, and anti-glycation agents. Anserine improves memory functions in Alzheimer's disease (AD)-model mice[1][2].

   

CMPF

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid

C12H16O5 (240.0997686)


   

2-hydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one

2-hydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one

C12H16O5 (240.0997686)


   

diethyldiallylmalonate

Diethyl diallylmalonate

C13H20O4 (240.136152)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1054

   

3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based: Match]

NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based: Match]

C12H16O5 (240.0997686)


   

Tetramethylbenzidine

3,3,5,5-Tetramethylbenzidine

C16H20N2 (240.16264)


CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7009; ORIGINAL_PRECURSOR_SCAN_NO 7004 D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7044; ORIGINAL_PRECURSOR_SCAN_NO 7042 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7048; ORIGINAL_PRECURSOR_SCAN_NO 7044 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7061; ORIGINAL_PRECURSOR_SCAN_NO 7059 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7072; ORIGINAL_PRECURSOR_SCAN_NO 7068

   
   
   
   
   
   

Balenine

Beta-alanyl-n tau-methyl histidine

C10H16N4O3 (240.12223459999998)


   

TMB (hydrochloride hydrate)

3,3,5,5-tetramethyl-[1,1-biphenyl]-4,4-diamine, dihydrochloride, dihydrate

C16H20N2 (240.16264)


   

1,1-(Z)-ethene-1,2-diylbis(4-methoxybenzene)

1,1-(Z)-ethene-1,2-diylbis(4-methoxybenzene)

C16H16O2 (240.1150236)


   

Obtustyrene

3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol

C16H16O2 (240.1150236)


   

3,5-Dimethoxystilbene

1,3-dimethoxy-5-[(Z)-2-phenylethenyl]benzene

C16H16O2 (240.1150236)


   

1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne

(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate

C16H16O2 (240.1150236)


   

alpha -Toluate

Benzeneacetic acid, 2-phenylethyl ester

C16H16O2 (240.1150236)


   

Gizzerosine

2-amino-6-{[2-(1H-imidazol-4-yl)ethyl]amino}hexanoic acid

C11H20N4O2 (240.15861800000002)


   

FA 13:3;O2

(1R,2R,2E)-2-[5-(hydroxy)-2-penten-1-yl]-3-oxocyclopentane acetic acid methyl ester

C13H20O4 (240.136152)


   

FA 17:7;O

(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-4-one

C17H20O (240.151407)


   

Avenolide

(4S,10R)-hydroxy-10-methyl-9-oxo-dodec-2-en-1,4-olide

C13H20O4 (240.136152)


   

Mycenolide A

(4s)-10-Hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide

C13H20O4 (240.136152)


   

N-isopropyl-4,4-methylenedianiline

N-isopropyl-4,4-methylenedianiline

C16H20N2 (240.16264)


   

4-ETHYL-4-METHOXYBENZOPHENONE

4-ETHYL-4-METHOXYBENZOPHENONE

C16H16O2 (240.1150236)


   

2,2-Dimethylpropanediol dimethacrylate

2,2-Dimethylpropanediol dimethacrylate

C13H20O4 (240.136152)


   

4-benzyloxy-3,5-dimethylbenzaldehyde

4-benzyloxy-3,5-dimethylbenzaldehyde

C16H16O2 (240.1150236)


   

(6-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone

(6-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone

C15H16N2O (240.12625659999998)


   

1-(2-naphthalen-1-ylethyl)piperazine

1-(2-naphthalen-1-ylethyl)piperazine

C16H20N2 (240.16264)


   
   

1,5-pentanediol dimethacrylate

1,5-pentanediol dimethacrylate

C13H20O4 (240.136152)


   

4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one

4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one

C16H16O2 (240.1150236)


   

3-(PYRROLIDIN-1-YLMETHYL)PIPERIDINE

3-(PYRROLIDIN-1-YLMETHYL)PIPERIDINE

C10H22Cl2N2 (240.1159952)


   

(1R,2R)-(-)-1,2-DICYCLOHEXYL-1,2-ETHANEDIOL

(1R,2R)-(-)-1,2-DICYCLOHEXYL-1,2-ETHANEDIOL

C16H20N2 (240.16264)


   
   

Benzene,1-(2,2-diethoxyethoxy)-4-methoxy-

Benzene,1-(2,2-diethoxyethoxy)-4-methoxy-

C13H20O4 (240.136152)


   

Neopentyl Glycol Dimethacrylate

Neopentyl Glycol Dimethacrylate

C13H20O4 (240.136152)


   

4-ethenyl-2-methoxy-1-phenylmethoxybenzene

4-ethenyl-2-methoxy-1-phenylmethoxybenzene

C16H16O2 (240.1150236)


   

Benzoin ethyl ether

Benzoin ethyl ether

C16H16O2 (240.1150236)


   
   

bis(2,6-dimethylphenyl)methanol

bis(2,6-dimethylphenyl)methanol

C17H20O (240.151407)


   

Benzathine

N,N-Dibenzylethylenediamine

C16H20N2 (240.16264)


   

3-amino-N-(2,6-dimethylphenyl)benzamide

3-amino-N-(2,6-dimethylphenyl)benzamide

C15H16N2O (240.12625659999998)


   

2,2,5-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

2,2,5-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C16H16O2 (240.1150236)


   

2,3,5-TRIMETHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

2,3,5-TRIMETHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C16H16O2 (240.1150236)


   
   

4-Benzyloxy-propiophenone

4-Benzyloxy-propiophenone

C16H16O2 (240.1150236)


   

2,2,4-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

2,2,4-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C16H16O2 (240.1150236)


   

2-(3,5-DIMETHYL-[1,1-BIPHENYL]-3-YL)ACETIC ACID

2-(3,5-DIMETHYL-[1,1-BIPHENYL]-3-YL)ACETIC ACID

C16H16O2 (240.1150236)


   

2-(3,5-DIMETHYL-[1,1-BIPHENYL]-4-YL)ACETIC ACID

2-(3,5-DIMETHYL-[1,1-BIPHENYL]-4-YL)ACETIC ACID

C16H16O2 (240.1150236)


