Exact Mass: 203.1440682

Pebulate

N-butyl-N-ethyl(propylsulfanyl)formamide

N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine

(3-Methyl-but-2-enyl)-(7(9)H-purin-6-yl)-amine

N6-prenyladenine, also known as isopentenyladenine or ip, is a member of the class of compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. N6-prenyladenine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N6-prenyladenine can be found in a number of food items such as lime, lemon thyme, nectarine, and napa cabbage, which makes n6-prenyladenine a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 74 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance.

Tryptophanamide

Tryptophanamide monohydrochloride, (S)-isomer

Tryptophanamide is a substrate for tryptophan aminopeptidase (EC: 3.5.1.57)and is converted to L-Tryptophan via enzymatic hydrolysis. [HMDB] Tryptophanamide is a substrate for tryptophan aminopeptidase (EC: 3.5.1.57)and is converted to L-Tryptophan via enzymatic hydrolysis. KEIO_ID T054; [MS3] KO009291 KEIO_ID T054; [MS2] KO009290 KEIO_ID T054

Triacanthine

3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine

Shihunine

N-Methyl-N-phenylcyclohexanemethylamine

Benzenamine, N-(cyclohexylmethyl)-N-methyl-

9-methylthiononanaldoxime

Methyl 3-(3-indolyl)propanoate

Methyl 3-(1H-indol-3-yl)propanoate

Crotamiton

2-Butenamide, N-ethyl-N-(2-methylphenyl)-

Crotamiton is only found in individuals that have used or taken this drug. It is a scabicidal and antipruritic agent available as a cream or lotion for topical use only. It is a colorless to slightly yellowish oil, having a faint amine-like odor. It is miscible with alcohol and with methanol.Crotamiton is an antiparasitic that is toxic to the scabies mite. Crotamiton also relieves itching by producing what is called a counter-irritation. As crotamiton evaporates from the skin, it produces a cooling effect. This cooling effect helps to divert your bodys attention away from the itching. C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D016573 - Agrochemicals D010575 - Pesticides

Methsuximide

alpha-Methyl-alpha-phenyl N-methyl succinimide

Methsuximide is only found in individuals that have used or taken this drug. It is an anticonvulsant medication. It is sold by Pfizer under the name Petinutin. [Wikipedia]Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the "low-voltage activated (LVA)" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

Acetyl-L-carnitine

(3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate

L-Acetylcarnitine (Acetylcarnitine or ALC or LAC) is an acetic acid ester of carnitine that facilitates the movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. Acetylcarnitine is an endogenous compound widely distributed in many tissues, including brain. Chemically, acetylcarnitine is the acetylated derivative of the amino acid L-carnitine whose function is generally correlated with regulation of energy metabolism within mitochondria. The synthesis of acetylcarnitine is catalyzed by the enzyme carnitine acetyltransferase (CAT), which is located on the inner mitochondrial membrane as well as in endoplasmic reticulum and peroxisome. CAT promotes the transfer of an acetyl group from acetyl-Coenzyme A (acetyl-CoA) to carnitine, thereby producing acetylcarnitine and free CoA (PMID: 29267192). After being synthetized, acetylcarnitine is transported outside mitochondria into the cytosol by the enzyme carnitine/acetylcarnitine translocase (CACT). This is a crucial metabolic reaction for beta-oxidation of fatty acids whereby acetylcarnitine facilitates the transport of acetyl-CoA across mitochondrial membranes (PMID: 29267192). In addition to his metabolic role, L-acetylcarnitine possesses unique neuroprotective, neuromodulatory, and neurotrophic properties. acetylcarnitine is mobile throughout the plasma membranes and can rapidly cross blood-brain barrier. Indeed, acetylcarnitine can be transported by the high-affinity sodium-dependent organic cation/transporter (OCTN2), which is functionally expressed in cells forming the blood-brain barrier (PMID: 29267192). A wide range of mechanisms have been proposed to explain the multiplicity of acetylcarnitine activities within nervous tissues. In particular, it has been demonstrated that acetylcarnitine modulates the activity of nerve growth factor (NGF) and enhances the expression of NGF receptors in striatum/hippocampus during development (PMID: 29267192). Moreover, acetylcarnitine modulates different neurotransmitter systems, including the GABAergic, dopaminergic, and cholinergic system by increasing acetyl-CoA content and choline acetyltransferase (ChAT) activity. This may play an important role in counteracting various neurodegenerative disease processes (PMID: 15363640).

N-Lactoylleucine

(2S)-2-{[(2S)-1,2-dihydroxypropylidene]amino}-4-methylpentanoate

N-Lactoylleucine is a lactoyl derivative of phenylalanine. N-Lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid (PMID: 25964343).

Isosalsolidine

6,7-Dimethoxy-1-methylisoquinoline, 9ci

Isosalsolidine is found in herbs and spices. Isosalsolidine is a trace constituent in seeds of Nigella sativa (black cumin). Trace constituent in seeds of Nigella sativa (black cumin). Isosalsolidine is found in herbs and spices.

Lysylglycine

2-[(2S)-2,6-diaminohexanamido]acetic acid

Lysylglycine is a dipeptide composed of lysine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Glycyl-Lysine

6-Amino-2-[(2-amino-1-hydroxyethylidene)amino]hexanoate

Glycyl-Lysine is a dipeptide composed of glycine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one

Proline-derived Maillard product. Proline-derived Maillard product

OR-1855

((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile

OR-1855 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)

Methyl indole-3-propanoate

Methyl 3-(1H-indol-3-yl)propanoic acid

Methyl indole-3-propanoate, also known as methyl indole-3-propionate, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Methyl indole-3-propanoate is a catabolite of tryptophan converted by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine (PMID: 28916042).