   

tetrabarbital

tetrabarbital

C12H20N2O3 (240.147385)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

   

5-Butyl-2-(4-ethylphenyl)pyrimidine

5-Butyl-2-(4-ethylphenyl)pyrimidine

C16H20N2 (240.16264)


   

3,4-difluorophenylboronic acid pinacol ester

3,4-difluorophenylboronic acid pinacol ester

C12H15BF2O2 (240.11331040000002)


   

5-methylpyrido[4,3-b]indole-3-carbohydrazide

5-methylpyrido[4,3-b]indole-3-carbohydrazide

C13H12N4O (240.10110619999998)


   
   

3-FORMYLPHENYLBORONICACID

3-FORMYLPHENYLBORONICACID

C12H17ClN2O (240.1029342)


   

Xenbucin

2-(4-phenylphenyl)butanoic acid

C16H16O2 (240.1150236)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

diethyl 1-amino-3-methyl-1h-pyrrole-2,4-dicarboxylate

diethyl 1-amino-3-methyl-1h-pyrrole-2,4-dicarboxylate

C11H16N2O4 (240.11100159999998)


   
   

2-[1-(2-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

2-[1-(2-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

C15H16N2O (240.12625659999998)


   

Benzene,1-methoxy-4-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-

Benzene,1-methoxy-4-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-

C16H16O2 (240.1150236)


   

3,6-bis(2-hydroxyethyl)-2-Pyrazinepropanoic acid

3,6-bis(2-hydroxyethyl)-2-Pyrazinepropanoic acid

C11H16N2O4 (240.11100159999998)


   

3-[4-(Phenoxymethyl)phenyl]propanal

3-[4-(Phenoxymethyl)phenyl]propanal

C16H16O2 (240.1150236)


   

3-[3-(Benzyloxy)phenyl]propanal

3-[3-(Benzyloxy)phenyl]propanal

C16H16O2 (240.1150236)


   

8-(P-TOLYL)-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE

8-(P-TOLYL)-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE

C15H16N2O (240.12625659999998)


   

METHYL 7-(3-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE

METHYL 7-(3-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE

C13H20O4 (240.136152)


   

tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

C12H20N2O3 (240.147385)


   

Uracil,1,3-dimethyl-5-N-methylacetamido-6-methylamino- (6CI)

Uracil,1,3-dimethyl-5-N-methylacetamido-6-methylamino- (6CI)

C10H16N4O3 (240.12223459999998)


   

4-ETHYL-2-METHOXYBENZOPHENONE

4-ETHYL-2-METHOXYBENZOPHENONE

C16H16O2 (240.1150236)


   

3,4,5-TRIETHOXYBENZYL ALCOHOL

3,4,5-TRIETHOXYBENZYL ALCOHOL

C13H20O4 (240.136152)


   

2-FLUORO-4-N-HEXYLOXYBENZOIC ACID

2-FLUORO-4-N-HEXYLOXYBENZOIC ACID

C13H17FO3 (240.11616640000003)


   

4-TERT-BUTYLBENZHYDROL

4-TERT-BUTYLBENZHYDROL

C17H20O (240.151407)


   

1-benzyl-1,4-diazepan-5-one(HCl)

1-benzyl-1,4-diazepan-5-one(HCl)

C12H17ClN2O (240.1029342)


   

2-Methyl-2-propanyl 4-cyano-4-methoxy-1-piperidinecarboxylate

2-Methyl-2-propanyl 4-cyano-4-methoxy-1-piperidinecarboxylate

C12H20N2O3 (240.147385)


   

(1S,2R)-2-CHLORO-CYCLOPENTANOL

(1S,2R)-2-CHLORO-CYCLOPENTANOL

C16H20N2 (240.16264)


   

3-(2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)PROPANOIC ACID

3-(2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)PROPANOIC ACID

C11H16N2O4 (240.11100159999998)


   

2-{2-[2-(Benzyloxy)ethoxy]ethoxy}ethanol

2-{2-[2-(Benzyloxy)ethoxy]ethoxy}ethanol

C13H20O4 (240.136152)


   

2-(2,6-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(2,6-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C12H15BF2O2 (240.11331040000002)


   

3-Benzylidene camphor

1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one

C17H20O (240.151407)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D003879 - Dermatologic Agents D003358 - Cosmetics

   

l-(+)-threo-2-(n,n-dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol

l-(+)-threo-2-(n,n-dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol

C11H16N2O4 (240.11100159999998)


   

PIPERAZIN-1-YL-O-TOLYL-METHANONE HYDROCHLORIDE

PIPERAZIN-1-YL-O-TOLYL-METHANONE HYDROCHLORIDE

C12H17ClN2O (240.1029342)


   

lithium,2-[(4-methylpiperazin-1-yl)methyl]benzoate

lithium,2-[(4-methylpiperazin-1-yl)methyl]benzoate

C13H17LiN2O2 (240.14500120000002)


   

4,4-Dimethoxystilbene

1,1-(Z)-ethene-1,2-diylbis(4-methoxybenzene)

C16H16O2 (240.1150236)


4,4-dimethoxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4,4-dimethoxystilbene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethoxystilbene can be found in anise, which makes 4,4-dimethoxystilbene a potential biomarker for the consumption of this food product.

   

(4-BENZYL-PIPERAZIN-1-YL)-ACETIC ACID

(4-BENZYL-PIPERAZIN-1-YL)-ACETIC ACID

C12H17ClN2O (240.1029342)


   

2-Bromo-6-methoxyimidazo[1,2-a]pyridine

2-Bromo-6-methoxyimidazo[1,2-a]pyridine

C11H16N2O4 (240.11100159999998)


   

2,2-BIPIPERIDINE DIHYDROCHLORIDE

2,2-BIPIPERIDINE DIHYDROCHLORIDE

C10H22Cl2N2 (240.1159952)


   

2-(2-chlorophenyl)-2-morpholin-4-ylethanamine

2-(2-chlorophenyl)-2-morpholin-4-ylethanamine

C12H17ClN2O (240.1029342)


   

2-[bis(2-hydroxyethyl)amino]ethanol,propane,titanium

2-[bis(2-hydroxyethyl)amino]ethanol,propane,titanium

C9H22NO3Ti- (240.1079072)


   

1,3-DIBUTYLPYRIMIDINE-2,4,6-TRIONE

1,3-DIBUTYLPYRIMIDINE-2,4,6-TRIONE

C12H20N2O3 (240.147385)


   

3-(4-hydroxypiperidine-1-carbonyl)piperidine-1-carbaldehyde

3-(4-hydroxypiperidine-1-carbonyl)piperidine-1-carbaldehyde

C12H20N2O3 (240.147385)


   

1-butyl-2,3-dimethylimidazolium tetrafluoroborate

1-butyl-2,3-dimethylimidazolium tetrafluoroborate

C9H17BF4N2 (240.14208399999998)


   

3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)phenol

3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)phenol

C15H16N2O (240.12625659999998)


   
   

4-AMINO-N-(1-PHENYLETHYL)BENZAMIDE

1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERIDINE-4-OL

C15H16N2O (240.12625659999998)


   

4-(4-N-PENTYLPHENYL)PHENOL

4-(4-N-PENTYLPHENYL)PHENOL

C17H20O (240.151407)


   

6-Boc-1-oxo-2,6-diazaspiro[3.5]nonane

6-Boc-1-oxo-2,6-diazaspiro[3.5]nonane

C12H20N2O3 (240.147385)


   
   

METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE

METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE

C13H20O4 (240.136152)


   

6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione

C11H20N4O2 (240.15861800000002)


   

2-(3-hexylthiophen-2-yl)-1,3-dioxolane

2-(3-hexylthiophen-2-yl)-1,3-dioxolane

C13H20O2S (240.11839400000002)


   

2-(4,4-difluoropiperidin-1-yl)-2-phenylethanamine

2-(4,4-difluoropiperidin-1-yl)-2-phenylethanamine

C13H18F2N2 (240.1437972)


   

2-Benzyl-3-phenylpropanoic acid

2-Benzyl-3-phenylpropanoic acid

C16H16O2 (240.1150236)


   

n-phenyl-4-piperidinecarboxamide hydrochloride

n-phenyl-4-piperidinecarboxamide hydrochloride

C12H17ClN2O (240.1029342)


   

3-[tert-butyl(dimethyl)silyl]oxybenzenethiol

3-[tert-butyl(dimethyl)silyl]oxybenzenethiol

C12H20OSSi (240.10040700000002)


   

3-[(2,4-Dimethyl-1-penten-3-yl)oxy]phthalonitrile

3-[(2,4-Dimethyl-1-penten-3-yl)oxy]phthalonitrile

C15H16N2O (240.12625659999998)


   

1,4-Naphthalenedione,2-cyclohexyl-

1,4-Naphthalenedione,2-cyclohexyl-

C16H16O2 (240.1150236)


   

Benzeneacetic acid, a-ethyl-a-phenyl-

Benzeneacetic acid, a-ethyl-a-phenyl-

C16H16O2 (240.1150236)


   

Furan-2-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine

Furan-2-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine

C15H16N2O (240.12625659999998)


   

2-{1-[(5-METHYL-2-FURYL)METHYL]-3-OXO-2-PIPERAZINYL}ACETIC ACID

2-{1-[(5-METHYL-2-FURYL)METHYL]-3-OXO-2-PIPERAZINYL}ACETIC ACID

C15H16N2O (240.12625659999998)


   

4-[4-(TERT-BUTYL)PHENOXY]ANILINE HYDROCHLORIDE

4-[4-(TERT-BUTYL)PHENOXY]ANILINE HYDROCHLORIDE

C15H16N2O (240.12625659999998)


   
   

3-(2-METHOXYETHYL)PIPERIDINE HYDROCHLORIDE

3-(2-METHOXYETHYL)PIPERIDINE HYDROCHLORIDE

C15H16N2O (240.12625659999998)


   

4-(4-FLUORO-2-NITROPHENYL)MORPHOLINE

4-(4-FLUORO-2-NITROPHENYL)MORPHOLINE

C15H16N2O (240.12625659999998)


   

1-(4-BENZYLOXY-PHENYL)-PROPAN-2-ONE

1-(4-BENZYLOXY-PHENYL)-PROPAN-2-ONE

C16H16O2 (240.1150236)


   

tert-Butyl(diphenyl)silane

tert-Butyl(diphenyl)silane

C16H20Si (240.13342)


   

1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL

1-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

C13H12N4O (240.10110619999998)


   

(S)-(+)-4-(2-Methylbutyl)-[1,1-biphenyl]-4-ol

(S)-(+)-4-(2-Methylbutyl)-[1,1-biphenyl]-4-ol

C17H20O (240.151407)


   

1-(3-TRIFLUOROMETHYLPHENOXY)-2-PROPANONE

1-(3-TRIFLUOROMETHYLPHENOXY)-2-PROPANONE

C16H16O2 (240.1150236)


   

Pyrrolidine, 1-[[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]acetyl]- (9CI)

Pyrrolidine, 1-[[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]acetyl]- (9CI)

C10H16N4OS (240.10447659999997)


   

2,4-Difluorophenylboronic acid, pinacol ester

2,4-Difluorophenylboronic acid, pinacol ester

C12H15BF2O2 (240.11331040000002)


   

3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile

3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile

C15H16N2O (240.12625659999998)


   

dibenzyl(dimethyl)silane

dibenzyl(dimethyl)silane

C16H20Si (240.13342)


   

Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate

Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate

C12H20N2O3 (240.147385)


   

potassium dodecanoate-2,2-d2

potassium dodecanoate-2,2-d2

C12H21D2KO2 (240.146058156)


   

1-((BENZO[D]THIAZOL-2-YL)METHYL)HYDRAZINE

1-((BENZO[D]THIAZOL-2-YL)METHYL)HYDRAZINE

C15H16N2O (240.12625659999998)