1-Carboxyethylleucine

(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-methylpentanoic acid

1-Carboxyethylleucine belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from a reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 1-Carboxyethylleucine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.

Acetyl-D-carnitine

(3S)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate

Acetyl-D-carnitine is an acylcarnitine. More specifically, it is an acetic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Acetyl-D-carnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine Acetyl-D-carnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. In particular Acetyl-D-carnitine is elevated in the blood or plasma of individuals with very long chain acyl-CoA dehydrogenase deficiency (PMID: 9034211), colorectal cancer (PMID: 25105552), short-chain 3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939), paclitaxel induced neuropathy (PMID: 29946863), type 2 diabetes Mellitus (PMID: 28726959; PMID: 25964024, PMID: 28726959, PMID: 19369366, PMID: 24358186), chronic heart failure (PMID: 22622056), ornithine transcarbamylase (PMID: 3346778), pre-diabetes (PMID: 23010998, PMID: 24358186), type 1 diabetes mellitus (PMID: 16789638), methylmalonic acidemia (PMID: 8214594), myeloma (PMID: 30096165), and diastolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with 3-methyl-crotonyl-glycinuria (PMID: 25732994), antiviral drug induced neuropathy (PMID: 9030365, PMID: 11364244), Alzheimer Disease (PMID: 27196316), major depressive disorder (PMID: 30061399), carnitine palmitoyltransferase 2 deficiency (PMID: 20543534), Familial Mediterranean Fever (PMID: 29900937), chronic fatigue syndrome (PMID: 9854142), methylmalonic acidemia (PMID: 15164354), hepatocellular carcinoma (PMID: 26976432, PMID: 31662827), and coronary artery disease (PMID: 20173117). Acetyl-D-carnitine is elevated in the urine of individuals with colorectal cancer (25105552), uterine fibroids (32590215), heart failure (8070147), diabetes mellitus (10221661), and hepatocellular carcinoma (24923488). It is also decreased in the urine of individuals with carnitine palmitoyltransferase 2 deficiency (20543534). Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, incre...

DL-Acetylcarnitine

3-(Acetyloxy)-4-(trimethylammonio)butanoic acid

DL-Acetylcarnitine is an acylcarnitine. More specifically, it is an acetic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. DL-Acetylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine DL-Acetylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. In particular DL-Acetylcarnitine is elevated in the blood or plasma of individuals with very long chain acyl-CoA dehydrogenase deficiency (PMID: 9034211), colorectal cancer (PMID: 25105552), short-chain 3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939), paclitaxel induced neuropathy (PMID: 29946863), type 2 diabetes Mellitus (PMID: 28726959; PMID: 25964024, PMID: 28726959, PMID: 19369366, PMID: 24358186), chronic heart failure (PMID: 22622056), ornithine transcarbamylase (PMID: 3346778), pre-diabetes (PMID: 23010998, PMID: 24358186), type 1 diabetes mellitus (PMID: 16789638), methylmalonic acidemia (PMID: 8214594), myeloma (PMID: 30096165), and diastolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with 3-methyl-crotonyl-glycinuria (PMID: 25732994), antiviral drug induced neuropathy (PMID: 9030365, PMID: 11364244), Alzheimer Disease (PMID: 27196316), major depressive disorder (PMID: 30061399), carnitine palmitoyltransferase 2 deficiency (PMID: 20543534), Familial Mediterranean Fever (PMID: 29900937), chronic fatigue syndrome (PMID: 9854142), methylmalonic acidemia (PMID: 15164354), hepatocellular carcinoma (PMID: 26976432, PMID: 31662827), and coronary artery disease (PMID: 20173117). DL-Acetylcarnitine is elevated in the urine of individuals with colorectal cancer (25105552), uterine fibroids (32590215), heart failure (8070147), diabetes mellitus (10221661), and hepatocellular carcinoma (24923488). It is also decreased in the urine of individuals with carnitine palmitoyltransferase 2 deficiency (20543534). Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, incre... An acetic acid ester of carnitine that facilitates movement of acetyl CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. In addition to his metabolic role, acetyl-L-carnitine (ALC) posses unique neuroprotective, neuromodulatory, and neurotrophic properties this may play an important role in counteracting various disease processes. (PubMed ID 15363640) [HMDB] N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D018977 - Micronutrients > D014815 - Vitamins