   

2-chloro-5-nonylpyrimidine

2-chloro-5-nonylpyrimidine

C13H21ClN2 (240.1393176)


   

[4-(BENZYLAMINO-METHYL)-PHENYL]-DIMETHYL-AMINE

[4-(BENZYLAMINO-METHYL)-PHENYL]-DIMETHYL-AMINE

C16H20N2 (240.16264)


   

4-ISOPROPYL-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

4-ISOPROPYL-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

C16H16O2 (240.1150236)


   

6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one

C15H16N2O (240.12625659999998)


   
   

2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine

2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine

C15H16N2O (240.12625659999998)


   

5-N-(Boc)-aminomethyl-3-isopropylisoxazole

5-N-(Boc)-aminomethyl-3-isopropylisoxazole

C12H20N2O3 (240.147385)


   
   

4,4-Bipiperidine dihydrochloride

4,4-Bipiperidine dihydrochloride

C10H22Cl2N2 (240.1159952)


   

(2,5-dimethylphenyl)-(4-methoxyphenyl)methanone

(2,5-dimethylphenyl)-(4-methoxyphenyl)methanone

C16H16O2 (240.1150236)


   

2-cyanoguanidine,formaldehyde,1,3,5-triazine-2,4,6-triamine

2-cyanoguanidine,formaldehyde,1,3,5-triazine-2,4,6-triamine

C6H12N10O (240.1195502)


   

1-(2-METHYLNAPHTHALEN-1-YLMETHYL)PIPERAZINE

1-(2-METHYLNAPHTHALEN-1-YLMETHYL)PIPERAZINE

C16H20N2 (240.16264)


   

5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane

5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane

C15H17BO2 (240.13215320000003)


   

4-Chloro-N,N-diisopropylpicolinamide

4-Chloro-N,N-diisopropylpicolinamide

C12H17ClN2O (240.1029342)


   

1-PHENETHYLPIPERIDIN-4-AMINE HYDROCHLORIDE

1-PHENETHYLPIPERIDIN-4-AMINE HYDROCHLORIDE

C13H21ClN2 (240.1393176)


   

2-(2,4-DIBROMO-6-METHYLPHENOXY)ACETIC ACID

2-(2,4-DIBROMO-6-METHYLPHENOXY)ACETIC ACID

C15H16N2O (240.12625659999998)


   

Simtrazene

2-Tetrazene,1,4-dimethyl-1,4-diphenyl-

C14H16N4 (240.13748959999998)


C274 - Antineoplastic Agent

   

tert-Butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

tert-Butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

C12H20N2O3 (240.147385)


   

1-(2-METHOXYETHYL)-3-PYRROLIDINYL]METHANOL

1-(2-METHOXYETHYL)-3-PYRROLIDINYL]METHANOL

C15H16N2O (240.12625659999998)


   

N-ethyl-4-(4-ethylaminophenyl)aniline

N-ethyl-4-(4-ethylaminophenyl)aniline

C16H20N2 (240.16264)


   

6-Benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one

6-Benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one

C15H16N2O (240.12625659999998)


   

5-CHLORO-2,4-DIMETHOXY-BENZENESULFONYL CHLORIDE

5-CHLORO-2,4-DIMETHOXY-BENZENESULFONYL CHLORIDE

C15H16N2O (240.12625659999998)


   

2-AMINO-6-METHYL-N-(O-TOLYL)BENZAMIDE

2-AMINO-6-METHYL-N-(O-TOLYL)BENZAMIDE

C15H16N2O (240.12625659999998)


   

N-[3-(Benzylamino)phenyl]acetamide

N-[3-(Benzylamino)phenyl]acetamide

C15H16N2O (240.12625659999998)


   

1,3-Diisopropylimidazolium tetrafluoroborate

1,3-Diisopropylimidazolium tetrafluoroborate

C9H17BF4N2 (240.14208399999998)


   

β-Phenylhydrocinnamic acid hydrazide

β-Phenylhydrocinnamic acid hydrazide

C15H16N2O (240.12625659999998)


   

TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE

TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE

C15H25Cl (240.164468)


   

(S)-TERT-BUTYL (1-(5-FLUOROPYRIDIN-2-YL)ETHYL)CARBAMATE

(S)-TERT-BUTYL (1-(5-FLUOROPYRIDIN-2-YL)ETHYL)CARBAMATE

C12H17FN2O2 (240.12739940000003)


   

(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine

(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine

C16H20N2 (240.16264)


   

(2,2-DIETHOXYETHYL)(P-TOLYL)SULFANE

(2,2-DIETHOXYETHYL)(P-TOLYL)SULFANE

C13H20O2S (240.11839400000002)


   

1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE

1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE

C15H16N2O (240.12625659999998)


   

1-[2-(2-Chloro-phenoxy)-ethyl]-piperazine

1-[2-(2-Chloro-phenoxy)-ethyl]-piperazine

C12H17ClN2O (240.1029342)


   

(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid(SALTDATA: FREE)

(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid(SALTDATA: FREE)

C11H16N2O4 (240.11100159999998)


   

(1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYLAMINE

(1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYLAMINE

C11H16N2O4 (240.11100159999998)


   

1-(3-TRIFLUOROMETHYLPHENYL)-[1,4]DIAZEPANE

1-(3-TRIFLUOROMETHYLPHENYL)-[1,4]DIAZEPANE

C16H16O2 (240.1150236)


   

Triglycerol

1,3-Bis(2,3-dihydroxypropyl)-2-propanol

C9H20O7 (240.120897)


   

(2R,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

(2R,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

C11H16N2O4 (240.11100159999998)


   

(2R,4R)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

(2R,4R)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

C11H16N2O4 (240.11100159999998)


   

(4-Propyl-4-biphenylyl)boronic acid

(4-Propyl-4-biphenylyl)boronic acid

C15H17BO2 (240.13215320000003)


   

6-(piperidin-1-ylmethyl)naphthalen-2-amine

6-(piperidin-1-ylmethyl)naphthalen-2-amine

C16H20N2 (240.16264)


   