1-Carboxyethylisoleucine

(2S,3S)-2-[(1-carboxyethyl)amino]-3-methylpentanoic acid

S-(2-(N,N-Diisopropylamino)ethyl)isothiourea

[2-(Carbamimidoylsulphanyl)ethyl]bis(propan-2-yl)amine

4-Aminoantipyrine

4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

5-Carboxamidotryptamine

3-(2-aminoethyl)-1H-indole-5-carboxamide

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists

Ciamexon

1-[(2-Methoxy-6-methyl-3-pyridinyl)methyl]-2-aziridinecarbonitril e

C308 - Immunotherapeutic Agent D007155 - Immunologic Factors

Eticyclidine

N-Ethyl-1-phenylcyclohexylamine hydrochloride

C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

Glutamic acid diethyl ester

Glutamic acid diethyl ester hydrochloride, (D)-isomer

Sumanirole

10-(methylamino)-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one

1-(Benzofuran-5-yl)-N-ethylpropan-2-amine

[1-(1-benzofuran-5-yl)propan-2-yl](ethyl)amine

Lysyl-Glycine

2-[(2,6-diamino-1-hydroxyhexylidene)amino]acetic acid

Indole-3-acetic acid ethyl ester

Ethyl 2-(1H-indol-3-yl)acetic acid

Hyacinthacine B3

1S,2R,3R,5R,7R,7aR)-3-Hydroxymethyl-5-methyl-1,2,7-trihydroxypyrrolizidine

Paniculidine C

Hyacinthacine B1

(1S,2R,3R,5R,7aR)-1,2-Dihydroxy-3,5-dihydroxymethylpyrrolizidine

Nor Securinine

(-)-Aphanorphine

(-)-8-Hydroxy-1,3-dimethyl-2,3,4,5-tetrahydro-1,4-methano-3-benzazepine

Hyacinthacine B2

(1S,2R,3R,5S,7aR)-1,2-Dihydroxy-3,5-dihydroxymethylpyrrolizidine

4-Aminoantipyrine

A pyrazolone, a member of the class of pyrazoles that is antipyrine substituted at C-4 by an amino group. It is a metabolite of aminopyrine and of metamizole. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 80 CONFIDENCE standard compound; INTERNAL_ID 8660 CONFIDENCE standard compound; EAWAG_UCHEM_ID 845

alpha-Pyrrolidinopropiophenone

1-phenyl-2-pyrrolidin-1-ylpropan-1-one

Acetyl-carnitine

1-isopropyl-5-methylindoline-2,3-dione

6-(gamma,gamma-Dimethylallylamino)purine

7-(Ethylamino)-4-methylcoumarin

2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-

CONFIDENCE standard compound; INTERNAL_ID 2493

1,3,6,6-Tetramethyl-6,7-dihydroisoquinolin-8(5H)-one

Di-Me ester-(??)-2-Aminoheptanedioic acid

SCHEMBL1864995

1-(6-methoxyquinolin-4-yl)ethanol

C13H17NO

1,2-Dihydroxy-3,5-bis(hydroxymethyl)hexahydro-1H-pyrrolizine

UNII-299A0P8472

1iPeAde

diethyl 3-aminopentanedioate

NSC276417

C10H21NO3

CHEMBL4286930

CHEMBL2385865

3,4,7-trimethylisoquinoline-6,8-diol

118964-06-0

3-(1H-Indol-3-yl)propanohydrazide

3-Isopropyl-2-methoxypyrido[2,3-b]pyrazine

Actinopolymorphol B

2-(1H-Indol-3-yl)ethyl acetate

2,6-Nonamethylene pyridine

(2Z)-N-isobutyl-2-nonene-6,8-diynamide|(Z)-non-2-en-6,8-diynoic acid isobutylamide|2-Methylpropylamide-2-Phenylethylamide-(Z)-2-Nonene-6,8-diynoic acid

2-(3H-indol-3-ylmethyl)butan-1-ol

N6-(Delta2-isopentenyl) adenine

CHEMBL298115

3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine

5-(pent-2-en-4-ynyl)-8-methylindolizidine

Ethyl 3-indoleacetate

Ethyl 2-(1H-indol-3-yl)acetate

D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

2-pentyl-1,2,3,4-tetrahydroquinoline

R-Deprenyl N-Oxide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3461 CONFIDENCE standard compound; INTERNAL_ID 2117

Crotamiton

(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide

C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8954; ORIGINAL_PRECURSOR_SCAN_NO 8953 CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8989; ORIGINAL_PRECURSOR_SCAN_NO 8988 CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9012; ORIGINAL_PRECURSOR_SCAN_NO 9011 CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9032; ORIGINAL_PRECURSOR_SCAN_NO 9030 CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9049; ORIGINAL_PRECURSOR_SCAN_NO 9047 CONFIDENCE standard compound; INTERNAL_ID 650; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9054; ORIGINAL_PRECURSOR_SCAN_NO 9053 CONFIDENCE standard compound; INTERNAL_ID 2699 CONFIDENCE standard compound; INTERNAL_ID 8580 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3200

METHSUXIMIDE

N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3285 EAWAG_UCHEM_ID 3285; CONFIDENCE standard compound

Isopentenyl-Adenine

Acquisition and generation of the data is financially supported by the Max-Planck-Society

isopentenyl-Adenine-[d6]

Acquisition and generation of the data is financially supported by the Max-Planck-Society

4-Aminoantipyrin

4-Aminoantipyrine

Annotation level-1 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 4083 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

4_Aminoantipyrine

O-Acetyl-L-carnitine

An O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids.

N6-(delta2-Isopentenyl)-adenine

6-(γ,γ-Dimethylallylamino)purine

6-(γ,γ-Dimethylallylamino)purine is a plant growth substance. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance.

6-(γ,γ-Dimethylallylamino)purine

6-(gamma,gamma-Dimethylallylamino)purine

6-(γ,γ-Dimethylallylamino)purine is a plant growth substance. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance.

3-(3-methylbut-2-enyl)purin-6-amine

NCGC00179816-02!3-(3-methylbut-2-enyl)purin-6-amine

methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate

NCGC00380813-01!methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate

5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione

CONFIDENCE standard compound; INTERNAL_ID 8024

DEP_204.1383_10.9

CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 501

3-indolebutyric acid

Indole-3-butyric acid

Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.

Isopentenyladenine

Tryptophanamide

Acetyl-D-carnitine

CONFIDENCE standard compound; INTERNAL_ID 252

1-Isopropyl-5-methyl-1H-indole-2,3-dione

http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 15

4-methyl-7-ethylaminocoumarin

CONFIDENCE standard compound; INTERNAL_ID 65

Acetylcarnitine

Acetyllcarnitine

N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D018977 - Micronutrients > D014815 - Vitamins MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RDHQFKQIGNGIED_STSL_0139_Acetylcarnitine_0031fmol_180430_S2_LC02_MS02_47; 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.

L-Acetylcarnitine

O-Acetyl-L-carnitine

L-Tryptophanamide

An amino acid amide that is the carboxamide of L-tryptophan.

N-Butylphthalimide

2-Butyl-1H-isoindole-1,3(2H)-dione

CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8533; ORIGINAL_PRECURSOR_SCAN_NO 8532 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8600; ORIGINAL_PRECURSOR_SCAN_NO 8599 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8581; ORIGINAL_PRECURSOR_SCAN_NO 8579

7-(Dimethylamino)-4-methylcoumarin

7-(Dimethylamino)-4-methyl-2-benzopyrone

CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8504; ORIGINAL_PRECURSOR_SCAN_NO 8502 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8458 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8553; ORIGINAL_PRECURSOR_SCAN_NO 8549 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8551; ORIGINAL_PRECURSOR_SCAN_NO 8548 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8517; ORIGINAL_PRECURSOR_SCAN_NO 8512 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8398; ORIGINAL_PRECURSOR_SCAN_NO 8396

Glutamic acid diethyl ester

O-Acetylcarnitine

An O-acylcarnitine having acetyl as the acyl substituent.

Ethyl 3-indoleacetic acid

Indole-3-butyric acid

Gly Lys

Lys Gly

Aminoantipyrine

4-Aminoantipyrine

Succinylmonocholine

(5S,8R)-8-methyl-5-((E)-pent-2-en-4-yn-1-yl)octahydroindolizine

L-Glutamic acid n-butyl ester

Gly-lys

2-(2,6-diaminohexanamido)acetic acid

A dipeptide formed from glycine and L-lysine residues.

Lys-gly

6-amino-2-(2-aminoacetamido)hexanoic acid

A dipeptide formed from L-lysine and glycine residues.

5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-1-pyrindin-7-one

5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one

Nigellimine

6,7-Dimethoxy-1-methylisoquinoline, 9ci

CAR 2:0

(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate

N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

9H-Purin-6-amine, N-cyclopentyl-

Ethyl 2-methyl-1H-indole-3-carboxylate

N-(8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

5-methoxy-2,3-dihydrospiro[indene-1,2-pyrrolidine]

N-BOC-D/L-NORVALINOL

5-ISOBUTYRYLOXOINDOLE

(4-methylphenyl)-piperidin-4-ylmethanone

1,1-Di-tert-butoxy-N,N-dimethylmethanamine

C11H25NO2 (203.188519)

1,1-Dibutoxy-N,N-dimethylmethanamine

C11H25NO2 (203.188519)

5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl-

1H-Pyrazolo[4,3-d]pyrimidin-7-amine,N-cyclobutyl-3-methyl-(9CI)

2,2-bis(trimethylsilyl)acetamide

C8H21NOSi2 (203.1161616)

tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate

[2-(3,4-DIMETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL

(5-METHOXY-1-METHYL-1H-INDOL-3-YL)ACETONITRILE

6-Ethoxy-2-methyl-4-quinolinol

2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-Boc-3-fluoro-4-pyrrolidinone

C9H14FNO3 (203.0957666)

1H-Indole-3-propanoicacid, hydrazide

3-(1H-indol-3-yl)-2-methylpropanoic acid

2,3-dimethyl-1H-indole-5-carbohydrazide

(3R,7AS)-3-PHENYLTETRAHYDROPYRROLO[1,2-C]OXAZOL-5(3H)-ONE

1H-Indole-3-carboxylic acid, 6-Methyl-, ethyl ester

1-(2 2 2-TRIMETHYLACETYL)-1H-BENZOTRIAZ&

4-(2-Ethyl-1-methyl-1H-imidazol-5-yl)-2-pyrimidinamine

N-BOC-D/L-VALINOL

Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate

1-(4-FLUOROBENZYL)PIPERIDIN-4-AMINE

7-METHOXY-1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE

trans-4-Aminoadamantan-1-ol hydrochloride

1-Amino-3-hydroxyadamantane hydrochloride

5-HEX-1-YNYLNICOTINIC ACID

1-Benzyl-azepan-3-one

1-(3-O-TOLYL-[1,2,4]OXADIAZOL-5-YL)-ETHYLAMINE

3,4,7-trimethyl-1h-indole-2-carboxylic acid

4-(1-PIPERAZINYL)-1H-PYRROLO[2,3-D]PYRIMIDINE

3-(1-methylindol-3-yl)propanoic acid

1-Isobutyl-1H-indole-2,3-dione

1-(3-fluorophenyl)cyclohexane-1-carbonitrile

C13H14FN (203.1110216)

1-(3-METHYLPHENYL)-4-METHYL-3-PENTENE

C8H17N3OS (203.1092272)

3-Methyl-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride

1H-Isoindole-1,3(2H)-dione,2-(1,1-dimethylethyl)-

(2-CYANOPHENYL)ACETONE

4-isopropoxybenzoylacetonitrile

1-Cyclohexyl-2-pyridin-2-yl-ethanone

Ac-L-Ser(tBu)-OH

5,6-Dihydro-2-phenyl-4,4,6-trimethyl-1,3(4H)-oxazine

C10H18FNO2 (203.13215000000002)

1-(3-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE

C8H17N3OS (203.1092272)