1-(dimethylamino)-3-(4-nitrophenoxy)propan-2-ol

1-(dimethylamino)-3-(4-nitrophenoxy)propan-2-ol

C11H16N2O4 (240.11100159999998)


   

1-[3-(Benzyloxy)phenyl]-1-propanone

1-[3-(Benzyloxy)phenyl]-1-propanone

C16H16O2 (240.1150236)


   

TERT-BUTYL 4-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

TERT-BUTYL 4-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

C15H16N2O (240.12625659999998)


   
   

4-(PYRROLIDIN-1-YLMETHYL)PIPERIDINE DIHYDROCHLORIDE

4-(PYRROLIDIN-1-YLMETHYL)PIPERIDINE DIHYDROCHLORIDE

C10H22Cl2N2 (240.1159952)


   

4-(PENTYLOXY)BIPHENYL

4-(PENTYLOXY)BIPHENYL

C17H20O (240.151407)


   

2-[4-(1-Piperazinyl)phenyl]pyrimidine

2-[4-(1-Piperazinyl)phenyl]pyrimidine

C14H16N4 (240.13748959999998)


   

3-PHENYL-6-(PIPERAZIN-1-YL)PYRIDAZINE

3-PHENYL-6-(PIPERAZIN-1-YL)PYRIDAZINE

C14H16N4 (240.13748959999998)


   

2-Methyl-2-propanyl 4-cyano-4-(hydroxymethyl)-1-piperidinecarboxylate

2-Methyl-2-propanyl 4-cyano-4-(hydroxymethyl)-1-piperidinecarboxylate

C12H20N2O3 (240.147385)


   

2,3,5-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

2,3,5-TRIMETHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C16H16O2 (240.1150236)


   

Benmoxin

N-(1-phenylethyl)benzohydrazide

C15H16N2O (240.12625659999998)


C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

   

(2S,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid

C11H16N2O4 (240.11100159999998)


   

4,4-diamino-2,2-dimethylbibenzyl

4,4-diamino-2,2-dimethylbibenzyl

C16H20N2 (240.16264)


   

2,3-difluorophenylboronic acid pinacol ester

2,3-difluorophenylboronic acid pinacol ester

C12H15BF2O2 (240.11331040000002)


   

Ethanone,2-hydroxy-1,2-bis(4-methylphenyl)-

Ethanone,2-hydroxy-1,2-bis(4-methylphenyl)-

C16H16O2 (240.1150236)


   

Propanedioic acid,2-(2-cyclohexen-1-yl)-, 1,3-diethyl ester

Propanedioic acid,2-(2-cyclohexen-1-yl)-, 1,3-diethyl ester

C13H20O4 (240.136152)


   

[4-(6-sulfanylhexoxy)phenyl]methanol

[4-(6-sulfanylhexoxy)phenyl]methanol

C13H20O2S (240.11839400000002)


   

2-(3,5-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BF2O2 (240.11331040000002)


   

6-Amino-1,3-dipropyl-5-nitrosouracil

6-Amino-1,3-dipropyl-5-nitrosouracil

C10H16N4O3 (240.12223459999998)


   

JSH-23

4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

C16H20N2 (240.16264)


   

1-(2,3-DIHYDROBENZOFURAN-4-YL)PIPERAZINE HYDROCHLORIDE

1-(2,3-DIHYDROBENZOFURAN-4-YL)PIPERAZINE HYDROCHLORIDE

C12H17ClN2O (240.1029342)


   

6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

C16H16O2 (240.1150236)


   

PIPERIDIN-4-YL-QUINOLIN-3-YL-METHANONE

PIPERIDIN-4-YL-QUINOLIN-3-YL-METHANONE

C15H16N2O (240.12625659999998)


   

TEMPO methacrylate

(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate

C13H22NO3 (240.1599602)


   

2-(4-CHLORO-PHENYL)-2-MORPHOLIN-4-YL-ETHYLAMINE

2-(4-CHLORO-PHENYL)-2-MORPHOLIN-4-YL-ETHYLAMINE

C12H17ClN2O (240.1029342)


   

tert-butyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate

C12H20N2O3 (240.147385)


   

4-(4-n-propylphenyl)benzoic acid

4-(4-n-propylphenyl)benzoic acid

C16H16O2 (240.1150236)


   

2-(METHYLSULFINYL)ETHANAMINE HYDROCHLORIDE

2-(METHYLSULFINYL)ETHANAMINE HYDROCHLORIDE

C10H24O3Ti (240.1204824)


   
   

TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE HYDROCHLORIDE

TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE HYDROCHLORIDE

C12H20N2O3 (240.147385)


   

4-(4-BIPHENYLYL)BUTYRIC ACID

4-(4-BIPHENYLYL)BUTYRIC ACID

C16H16O2 (240.1150236)


   

3,3,5,5-TETRAMETHYL-[1,1-BIPHENYL]-4,4-DIAMINE DIHYDROCHLORIDE HYDRATE

3,3,5,5-TETRAMETHYL-[1,1-BIPHENYL]-4,4-DIAMINE DIHYDROCHLORIDE HYDRATE

C16H20N2 (240.16264)


   

5,5-dimethyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione

5,5-dimethyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione

C11H16N2O4 (240.11100159999998)


   

(5S)-5-[(benzylamino)methyl]-2-pyrrolidinone hydrochloride

(5S)-5-[(benzylamino)methyl]-2-pyrrolidinone hydrochloride

C12H17ClN2O (240.1029342)


   

4-Piperidinylpiperidine dihydrochloride

4-Piperidinylpiperidine dihydrochloride

C10H22Cl2N2 (240.1159952)


   

1-Methyl-3-pentylimidazolium Tetrafluoroborate

1-Methyl-3-pentylimidazolium Tetrafluoroborate

C9H17BF4N2 (240.14208399999998)


   

11b-methyl-2,5,6,11-tetrahydro-1H-pyrrolo[5,1-a]$b-carbolin-3-one

11b-methyl-2,5,6,11-tetrahydro-1H-pyrrolo[5,1-a]$b-carbolin-3-one

C15H16N2O (240.12625659999998)