2-Methyl-2-propanyl (2S)-2-(fluoromethyl)-1-pyrrolidinecarboxylat e

2-(2,5-dimethylindol-1-yl)acetic acid

1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-METHYL-1H-PYRAZOL-5-AMINE

1-Benzyl-4-methyl-3-piperidinone

Boc-D-Me-Ala-OH

(1-BENZYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)METHANOL

1-butylindole-2,3-dione

4-hexoxybenzonitrile

[2-(3-ETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL

3-(2-methoxy-ethylamino)-propionic acid tert-butyl ester

3,5,7-trimethyl-1h-indole-2-carboxylic acid

Boc-N-ethylglycine

N-Boc-L-valinol

1,3,7-trimethyl-1H-indole-2-carboxylic acid

1H-Indole-3-aceticacid, 2,5-dimethyl-

1H-Pyrazol-3-amine,5-(4-ethoxyphenyl)-(9CI)

2-(tert-butoxycarbonylamino)butanoic acid

7-(propan-2-yl)-1H-indole-2-carboxylic acid

C9H17NO2S (203.09799420000002)

3-Mercapto-pyrrolidine-1-carboxylic acid tert-butyl ester

(3S)-3-(1-methylindol-3-yl)butan-1-ol

3-BUTYRYLOXYINDOLE

Carbamic acid, (3-hydroxy-1,1-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)

4-(3-phenylpropyl)piperidine

benzyl 3-methylideneazetidine-1-carboxylate

H-D-Glu-OtBu

(R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid

Boc-L-β-homoalanine

4-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]BENZENOL

1-(4-METHOXYPHENYL)-3-METHYL-1H-PYRAZOL-5-YLAMINE

2-(4-Aminophenyl)-1,5-dimethyl-pyrazol-3-one

3-METHOXY-4-(4-METHYL-1H-IMIDAZOL-1-YL)ANILINE

2,3,5,6-Tetrahydrospiro[indoline-3,4-pyran]-2-one

C8HD9N4O2 (203.13686660200003)

1,3,7-tris(trideuteriomethyl)purine-2,6-dione

4-ethyl-3,4-dihydro-2H-2-benzazepine-1,5-dione

N-Methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine

(S)-2-(1-Chloro-2-Methyl-2-propanyl)-4-isopropyl-4,5-dihydrooxazole

2-Methyl-L-aspartic acid 4-(1,1-dimethylethyl) ester

4-ethoxy-2-methylquinolin-8-ol

3,4-Dihydrospiro[chromene-2,4-piperidine]

1-Benzyl-4-azepanone

N-METHYL-N-[3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZYL]AMINE

Boc-L-2-aminobutyric acid

Boc-GABA-OH

2,3,3-trimethyl-3H-indole-5-carboxylic acid

4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid

N-METHYL-[4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PHENYL]METHYLAMINE

(R)-(4-BENZYL-MORPHOLIN-3-YL)-ACETICACIDMETHYLESTER

2-TERT-BUTYL-PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE

2-(5-AMINO-3-PHENYL-1H-PYRAZOL-1-YL)ETHANOL

Methyl 2,3-dimethyl-1H-indole-5-carboxylate

1-propyl-1H-indole-3-carboxylic acid

2-(3,5-DIMETHYL-PHENYL)-AZEPANE

9H-Purine,6-(1-piperidinyl)-

3-(3-Methyl-1H-indol-1-yl)propanoic acid

4-Amino-2-(1-piperidinyl)pyrimidine-5-carbonitrile

N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N1-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

UNII:4956DJR58O

Mecamylamine hydrochloride

C11H22ClN (203.1440682)

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist Mecamylamine hydrochloride is an orally active, nonselective, noncompetitive nAChR antagonist. Mecamylamine hydrochloride is also a ganglionic blocker. Mecamylamine hydrochloride can across the blood-brain barrier. Mecamylamine hydrochloride can be used in the research of neuropsychiatric disorders, hypertension, antidepressant area[1][2][5].

4-hydrazino-6-methoxy-2-methylquinoline

2-ethoxyquinoline

CHEMBRDG-BB 6635463

Benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate

2-(5-ethyl-1H-indol-3-yl)acetic acid

(2S,4E)-5-Chloro-N,N-dimethyl-2-(1-methylethyl)-4-pentenamide

N,N-Bis(trimethylsilyl)acetamide

C8H21NOSi2 (203.1161616)

Boc-D-Abu-OH

3-((tert-Butoxycarbonyl)amino)butanoic acid

Boc-DL-3-Aminoisobutyric acid

1-benzyl-2-methylpiperidin-4-one

(S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine

3-Methyl-2-carbethoxyindole

3H-SPIRO[AZEPANE-4,1-ISOBENZOFURAN]

2-(4-(Pentyloxy)phenyl)acetonitrile

(1R,3S)-4-Amino-1-adamantanol hydrochloride (1:1)

1-BENZOYL-PIPERIDIN-3-ONE

3-[2-(Dimethylamino)ethyl]-1H-indol-5-amine

1H-Pyrazol-3-amine,5-(3-ethoxyphenyl)-(9CI)

3-(4-DIMETHYLAMINO-PHENYL)-ISOXAZOL-5-YLAMINE

1,3-DIHYDRO-4-(2-HYDROXYPHENYL)-2H-1,5-BENZODIAZEPIN-2-ONE

6-ISOPROPYLINDOLE-3-CARBOXALDEHYDE

3-Amino-4-morpholinobenzonitrile

ethyl 3-(4-cyanophenyl)propanoate

2-CYCLOHEXYL-2-NITRO-1,3-PROPANEDIOL

Triethylmethylammonium Tetrafluoroborate

C7H18BF4N (203.1468346)