   

4-[(6-Chloro-pyridin-3-ylMethyl)-aMino]-cyclohexanol

4-[(6-Chloro-pyridin-3-ylMethyl)-aMino]-cyclohexanol

C12H17ClN2O (240.1029342)


   

4-AMinobenzo-12-crown-4

4-AMinobenzo-12-crown-4

C12H18NO4 (240.1235768)


   

1,4-Bipiperidine dihydrochloride

1,4-Bipiperidine dihydrochloride

C10H22Cl2N2 (240.1159952)


   

N,N,N,N-TETRAMETHYLBENZIDINE

N,N,N,N-TETRAMETHYLBENZIDINE

C16H20N2 (240.16264)


   

4-METHOXY-A-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE

4-METHOXY-A-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE

C12H17ClN2O (240.1029342)


   

tert-Butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate

tert-Butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate

C12H20N2O3 (240.147385)


   

2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate

2,6-diethyl spiro[3.3]heptane-2,6-dicarboxylate

C13H20O4 (240.136152)


   

N-(TERT-BUTYL)-3-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE

N-(TERT-BUTYL)-3-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE

C11H20N4O2 (240.15861800000002)


   

5-(4-BIPHENYLYL)PENTANOL

5-(4-BIPHENYLYL)PENTANOL

C17H20O (240.151407)


   

1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

C11H16N2O4 (240.11100159999998)


   

3-(HYDROXYIMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLICACID1,1-DIMETHYLETHYLESTER

3-(HYDROXYIMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLICACID1,1-DIMETHYLETHYLESTER

C12H20N2O3 (240.147385)


   
   

1-[2-(BENZYLOXY)-4-METHYLPHENYL]ETHANONE

1-[2-(BENZYLOXY)-4-METHYLPHENYL]ETHANONE

C16H16O2 (240.1150236)


   

4-(5-CHLOROMETHYL-OXAZOLIDIN-2-YL)-PHENYL]-DIMETHYL-AMINE

4-(5-CHLOROMETHYL-OXAZOLIDIN-2-YL)-PHENYL]-DIMETHYL-AMINE

C12H17ClN2O (240.1029342)


   

Diethyldiphenylsilane(Diphenyldiethylsilane)

Diethyldiphenylsilane(Diphenyldiethylsilane)

C16H20Si (240.13342)


   

3-methyl-3,9-diazaspiro[5.5]undecane dihydrochloride

3-methyl-3,9-diazaspiro[5.5]undecane dihydrochloride

C10H22Cl2N2 (240.1159952)


   

N,N-ethylenedi-o-toluidine

N,N-ethylenedi-o-toluidine

C16H20N2 (240.16264)


   

methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate

methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate

C13H20O4 (240.136152)


   

2-ETHYL-4-METHOXYBENZOPHENONE

2-ETHYL-4-METHOXYBENZOPHENONE

C16H16O2 (240.1150236)


   

tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate

tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate

C12H20N2O3 (240.147385)


   

5-Methoxy-α-methyltryptaminehydrochloride

5-Methoxy-α-methyltryptaminehydrochloride

C12H17ClN2O (240.1029342)


   

2-amino-N-(1-phenylethyl)benzamide

2-amino-N-(1-phenylethyl)benzamide

C15H16N2O (240.12625659999998)


   

Buterazine

Budralazine

C14H16N4 (240.13748959999998)


D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

Benzeneacetic acid, a-phenyl-, ethyl ester

Benzeneacetic acid, a-phenyl-, ethyl ester

C16H16O2 (240.1150236)


   

2-[1-(3-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

2-[1-(3-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID

C15H16N2O (240.12625659999998)


   

3-Fluoro-4-[2-(4-morpholinyl)ethoxy]phenylamine

3-Fluoro-4-[2-(4-morpholinyl)ethoxy]phenylamine

C12H17FN2O2 (240.12739940000003)


   

4-Benzyloxy-2,6-dimethylbenzaldehyde

4-Benzyloxy-2,6-dimethylbenzaldehyde

C16H16O2 (240.1150236)


   

TERT-BUTYL 6-OXO-2,7-DIAZASPIRO[4.4]NONANE-2-CARBOXYLATE

TERT-BUTYL 6-OXO-2,7-DIAZASPIRO[4.4]NONANE-2-CARBOXYLATE

C12H20N2O3 (240.147385)


   

(R)-(1-(3-CHLOROBENZYL)PIPERAZIN-2-YL)METHANOL

(R)-(1-(3-CHLOROBENZYL)PIPERAZIN-2-YL)METHANOL

C12H17ClN2O (240.1029342)


   

9-(Methoxymethyl)-9H-fluorene-9-methanol

9-(Methoxymethyl)-9H-fluorene-9-methanol

C16H16O2 (240.1150236)


   

Ronopterin

Ronopterin

C9H16N6O2 (240.13346760000002)


C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor

   

Cis-3,5-Dimethoxystilbene

Cis-3,5-Dimethoxystilbene

C16H16O2 (240.1150236)


   

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime

C15H16N2O (240.12625659999998)


ABP688 is a high affinity human mGluR5 antagonist with anKi of 1.7 nM. Radioisotope-labeled ABP688 can be used as a PET tracer for clinical imaging of the mGlu5 receptor[1].