H-Glu(OtBu)-OH

4-((e)-3-phenyl-allyl)-morpholine

N,N-diethyl-4-phenylbut-3-en-1-amine

2-(2-METHOXY-BENZYL)-2H-PYRAZOL-3-YLAMINE

CHEMBRDG-BB 4006080

3-AMINO-2-ISOPROPYL-4(3 H)-QUINAZOLINONE

1-(3-chloropropanoyl)-3,5-dimethylpiperidine

4-isocyanato-4-phenyloxane

C10H18FNO2 (203.13215000000002)

tert-butyl 4-fluoropiperidine-1-carboxylate

N-Boc-glycine Ethyl Ester

(R)-3-(tert-Butoxycarbonylamino)butanoic acid

Boc-D-Alanine Methyl Ester

1-(4-Fluorophenyl)cyclohexanecarbonitrile

C13H14FN (203.1110216)

1-(2-FLUOROPHENYL)CYCLOHEXANECARBONITRILE

C13H14FN (203.1110216)

1,2-Benzenediol,4-[2-(1H-pyrrol-1-yl)ethyl]- (9CI)

4-(PIPERAZIN-1-YL)BENZO[D]OXAZOLE

3,5-DIMETHYL-4-METHOXYBENZOYLACETONITRILE

N,N-dimethyl-1-phenylcyclohexan-1-amine

3-PIPERAZIN-1-YL-1,2-BENZISOXAZOLE

1H-Indole-2-carboxylicacid, 1-methyl-, ethyl ester

Cyclopropanamine, 1-[3-(tetrahydro-2-furanyl)phenyl]

Cyclopropanamine, 1-[3-(tetrahydro-3-furanyl)phenyl]

1H-Pyrrolo[2,3-b]pyridine-3-methanamine,6-ethyl-N,N-dimethyl-(9CI)

3H-SPIRO[1-BENZOFURAN-2,4-(1-METHYLPIPERIDINE)]

TERT-BUTYL3-HYDROXY-2,2-DIMETHYLPROPYLCARBAMATE

CHEMBRDG-BB 4003937

8-Quinolinol,5-(ethoxymethyl)-

Ethyl 3-methyl-1H-indole-2-carboxylate

n-methyl[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methylamine

(3R-CIS)-(-)-3-PHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE

(5S)-5,6-DIHYDRO-6,6-DIMETHYL-5-PHENYL-2H-1,4-OXAZIN-2-ONE

3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine

3-(2-methylindol-1-yl)propanoic acid

3-(2-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine

Feprosidnine

8-Ethoxy-5,7-quinolinediamine

1H-1,2,3-Triazole,5-ethoxy-4-methyl-1-phenyl-(7CI)

1-methyl-7-pyridin-3-yl-1,7-diazaspiro[3.4]octane

3-(3-(DIMETHYLAMINO)PHENYL)ISOXAZOL-5-AMINE

ethyl 3,4-dihydroisoquinoline-1-carboxylate

SPIRO[PIPERIDINE-4,3-PYRROLO[2,3-B]PYRIDIN]-2(1H)-ONE

1H-Indole-7-carboxylic acid, 4-Methyl-, ethyl ester

(S)-(-)-2-(a-(i-butyl)methanamine)-1H-benzimidazole, min. 98 (S)-i-Bu-BIMAH

1-(1-BENZYL-PYRROLIDIN-3-YL)-ETHANON

3-tert-butyl-5-cyanobenzoic acid

1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile

1-BENZYL-PIPERIDINE-2,3-DIONE

ethyl 3-methyl-1H-indole-5-carboxylate

N-benzyl-1-cyclohexylmethanamine

METHYLTHIOPHENE-3-ACETATE

N,O-Bis(trimethylsilyl)acetamide

C8H21NOSi2 (203.1161616)

5-((BENZYLOXY)METHYL)-1H-PYRAZOL-3-AMINE

4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZALDEHYDE OXIME

2-(3alpha-Propan-2-yl-3-indolyl)ethanol

3H-SPIRO[ISOBENZOFURAN-1,3-PIPERIDIN]-3-ONE

4-(1-Pyrrolidinylcarbonyl)benzaldehyde

1H-Isoindole-1,3(2H)-dione,2-(1-methylpropyl)-

3-Ethyl-5-methyl-1H-indole-2-carboxylic acid

CHEMBRDG-BB 5378484

C6H13N5O3 (203.1018348)

AKOS B021210

C9H18ClN3 (203.1189178)

tert-Butyl (3-hydrazino-3-oxopropyl)carbamate

3-tert-Butoxycarbonylamino-2-methyl-propionic acid

ANTI-7-HYDROXY-2-BENZYL-2-AZABICYCLO2.2.1HEPTANE

tert-Butyl [(3Z)-3-amino-3-(hydroxyimino)propyl]-carbamate

(3-TERT-BUTYL-1-METHYL-1H-PYRAZOL-5-YL)METHANAMINEHYDROCHLORIDE

C9H18ClN3 (203.1189178)

4-Piperidinoacetophenone

4-(piperidin-1-ylmethyl)benzaldehyde

2-(1H-Indol-3-yl)-2-methylpropanoic acid

C9H17NO2S (203.09799420000002)