   

N,N-Ethylenedi-m-toluidine

N,N-Ethylenedi-m-toluidine

C16H20N2 (240.16264)


   

4-propan-2-yl-N-(3-pyridinyl)benzamide

4-propan-2-yl-N-(3-pyridinyl)benzamide

C15H16N2O (240.12625659999998)


   
   

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one

C15H16N2O (240.12625659999998)


   

(S)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid

(S)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid

C11H16N2O4 (240.11100159999998)


   

Decarbamoyl-alpha-dihydrosaxitoxin

Decarbamoyl-alpha-dihydrosaxitoxin

C9H16N6O2 (240.13346760000002)


   

4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine

4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine

C16H20N2 (240.16264)


   

2-[3-(2-Cyanopropan-2-yl)-5-formylphenyl]-2-methylpropanenitrile

2-[3-(2-Cyanopropan-2-yl)-5-formylphenyl]-2-methylpropanenitrile

C15H16N2O (240.12625659999998)


   

3-Phenylpropyl benzoate

3-Phenylpropyl benzoate

C16H16O2 (240.1150236)


   

1-Propanone, 3-methoxy-1,3-diphenyl-

1-Propanone, 3-methoxy-1,3-diphenyl-

C16H16O2 (240.1150236)


   

1,9-Diethyl (2E,7E)-nona-2,7-dienedioate

1,9-Diethyl (2E,7E)-nona-2,7-dienedioate

C13H20O4 (240.136152)


   

(2R)-2-phenyl-N-pyridin-4-ylbutanamide

(2R)-2-phenyl-N-pyridin-4-ylbutanamide

C15H16N2O (240.12625659999998)


   

(12bs)-1,2,3,4,12,12b-Hexahydroindolo[2,3-A]quinolizin-7(6h)-One

(12bs)-1,2,3,4,12,12b-Hexahydroindolo[2,3-A]quinolizin-7(6h)-One

C15H16N2O (240.12625659999998)


   

Ameltolide

Ameltolide

C15H16N2O (240.12625659999998)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892

   
   

1-(6,8-Dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone

1-(6,8-Dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone

C15H16N2O (240.12625659999998)


   

(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate

(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate

C10H16N4O3 (240.12223459999998)


   
   

(2S)-2-azaniumyl-5-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoate

(2S)-2-azaniumyl-5-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoate

C10H16N4O3 (240.12223459999998)


   

(-)-2-(Tert-butylamino)-3-chloropropiophenone

(-)-2-(Tert-butylamino)-3-chloropropiophenone

C13H19ClNO+ (240.11550939999998)


D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents

   

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoic acid

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoic acid

C13H20O4 (240.136152)


   

2-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]-2H-furan-5-one

2-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]-2H-furan-5-one

C13H20O4 (240.136152)


   

N-Ethylharmine

N-Ethylharmine

C15H16N2O (240.12625659999998)


A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.

   

4-phenyl-N-(2-pyridinyl)butanamide

4-phenyl-N-(2-pyridinyl)butanamide

C15H16N2O (240.12625659999998)


   

N-(2,5-difluorophenyl)-2-(1-pyrrolidinyl)acetamide

N-(2,5-difluorophenyl)-2-(1-pyrrolidinyl)acetamide

C12H14F2N2O (240.1074138)


   

1-(p-Anisyl)-3-phenyl-2-propene-1-ol

1-(p-Anisyl)-3-phenyl-2-propene-1-ol

C16H16O2 (240.1150236)


   

Methyl tuberonate

Methyl tuberonate

C13H20O4 (240.136152)


A methyl ester derived from tuberonic acid.

   

1-(2-Naphthalenyl)hexane-1,4-dione

1-(2-Naphthalenyl)hexane-1,4-dione

C16H16O2 (240.1150236)


   

5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium-3,8-diamine

5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium-3,8-diamine

C13H12N4O (240.10110619999998)


   

[(1S)-6-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate

[(1S)-6-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate

C12H20N2O3 (240.147385)


   

6-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carboxamide

6-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carboxamide

C13H12N4O (240.10110619999998)


   

3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile

3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile

C15H16N2O (240.12625659999998)


   

1-(L-norvalin-5-yl)pyrraline

1-(L-norvalin-5-yl)pyrraline

C11H16N2O4 (240.11100159999998)


An N-substituted pyrraline formed via Maillard reaction of L-ornithine with glucose.

   

Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-

Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-

C11H16N2O4 (240.11100159999998)


   

3-Demethyl-5-methylmenaquinone

3-Demethyl-5-methylmenaquinone

C16H16O2 (240.1150236)


   
   

4-Ethylbenzyl benzoate

4-Ethylbenzyl benzoate

C16H16O2 (240.1150236)


   
   

1,4-Bis(6-methylpyridyl-3)-butane

1,4-Bis(6-methylpyridyl-3)-butane

C16H20N2 (240.16264)


   

Bis(3-methyl-3-butenyl) malonate

Bis(3-methyl-3-butenyl) malonate

C13H20O4 (240.136152)


   

Ethyl 4-[(trimethylsilyl)oxymethyl]phenyl sulfide

Ethyl 4-[(trimethylsilyl)oxymethyl]phenyl sulfide

C12H20OSSi (240.10040700000002)


   

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, TMS derivative

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, TMS derivative

C11H20N2O2Si (240.12939800000004)


   

Methyl (1S,2R,(4A)R,8S,(8A)R)-1,2,3,5,6,7,8,(8A)-octahydro-8-hydroxy-2-methylnaphthalen-4(4A)H)-one-1-carboxylate

Methyl (1S,2R,(4A)R,8S,(8A)R)-1,2,3,5,6,7,8,(8A)-octahydro-8-hydroxy-2-methylnaphthalen-4(4A)H)-one-1-carboxylate

C13H20O4 (240.136152)


   

1-Phenyl-5-methoxybicyclo(3.2.2)nona-3,6-dien-2-one

1-Phenyl-5-methoxybicyclo(3.2.2)nona-3,6-dien-2-one

C16H16O2 (240.1150236)


   

PIRBUTEROL

PIRBUTEROL

C12H20N2O3 (240.147385)


R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

   

2-Hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine

2-Hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine

C13H12N4O (240.10110619999998)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   
   

N(alpha)-gamma-L-Glutamylhistamine

N(alpha)-gamma-L-Glutamylhistamine

C10H16N4O3 (240.12223459999998)


Histamine having a gamma-L-glutamyl group attached to the side-chain nitrogen.

   
   

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid

3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid

C13H20O4 (240.136152)


A dioxo monocarboxylic acid that consists of hydrindane bearing oxo and hydroxy substituents at positions 1 and 5 respectively as well as a 2-carboxyethyl substituent at position 4 (the 3aS,4S,5R,7aS diastereomer).

   

Phenethyl phenylacetate

Phenethyl phenylacetate

C16H16O2 (240.1150236)


   
   

anserine zwitterion

anserine zwitterion

C10H16N4O3 (240.12223459999998)


Zwitterionic form of anserine.

   

N(alpha)-gamma-L-glutamylhistamine zwitterion

N(alpha)-gamma-L-glutamylhistamine zwitterion

C10H16N4O3 (240.12223459999998)


Zwitterionic form of N(alpha)-gamma-L-glutamylhistamine.

   

L-Homocarnosine

L-Homocarnosine

C10H16N4O3 (240.12223459999998)


A homocarnosine that has S configuration.

   

N-hydroxy-PHIP

N-hydroxy-PHIP

C13H12N4O (240.10110619999998)


An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP.

   

L-homocarnosine zwitterion

L-homocarnosine zwitterion

C10H16N4O3 (240.12223459999998)


A zwitterion arising from transfer of a proton from the carboxy to the amino group of L-homocarnosine; major species at pH 7.3.

   
   

Nebracetam (hydrochloride)

Nebracetam (hydrochloride)

C12H17ClN2O (240.1029342)


Nebracetam hydrochloride, a nootropic M1-muscarinic agonist, induces a rise of intracellular Ca2+ concentration. Nebracetam hydrochloride exhibits an EC50 of 1.59 mM for elevating [Ca2+]i[1].

   

tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate

tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate

C16H16O2 (240.1150236)


   

1-(2-phenylethyl)-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

1-(2-phenylethyl)-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

C15H16N2O (240.12625659999998)


   

(5e)-2-imino-5-(1h-indol-3-ylmethylidene)-3-methylimidazolidin-4-one

(5e)-2-imino-5-(1h-indol-3-ylmethylidene)-3-methylimidazolidin-4-one

C13H12N4O (240.10110619999998)


   

2-[(3s,5r)-5-hexyl-2-oxooxolan-3-yl]prop-2-enoic acid

2-[(3s,5r)-5-hexyl-2-oxooxolan-3-yl]prop-2-enoic acid

C13H20O4 (240.136152)


   

(3z,4s,5r,7r)-7-(hydroxymethyl)-3-[(2e)-pent-2-en-1-ylidene]-1,6-dioxaspiro[4.4]nonan-4-ol

(3z,4s,5r,7r)-7-(hydroxymethyl)-3-[(2e)-pent-2-en-1-ylidene]-1,6-dioxaspiro[4.4]nonan-4-ol

C13H20O4 (240.136152)


   

2-(dimethylamino)-5-(1h-indol-3-yl)imidazol-4-one

2-(dimethylamino)-5-(1h-indol-3-yl)imidazol-4-one

C13H12N4O (240.10110619999998)


   

3-methoxy-4-(3-phenylprop-2-en-1-yl)phenol

3-methoxy-4-(3-phenylprop-2-en-1-yl)phenol

C16H16O2 (240.1150236)


   

heptadeca-1,4,8,10,16-pentaen-6-yn-3-one

heptadeca-1,4,8,10,16-pentaen-6-yn-3-one

C17H20O (240.151407)


   

(1s,5s,8s)-8-hydroxy-8-[(1e)-3-hydroxybut-1-en-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one

(1s,5s,8s)-8-hydroxy-8-[(1e)-3-hydroxybut-1-en-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one

C13H20O4 (240.136152)


   

n-[(1s)-1-(acetyloxy)-octahydroindolizin-6-yl]ethanimidic acid

n-[(1s)-1-(acetyloxy)-octahydroindolizin-6-yl]ethanimidic acid

C12H20N2O3 (240.147385)


   

(5s)-5-(6-hydroxy-6-methyl-5-oxooctyl)-5h-furan-2-one

(5s)-5-(6-hydroxy-6-methyl-5-oxooctyl)-5h-furan-2-one

C13H20O4 (240.136152)


   

(2e,8z,10e)-heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol

(2e,8z,10e)-heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol

C17H20O (240.151407)


   

(4-methylidene-5-oxooxolan-3-yl)methyl 5-methylhexanoate

(4-methylidene-5-oxooxolan-3-yl)methyl 5-methylhexanoate

C13H20O4 (240.136152)


   

1-[5-(1,2-dihydroxyheptyl)furan-2-yl]ethanone

1-[5-(1,2-dihydroxyheptyl)furan-2-yl]ethanone

C13H20O4 (240.136152)


   

1-hydroxy-6-methoxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

1-hydroxy-6-methoxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

C12H20N2O3 (240.147385)


   

(2z,4e,8e,10e)-heptadeca-2,4,8,10,16-pentaen-6-ynal

(2z,4e,8e,10e)-heptadeca-2,4,8,10,16-pentaen-6-ynal

C17H20O (240.151407)


   

(3as,4r,10s,10as)-4-(hydroxymethyl)-2,6-diimino-octahydropyrrolo[1,2-c]purin-10-ol

(3as,4r,10s,10as)-4-(hydroxymethyl)-2,6-diimino-octahydropyrrolo[1,2-c]purin-10-ol

C9H16N6O2 (240.13346760000002)


   

(2r,3r)-2-(hex-5-en-1-yl)-3-[(1e,7e)-nona-1,7-dien-3,5-diyn-1-yl]oxirane

(2r,3r)-2-(hex-5-en-1-yl)-3-[(1e,7e)-nona-1,7-dien-3,5-diyn-1-yl]oxirane

C17H20O (240.151407)


   

heptadeca-2,9,16-trien-4,6-diynal

heptadeca-2,9,16-trien-4,6-diynal

C17H20O (240.151407)


   

heptadeca-7,9,15-trien-11,13-diyn-4-one

heptadeca-7,9,15-trien-11,13-diyn-4-one

C17H20O (240.151407)


   

1,4-dimethyl 2-(hex-1-en-1-yl)-3-methylbut-2-enedioate

1,4-dimethyl 2-(hex-1-en-1-yl)-3-methylbut-2-enedioate

C13H20O4 (240.136152)