Lethane 384

([3-(4-methoxyphenyl)-1h-pyrazol-4-yl]methyl)amine

2-Piperazin-1-yl-benzooxazole

1-(HEX-1-YNYL)-4-NITROBENZENE

4-Octyl-3-thiosemicarbazide

6,8-DIMETHOXY-4-METHYLQUINOLINE

3-(PIPERIDINOMETHYL)BENZALDEHYDE

N-(tert-Butoxycarbonyl)-N-methyl-β-alanine

Ethyl 2-(1H-indol-2-yl)acetate

1-(3-M-TOLYL-[1,2,4]OXADIAZOL-5-YL)-ETHYLAMINE

N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine

benzyl N-[(1E)-buta-1,3-dienyl]carbamate

(2-HYDROXYPHENYL)(ISOXAZOL-4-YL)METHANONE

(2R)-4-(1H-Indol-3-yl)-2-methyl-1-butanol

3-Benzyl-8-oxa-3-azabicyclo[3.2.1]octane

Boc-N-Me-Ala-OH

2-Ethoxy-4-(2-methyl-2-propanyl)benzonitrile

Quinoline, 5,6-dimethoxy-2-methyl- (9CI)

OR-1855

(R)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents

4-(2,2-Diethoxyethyl)morpholine

2,6-di-iso-propylphenyl isocyanate

1-Benzyl-2,6-piperidinedione

1-(4-methoxybenzyl)-1H-pyrazol-5-amine

N-ME-ASP(OTBU)-OH

Boc-Ala-Ome

ETHYL2-(2-(DIETHYLAMINO)ETHYL)-3-OXOBUTANOATE

Benzenamine, 3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)- (9CI)

2-{[(FURAN-2-YLMETHYL)-AMINO]-METHYL}-PHENOL

1-Oxa-6-azaspiro[2.5]octane,6-(phenylmethyl)-

C10H25NOSi (203.17053199999998)

2-AMINO-1-(BUTYLDIMETHYLSILOXY)BUTANE

1-Benzyl-3,5-piperidinedione

1H-Azepine,2-(4-ethylphenyl)hexahydro-(9CI)

diethyl glutamate

2-(2-ethylphenyl)azepane

N-METHYL-N-[4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZYL]AMINE

4-(Piperazin-1-yl)furo[3,2-c]pyridine

5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamine

1-Phenyl-3-(1-pyrrolidinyl)-1-propanone

Boc-Aib-OH

4-(2-p-Tolyl-ethyl)-piperidine

5-(boc-amino)-1-pentanol

trans-4-(Diethylamino)cinnamaldehyde

(8-methoxy-2-methylquinolin-4-yl)hydrazine

3,4-dihydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester

(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate

(S)-N-tert-butoxycarbonyl-N-methyl-2-amino-propionic acid

(3R)-(-)-3-(1-Methyl-1H-Indol-3-yl)-1-Butanol

2(1H)-Quinoxalinone,1-ethyl-3-(methylamino)-(9CI)

2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethan-1-amine

(E)-2-(7-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethan-1-amine

trans-tert-butyl 4-hydroxytetrahydrofuran-3-ylcarbaMate

N-(1-Methylethyl)-N-(phenylmethyl)-2-propenamide

1-ISOPROPYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBALDEHYDE

1-[(3-methoxyphenyl)methyl]pyrazol-4-amine

N-Boc-N-methylglycine methyl ester

TERT-BUTYL (2-HYDRAZINYL-2-OXOETHYL)(METHYL)CARBAMATE

1H-Pyrazol-3-amine,5-(2-ethoxyphenyl)-(9CI)

4-amino-3-(tert-butylamino)-2-methylbenzonitrile

6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

1-Benzylpiperidine-4-carbaldehyde

1-Phenethyl-4-piperidone

3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine

4-Morpholineacetonitrile,α-3-pyridinyl-

2-METHYL-4-PIPERIDIN-1-YL-BENZALDEHYDE

5-Amino-2-morpholinobenzonitrile

Boc-(R)-3-Amino-2-methylpropanoic acid

H-Glu-OtBu

D-Glutamic acid, 5-(1,1-dimethylethyl) ester

7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline

1H-Inden-1-one,2-amino-2,3-dihydro-4,5,6,7-tetramethyl-(9CI)

N1-Boc-2,2-iminodiethylamine

C9H21N3O2 (203.1633686)

2,6-DICHLORO-4-NITROANISOLE

Sumanirole

(R)-5-(METHYLAMINO)-5,6-DIHYDRO-1H-IMIDAZO[4,5,1-IJ]QUINOLIN-2(4H)-ONE

C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist

3-(N-Cyanoethyl)aminoacetanilide

(3S,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate

4-Benzylaminocyclohexanone

(2R,4R)-2-AMINO-4-BUTYL-PENTANEDIOIC ACID

1-Benzyl-3-methyl-4-piperidinone

2-(3,4-Dimethylphenyl)azepane

4-Amino-1-adamantanol hydrochloride (1:1)

N-Boc-D-Valinol

5-(tert-Butyl)-2-ethylbenzoxazole

Spiro[isochroman-1,4-piperidine]

(7-methoxy-4-methylquinolin-2-yl)hydrazine

3-methoxy-2-methyl-5-(1-methylpyrazol-4-yl)pyridine

Dexmecamylamine hydrochloride

C11H22ClN (203.1440682)

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist

Diethyl 2-aminopentanedioate

D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

S-(2-(N,N-Diisopropylamino)ethyl)isothiourea

Glycyllysine

3-(Methoxycarbonylamino)-2,2,3-trimethylbutanoic acid

Glycyl-isolysine

Benzenamine, N-(cyclohexylmethyl)-N-methyl-

C8H17NO3Si (203.09776519999997)

1H-Indole, 3-methyl-1-(trimethylsilyl)-

C12H17NSi (203.1130202)

Glycine, N-(1-oxopropyl)-, trimethylsilyl ester

1H-Indole, 2-methyl-1-(trimethylsilyl)-

C12H17NSi (203.1130202)

7-Methyl-1-(trimethylsilyl)-1H-indole

C12H17NSi (203.1130202)

N-(ethoxycarbonyl)-L-leucine

2-(Acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester

N6-dimethylallyladenine

6-(γ,γ-Dimethylallylamino)purine

N-(3-methylbut-2-en-1-yl)-9h-purin-6-amine, also known as isopentenyladenine or ip, is a member of the class of compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. N-(3-methylbut-2-en-1-yl)-9h-purin-6-amine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-(3-methylbut-2-en-1-yl)-9h-purin-6-amine can be found in a number of food items such as sorghum, green zucchini, enokitake, and star fruit, which makes N-(3-methylbut-2-en-1-yl)-9h-purin-6-amine a potential biomarker for the consumption of these food products. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance.

N-(3-methylbut-2-enyl)-3,5-dihydropurin-6-imine

9-(Methylsulfanyl)nonanal oxime

1-(2-Phenylpropan-2-yl)piperidine

N(omega),N(omega)-dimethyl-L-argininium

C8H19N4O2+ (203.1507934)

N(alpha)-acetyl-L-lysine methyl ester(1+)

C9H19N2O3+ (203.1395604)

(2S)-2-Amino-8-hydroxydecanoic acid

[amino-[[(4S)-4-amino-4-carboxybutyl]amino]methylidene]-dimethylazanium

C8H19N4O2+ (203.1507934)

(2S,3R,4S,5R,6R)-6-methyl-4-(prop-1-en-2-ylamino)oxane-2,3,5-triol

(2S,8R)-2-amino-8-hydroxydecanoic acid

1-Carboxyethylleucine

3-methyl-N-(2-phenylethyl)-2-butenamide

L-Leucine, trimethylsilyl ester

l-Isoleucine, trimethylsilyl ester

3-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine

N(omega)-nitroso-L-arginine

C6H13N5O3 (203.1018348)

(2S)-2-azaniumyl-5-[[methylamino(methylazaniumylidene)methyl]amino]pentanoate

C8H19N4O2+ (203.1507934)

Glutamic acid butyl ester

Methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate

N(epsilon)-carbamoylmethyllysine

2-[(2R,5S,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester

2-[(2R,5R,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester

2-[(2R,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester

beta-Alanyl-ornithine

(3R)-3-[(2,2,2-2H3)acetyloxy]-4-(trimethylazaniumyl)butanoate

N-[(4-aminophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

1-Acetyl-3-(6-methyl-3-pyridyl)-pyrazoline

4-(Dimethylamino)butyric acid, TMS derivative

N-[2-Methyl-1-(trimethylsilyloxy)propan-2-yl]acetamide

N-(1,3-dihydroxyoctan-2-yl)acetamide

5-(2-Cyclohexylethyl)-2-methylpyridine

1-Acetyl-4-methyl-3-(2-pyridyl)-2-pyrazoline

PEBULATE

VERNOLATE

N(6)-dimethylallyladenine

N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine

A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance. 6-(γ,γ-Dimethylallylamino)purine is a plant growth substance.

Acetyl-L-carnitine

O-Acetyl-L-carnitine

N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D018977 - Micronutrients > D014815 - Vitamins Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

5-carboxamidotryptamine

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists

Lysylglycine

O-acetyl-D-carnitine

An O-acyl-D-carnitine in which the acyl group specified is acetyl.

lysyl-glycine

N-Lactoyl-leucine

(R)-3-hydroxydecanoyl-ACP

C10H19O2S (203.1105694)

N(6)-glycyl-L-lysine

A L-lysine derivative with a glycyl group at the N(6)-position.

N(omega),N(omega)-dimethyl-L-argininium(1+)

C8H19N4O2 (203.1507934)

An alpha-amino-acid cation that is the conjugate acid of N(omega),N(omega)-dimethyl-L-arginine, arising from deprotonation of the carboxy group and protonation of the primary amino and imino groups; major species at pH 7.3.

NA-Ser 6:0

NA-Thr 5:0

Carboxyethylisoleucine

Carboxyethylleucine

N-Lactoyl isoleucine

N-Lactoyl leucine

Methylthiononanaldoxime

ALDH1A3-IN-2

ALDH1A3-IN-2 (Compound 15) is a potent inhibitor of ALDH1A3 with an IC50 of 1.29 μM. Aldehyde dehydrogenases (ALDHs) are overexpressed in various tumor types including prostate cancer. ALDH1A3-IN-2 has the potential for the research of cancer diseases[1].

Valiloxibic acid

Valiloxibic acid is a proagent of γ-Hydroxybutyric acid (GHB).GHB is a naturally occurring neurotransmitter and a psychoactive agent, it acts on the GHB receptor and is a weak agonist at the GABAB receptor[1].

2-(3-methylbut-3-en-1-yl)-3h-purin-6-amine

9-(3-methylbut-2-en-1-yl)purin-6-amine

(1s,2s,3r,5r,7s,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2,7-triol

3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2,7-triol

(1r,2r,3r,5r,7ar)-3,5-bis(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

(1s,2r,3r,5s,7r,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2,7-triol

(1s,9s)-1,10-dimethyl-10-azatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-4-ol

2,6-Nonamethylene pyridine

2,6-nonamethylene pyridine; AC1NSZ5U; 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene