Exact Mass: 259.204837

Exact Mass Matches: 259.204837

Found 252 metabolites which its exact mass value is equals to given mass value 259.204837, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Primaquine

8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline

C15H21N3O (259.1684536)


An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404) P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1600 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3009

   

Propranolol

[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine

C16H21NO2 (259.1572206)


Propranolol is a widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. A widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. [HMDB] C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 171 KEIO_ID P192; [MS2] KO009171 KEIO_ID P192 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

HQNO

2-Heptyl-4-hydroxyquinoline N-oxide

C16H21NO2 (259.1572206)


HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].

   

2-Heptyl-3-hydroxy-quinolone

2-Heptyl-3-hydroxy-4(1H)-quinolone

C16H21NO2 (259.1572206)


   

4Z,7Z,10Z-Octadecatrienenitrile

4Z,7Z,10Z-Octadecatrienenitrile

C18H29N (259.2299874)


   
   

Norbutorphanol

(1S,9R,10S)-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-triene-4,10-diol

C16H21NO2 (259.1572206)


Norbutorphanol belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

   

Hexanoylcarnitine

Hexanoylcarnitine

C13H25NO4 (259.178349)


   

Norchalciporyl propionate

(5Z)-6-(2-Methyl-2H-azepin-7-yl)hexa-3,5-dien-1-yl propanoic acid

C16H21NO2 (259.1572206)


Norchalciporyl propionate is found in mushrooms. Norchalciporyl propionate is a pungent principle from fruit-bodies of the edible mushroom (Chalciporus piperatus

   

Isoleucyl-Lysine

6-Amino-2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]hexanoate

C12H25N3O3 (259.189582)


Isoleucyl-Lysine is a dipeptide composed of isoleucine 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.

   

Lysylisoleucine

(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanoic acid

C12H25N3O3 (259.189582)


Lysylisoleucine is a dipeptide composed of lysine and isoleucine. 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.

   

Hexanoylcarnitine

L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt

C13H25NO4 (259.1783582)


Hexanoylcarnitine (CAS: 6418-78-6), also known as caproylcarnitine, is an acylcarnitine. Acylcarnitines are the product of the conjugation of carnitine with acyl-coenzyme A, that allows the transport of fatty acids across mitochondrial membranes. Long or medium chain fatty acids are then oxidized in the mitochondria for energy production. The ionic nature of L-carnitine causes high water solubility which decreases with increasing chain lengths of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined not only by their function but also by their physicochemical properties. Hexanoylcarnitine is a medium-chain acylcarnitine present in the urine of patients with medium-chain acyl-CoA dehydrogenase deficiency (PMID: 1635814). Hexanoylcarnitine is also found to be associated with celiac disease and glutaric aciduria II which are both inborn errors of metabolism. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism, which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. High-performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.). L-Hexanoylcarnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physico-chemical properties as well. High performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile. (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.) L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   

Ramelteon

(S)-N-(2-(1,6,7,8-Tetrahydro-2H-indeno-(5,4)furan-8-yl)ethyl)propionamide

C16H21NO2 (259.1572206)


Ramelteon is the first in a new class of sleep agents that selectively binds to the melatonin receptors in the suprachiasmatic nucleus (SCN). It is used for insomnia, particularly delayed sleep onset. Ramelteon has not been shown to produce dependence and has shown no potential for abuse. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Leucyl-Lysine

6-Amino-2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]hexanoate

C12H25N3O3 (259.189582)


Leucyl-Lysine is a dipeptide composed of leucine 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.

   

Lysylleucine

(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanoic acid

C12H25N3O3 (259.189582)


Lysylleucine is a dipeptide composed of lysine and leucine. 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.

   

4-Methylpentanoylcarnitine

3-[(4-methylpentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


4-Methylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-methylpentanoic 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. 4-Methylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Methylpentanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

3-Methylpentanoylcarnitine

3-[(3-methylpentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


3-Methylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylpentanoic 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. 3-Methylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Methylpentanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

(-)-Vesamicol

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C17H25NO (259.193604)


   

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

C17H25NO (259.193604)


   

4-Phenyl-4-piperidinocyclohexanol

4-Phenyl-4-piperidinocyclohexanol, (trans)-isomer

C17H25NO (259.193604)


   

Eperisone

1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one

C17H25NO (259.193604)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Nortilidine

Ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylic acid

C16H21NO2 (259.1572206)


   
   

3alpha-Phenylacetoxytropane

3alpha-Phenylacetoxytropane

C16H21NO2 (259.1572206)


   
   
   

12-pyridin-2-yldodeca-6,8-dien-2-ol

12-pyridin-2-yldodeca-6,8-dien-2-ol

C17H25NO (259.193604)


   

Pyo II

2-n-Heptyl-4-hydroxyquinoline N-oxide

C16H21NO2 (259.1572206)


HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].

   
   

PQS

2-Heptyl-3-hydroxyl-4(1H)-quinolone

C16H21NO2 (259.1572206)


   

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

C17H25NO (259.193604)


   

4-Phenyl-4-piperidinocyclohexanol

4-Phenyl-4-piperidinocyclohexanol

C17H25NO (259.193604)


   

alpha-pyrrolidinoheptaphenone

alpha-pyrrolidinoheptaphenone

C17H25NO (259.193604)


   

vesamicol

vesamicol

C17H25NO (259.193604)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents (-)-Vesamicol (AH5183) is an inhibitor of acetylcholine transport into synaptic vesicles, with the IC50 of 75 nM[1]. (-)-Vesamicol can be used for release and recycling of synaptic vesicles study[1]. (-)-Vesamicol (AH5183) is an inhibitor of acetylcholine transport into synaptic vesicles, with the IC50 of 75 nM[1]. (-)-Vesamicol can be used for release and recycling of synaptic vesicles study[1].

   

phenylacetoxytropane

phenylacetoxytropane

C16H21NO2 (259.1572206)


   
   
   
   

undeca-2Z-en-8,10-diynoic acid 2-methylbutylamide

undeca-2Z-en-8,10-diynoic acid 2-methylbutylamide

C17H25NO (259.193604)


   

1-Methyl-8-methoxy-2-pentylquinolin-4(1H)-one

1-Methyl-8-methoxy-2-pentylquinolin-4(1H)-one

C16H21NO2 (259.1572206)


   

(+)-lycopladine A|lycopladine A

(+)-lycopladine A|lycopladine A

C16H21NO2 (259.1572206)


   
   

(+)-grandisine D|(5S)-6-((S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-enone|grandisine D

(+)-grandisine D|(5S)-6-((S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-enone|grandisine D

C16H21NO2 (259.1572206)


   
   
   

Haminol 3|Haminol-3

Haminol 3|Haminol-3

C17H25NO (259.193604)


   
   
   
   
   

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylacetamide

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylacetamide

C16H21NO2 (259.1572206)


   

(-)-histrionicotoxin 259A|(?)-histrionicotoxin 259A|histrionicotoxin 259

(-)-histrionicotoxin 259A|(?)-histrionicotoxin 259A|histrionicotoxin 259

C17H25NO (259.193604)


   

dodeca-4-keto-2E-ene-8,10-diynoic acid isobutylamide

dodeca-4-keto-2E-ene-8,10-diynoic acid isobutylamide

C16H21NO2 (259.1572206)


   

Pseudoepiisoelaeocarpiline

Pseudoepiisoelaeocarpiline

C16H21NO2 (259.1572206)


   

Dhydrodarlingianine|Dihydrodarlingianin

Dhydrodarlingianine|Dihydrodarlingianin

C17H25NO (259.193604)


   

(7Z)-N-(isobutyl)-7-tridecene-10,12-diynamide

(7Z)-N-(isobutyl)-7-tridecene-10,12-diynamide

C17H25NO (259.193604)


   

propranolol

propranolol

C16H21NO2 (259.1572206)


A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7445; ORIGINAL_PRECURSOR_SCAN_NO 7444 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7453; ORIGINAL_PRECURSOR_SCAN_NO 7452 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7469 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7478; ORIGINAL_PRECURSOR_SCAN_NO 7476 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7485; ORIGINAL_PRECURSOR_SCAN_NO 7484 CONFIDENCE standard compound; INTERNAL_ID 1108 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 61 CONFIDENCE standard compound; INTERNAL_ID 8556 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

PRIMAQUINE

PRIMAQUINE

C15H21N3O (259.1684536)


P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent [Raw Data] CB203_Primaquine_pos_50eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_40eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_30eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_20eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_10eV_CB000073.txt

   

Ramelteon

N-{2-[(8S)-1H,2H,6H,7H,8H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

C16H21NO2 (259.1572206)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Hexanoylcarnitine

Hexanoylcarnitine

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   
   

2-nonylquinoline-3,4-diol:Series 3 HAQ C9

2-nonylquinoline-3,4-diol:Series 3 HAQ C9

C16H21NO2 (259.1572206)


   

Hexanoyl-L-carnitine

Hexanoyl-L-carnitine

C13H25NO4 (259.178349)


CONFIDENCE standard compound; INTERNAL_ID 255

   

C9DEA

N,N-bis(2-hydroxyethyl)decan-1-amide

C14H29NO3 (259.2147324)


Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); May be an alkyl homologue; Digitised from figure: approximate intensities

   

Pseudomonas quinolone signal

Pseudomonas quinolone signal

C16H21NO2 (259.1572206)


   

Hexanoyl-carnitine; AIF; CE0; CorrDec

Hexanoyl-carnitine; AIF; CE0; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE10; CorrDec

Hexanoyl-carnitine; AIF; CE10; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE30; CorrDec

Hexanoyl-carnitine; AIF; CE30; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE0; MS2Dec

Hexanoyl-carnitine; AIF; CE0; MS2Dec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE10; MS2Dec

Hexanoyl-carnitine; AIF; CE10; MS2Dec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE30; MS2Dec

Hexanoyl-carnitine; AIF; CE30; MS2Dec

C13H25NO4 (259.178349)


   

2-heptyl-3-hydroxy 4-quinolone

2-Heptyl-3-hydroxy-4(1H)-quinolinone

C16H21NO2 (259.1572206)


   
   
   
   
   

(2S,6R,7S,8S)-2-allyl-7-((E)-but-1-en-3-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-2-allyl-7-((E)-but-1-en-3-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

C17H25NO (259.193604)


   

(5R,8aR)-8-methyl-5-((E)-non-6-en-8-yn-1-yl)octahydroindolizine

(5R,8aR)-8-methyl-5-((E)-non-6-en-8-yn-1-yl)octahydroindolizine

C18H29N (259.2299874)


   

(5R,6R,8R,8aR)-6,8-dimethyl-5-((E)-oct-5-en-7-yn-1-yl)octahydroindolizine

(5R,6R,8R,8aR)-6,8-dimethyl-5-((E)-oct-5-en-7-yn-1-yl)octahydroindolizine

C18H29N (259.2299874)


   

L-Glutamic acid dibutyl ester

L-Glutamic acid dibutyl ester

C13H25NO4 (259.178349)


   

Hexanoate

L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   

O-hexanoyl-R-carnitine

O-hexanoyl-R-carnitine

C13H25NO4 (259.178349)


   

(±)-Hexanoylcarnitine

(±)-Hexanoylcarnitine

C13H25NO4 (259.178349)


   

Ile-lys

2-(2,6-diaminohexanamido)-3-methylpentanoic acid

C12H25N3O3 (259.189582)


   

Leu-lys

2-(2,6-diaminohexanamido)-4-methylpentanoic acid

C12H25N3O3 (259.189582)


A dipeptide composed of L-leucine and L-lysine joined by a peptide linkage.

   

Lys-ile

6-amino-2-(2-amino-3-methylpentanamido)hexanoic acid

C12H25N3O3 (259.189582)


A dipeptide formed from L-lysine and L-isoleucine residues.

   

Lys-leu

6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid

C12H25N3O3 (259.189582)


A dipeptide formed from L-lysine and L-leucine residues.

   

Norchalciporyl propionate

(3E,5Z)-6-(2-methyl-2H-azepin-7-yl)hexa-3,5-dien-1-yl propanoate

C16H21NO2 (259.1572206)


   

Norbutorphanol

(1S,9R,10S)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4,10-diol

C16H21NO2 (259.1572206)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

4-Methyl-α-pyrrolidinohexanophenone

4-Methyl-α-pyrrolidinohexanophenone

C17H25NO (259.193604)


   

CAR 6:0

3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


   

NA 17:5

N-isobutyl-7Z-tridecene-10,12-diynamide

C17H25NO (259.193604)


   

SPH id15:0

iso (13-methyl-d14:0) sphinganine

C15H33NO2 (259.2511158)


   

1-(1-benzylpiperidin-4-yl)piperazine

1-(1-benzylpiperidin-4-yl)piperazine

C16H25N3 (259.204837)


   

2-(2-BENZOFURANYL)-4-TERT-BUTYL-MORPHOLINE

2-(2-BENZOFURANYL)-4-TERT-BUTYL-MORPHOLINE

C16H21NO2 (259.1572206)


   

(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoic acid

(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoic acid

C13H25NO4 (259.178349)


   

Nortilidine

3-Cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-

C16H21NO2 (259.1572206)


   

tert-butyl 3-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 3-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

C13H25NO4 (259.178349)


   

1-methyl-N,N,N-tris(1-methylpropyl)silanetriamine

1-methyl-N,N,N-tris(1-methylpropyl)silanetriamine

C13H33N3Si (259.2443618)


   

4-DECYLOXY-BENZONITRILE

4-DECYLOXY-BENZONITRILE

C17H25NO (259.193604)


   

1-(2-METHYL-1,3-THIAZOL-4-YL)ETHANONE

1-(2-METHYL-1,3-THIAZOL-4-YL)ETHANONE

C14H26ClNO (259.1702816)


   

Boc-Dipropylglycine

Boc-Dipropylglycine

C13H25NO4 (259.178349)


   

tert-butyl 4-(2-hydroxyethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxyethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

C13H25NO4 (259.178349)


   

1-Piperidinecarboxylic acid, 4-hydroxy-4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 4-hydroxy-4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester

C13H25NO4 (259.178349)


   

Ethyl 3-benzyl-2-cyano-3-methylpentanoate

Ethyl 3-benzyl-2-cyano-3-methylpentanoate

C16H21NO2 (259.1572206)


   

4-(PENTAMETHYLBENZOYL)PIPERIDINE

4-(PENTAMETHYLBENZOYL)PIPERIDINE

C17H25NO (259.193604)


   

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

C15H22BNO2 (259.1743502)


   

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

C15H22BNO2 (259.1743502)


   

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline

C15H22BNO2 (259.1743502)


   
   

2-methyloxirane,oxirane,prop-2-enenitrile,styrene

2-methyloxirane,oxirane,prop-2-enenitrile,styrene

C16H21NO2 (259.1572206)


   

Benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate

Benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate

C16H21NO2 (259.1572206)


   

trans-4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile

trans-4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile

C16H21NO2 (259.1572206)


   

4-(Benzylpiperazine-4-yl)piperidine dihydrochloride

4-(Benzylpiperazine-4-yl)piperidine dihydrochloride

C16H25N3 (259.204837)


   

tert-butyl N-[1-hydroxy-3-(oxan-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-3-(oxan-3-yl)propan-2-yl]carbamate

C13H25NO4 (259.178349)


   

4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

C16H21NO2 (259.1572206)


   

1-piperidin-4-yl-3-propylbenzimidazol-2-one

1-piperidin-4-yl-3-propylbenzimidazol-2-one

C15H21N3O (259.1684536)


   

TERT-BUTYL ((2S,4R)-1-HYDROXY-4-(HYDROXYMETHYL)HEPT-6-EN-2-YL)CARBAMATE

TERT-BUTYL ((2S,4R)-1-HYDROXY-4-(HYDROXYMETHYL)HEPT-6-EN-2-YL)CARBAMATE

C13H25NO4 (259.178349)


   
   

3-indoxyl caprylate

3-indoxyl caprylate

C16H21NO2 (259.1572206)


   

tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate

tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate

C13H25NO4 (259.178349)


   

benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

C16H21NO2 (259.1572206)


   

1-(1-PYRIDIN-4-YL-ETHYL)-PIPERAZINE3HCL

1-(1-PYRIDIN-4-YL-ETHYL)-PIPERAZINE3HCL

C14H26ClNO (259.1702816)


   

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

C16H21NO2 (259.1572206)


   

(+/-)-1-AMINO-3-N-(4-BOC-PIPERAZINYL)-2-PROPANOL

(+/-)-1-AMINO-3-N-(4-BOC-PIPERAZINYL)-2-PROPANOL

C12H25N3O3 (259.189582)


   

1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE OXIME

1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE OXIME

C17H25NO (259.193604)


   

N,N-bis(2-hydroxyethyl)-undecylamine

N,N-bis(2-hydroxyethyl)-undecylamine

C15H33NO2 (259.2511158)


   

2-(pyrrolidin-1-yl)-1-p-tolylhexan-1-one

2-(pyrrolidin-1-yl)-1-p-tolylhexan-1-one

C17H25NO (259.193604)


   

1H-Indole, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dihydro-3,3-dimethyl-2-methylene-

1H-Indole, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dihydro-3,3-dimethyl-2-methylene-

C16H21NO2 (259.1572206)


   

ethyl 4-fluoro-4-Methyl-2-pent-4-enaMidopentanoate

ethyl 4-fluoro-4-Methyl-2-pent-4-enaMidopentanoate

C13H22FNO3 (259.1583634)


   

Tris(Butylamino) Methylsilane

Tris(Butylamino) Methylsilane

C13H33N3Si (259.2443618)


   
   

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanamine

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanamine

C15H22BNO2 (259.1743502)


   

ETHYL 2-(1-BENZYLPIPERIDIN-4-YLIDENE)ACETATE

ETHYL 2-(1-BENZYLPIPERIDIN-4-YLIDENE)ACETATE

C16H21NO2 (259.1572206)


   

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C17H25NO (259.193604)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents

   
   

1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one

1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one

C17H25NO (259.193604)


   

3,4-Dimethyl-alpha-pyrrolizinovalerophenone

3,4-Dimethyl-alpha-pyrrolizinovalerophenone

C17H25NO (259.193604)


   
   
   

(4s)-N~4~-(6-Methoxyquinolin-8-Yl)pentane-1,4-Diamine

(4s)-N~4~-(6-Methoxyquinolin-8-Yl)pentane-1,4-Diamine

C15H21N3O (259.1684536)


   

2-(2-Cyanoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran

2-(2-Cyanoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran

C16H21NO2 (259.1572206)


   

Dexpropranolol

Dexpropranolol

C16H21NO2 (259.1572206)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

C18H29N (259.2299874)


   

Eperisone

Eperisone

C17H25NO (259.193604)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

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

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

C14H29NO3 (259.2147324)


   

4-Methylpentanoylcarnitine

4-Methylpentanoylcarnitine

C13H25NO4 (259.178349)


   

3-Methylpentanoylcarnitine

3-Methylpentanoylcarnitine

C13H25NO4 (259.178349)


   

L-Isoleucyl-L-lysine

L-Isoleucyl-L-lysine

C12H25N3O3 (259.189582)


   
   

1-[4-(2-Prop-2-enylphenoxy)butyl]pyrrolidine

1-[4-(2-Prop-2-enylphenoxy)butyl]pyrrolidine

C17H25NO (259.193604)


   

1-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

1-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

1-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

(2R)-2-hydroperoxytetradecanoate

(2R)-2-hydroperoxytetradecanoate

C14H27O4- (259.1909242)


   

1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

7,11-Dihydroxytetradecanoate

7,11-Dihydroxytetradecanoate

C14H27O4- (259.1909242)


   

Hexanoyl-L-carnitine-(N-methyl-d3), analytical standard

Hexanoyl-L-carnitine-(N-methyl-d3), analytical standard

C13H25NO4 (259.178349)


   

(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one

(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one

C16H21NO2 (259.1572206)


   

(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)hexan-3-one

(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)hexan-3-one

C16H21NO2 (259.1572206)


   

5-[4-(3-Aminopropylamino)butylamino]-5-oxopentanoic acid

5-[4-(3-Aminopropylamino)butylamino]-5-oxopentanoic acid

C12H25N3O3 (259.189582)


   

5-[3-(4-Aminobutylamino)propylamino]-5-oxopentanoic acid

5-[3-(4-Aminobutylamino)propylamino]-5-oxopentanoic acid

C12H25N3O3 (259.189582)


   

(2S)-2-(4-aminobutanoylamino)-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-(4-aminobutanoylamino)-5-(diaminomethylideneamino)pentanoic acid

C10H21N5O3 (259.16443160000006)


   

2-Aminopentadecane-1,3-diol

2-Aminopentadecane-1,3-diol

C15H33NO2 (259.2511158)


   

N-(1,3-dihydroxynonan-2-yl)pentanamide

N-(1,3-dihydroxynonan-2-yl)pentanamide

C14H29NO3 (259.2147324)


   

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

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

C14H29NO3 (259.2147324)


   

N-(1,3-dihydroxyundecan-2-yl)propanamide

N-(1,3-dihydroxyundecan-2-yl)propanamide

C14H29NO3 (259.2147324)


   

N-(1,3-dihydroxydecan-2-yl)butanamide

N-(1,3-dihydroxydecan-2-yl)butanamide

C14H29NO3 (259.2147324)


   

3-Phenylacetyl-5-pentyl-2-isoxazoline

3-Phenylacetyl-5-pentyl-2-isoxazoline

C16H21NO2 (259.1572206)


   

Methyl 2-isopropyl-3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)

Methyl 2-isopropyl-3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)

C16H21NO2 (259.1572206)


   

N-(2-Butenyl)-N-(2-methyl-1-phenylpropyl)propanamide

N-(2-Butenyl)-N-(2-methyl-1-phenylpropyl)propanamide

C17H25NO (259.193604)


   

2-(1,4-Dihydroxybutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

2-(1,4-Dihydroxybutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

C13H25NO4 (259.178349)


   

(R)-(+)-propranolol

(R)-(+)-propranolol

C16H21NO2 (259.1572206)


   

L-Hexanoylcarnitine

L-Hexanoylcarnitine

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   
   
   

ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

C16H21NO2 (259.1572206)


   

(1R,2S)-nortilidine

(1R,2S)-nortilidine

C16H21NO2 (259.1572206)


An ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver.

   

(1S,2R)-nortilidine

(1S,2R)-nortilidine

C16H21NO2 (259.1572206)


A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for (1S,2R)-nortilidine, being metabolised to it by the liver.

   

O-hexanoylcarnitine

O-hexanoylcarnitine

C13H25NO4 (259.178349)


An O-acylcarnitine compound having hexanoyl as the acyl substituent.

   

O-hexanoyl-L-carnitine

O-hexanoyl-L-carnitine

C13H25NO4 (259.178349)


An O-hexanoylcarnitine that has L configuration.

   
   
   
   

Isocaproylcarnitine

Isocaproylcarnitine

C13H25NO4 (259.178349)


   

Octadecatrienenitrile

Octadecatrienenitrile

C18H29N (259.2299874)


   
   
   

15-methyl-8-azatricyclo[10.4.0.0⁴,⁸]hexadeca-4,6-diene-3,13-dione

15-methyl-8-azatricyclo[10.4.0.0⁴,⁸]hexadeca-4,6-diene-3,13-dione

C16H21NO2 (259.1572206)


   

(2s)-2-[(5e,7e)-dodeca-5,7-dien-3-yn-1-yl]-1-ethylpyrrolidine

(2s)-2-[(5e,7e)-dodeca-5,7-dien-3-yn-1-yl]-1-ethylpyrrolidine

C18H29N (259.2299874)


   

{[(5z)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(3-methylbutyl)amine

{[(5z)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(3-methylbutyl)amine

C15H21N3O (259.1684536)


   

n-(2-methylbutyl)dodec-2-en-8,10-diynimidic acid

n-(2-methylbutyl)dodec-2-en-8,10-diynimidic acid

C17H25NO (259.193604)


   

(1s,4s,5r,6s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

(1s,4s,5r,6s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

C16H21NO2 (259.1572206)


   

4-{2-[(5-hydroxy-2-methylcyclohex-2-en-1-yl)(methyl)amino]ethenyl}phenol

4-{2-[(5-hydroxy-2-methylcyclohex-2-en-1-yl)(methyl)amino]ethenyl}phenol

C16H21NO2 (259.1572206)


   

1-(1-methylpyrrolidin-2-yl)-6-phenylhex-5-en-2-ol

1-(1-methylpyrrolidin-2-yl)-6-phenylhex-5-en-2-ol

C17H25NO (259.193604)


   

(2e)-n-[(2s)-2-methylbutyl]dodec-2-en-8,10-diynimidic acid

(2e)-n-[(2s)-2-methylbutyl]dodec-2-en-8,10-diynimidic acid

C17H25NO (259.193604)


   

6-(1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-en-1-one

6-(1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-en-1-one

C16H21NO2 (259.1572206)


   

4-[(1z)-2-{[(1s,5s)-5-hydroxy-2-methylcyclohex-2-en-1-yl](methyl)amino}ethenyl]phenol

4-[(1z)-2-{[(1s,5s)-5-hydroxy-2-methylcyclohex-2-en-1-yl](methyl)amino}ethenyl]phenol

C16H21NO2 (259.1572206)


   

methyl 2-[(5s,8s)-2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl]prop-2-enoate

methyl 2-[(5s,8s)-2,5-dimethyl-5h,6h,7h,8h,9h-cyclohepta[b]pyridin-8-yl]prop-2-enoate

C16H21NO2 (259.1572206)


   
   

4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

C16H21NO2 (259.1572206)


   

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one

C16H21NO2 (259.1572206)


   

(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

C16H21NO2 (259.1572206)


   

5-nonyl-1,2,3,4-tetrahydroquinoline

5-nonyl-1,2,3,4-tetrahydroquinoline

C18H29N (259.2299874)


   

16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

C16H21NO2 (259.1572206)


   

(1s,5r)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-1-yl acetate

(1s,5r)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-1-yl acetate

C16H21NO2 (259.1572206)


   

(1s,2s,13r,16s)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

(1s,2s,13r,16s)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

C16H21NO2 (259.1572206)


   

8-methoxy-1-methyl-2-pentylquinolin-4-one

8-methoxy-1-methyl-2-pentylquinolin-4-one

C16H21NO2 (259.1572206)


   

n-(1,3-dihydroxydodecan-2-yl)ethanimidic acid

n-(1,3-dihydroxydodecan-2-yl)ethanimidic acid

C14H29NO3 (259.2147324)


   

(2s,6r,7s,8s)-7-[(1z)-but-1-en-3-yn-1-yl]-2-(prop-2-en-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2s,6r,7s,8s)-7-[(1z)-but-1-en-3-yn-1-yl]-2-(prop-2-en-1-yl)-1-azaspiro[5.5]undecan-8-ol

C17H25NO (259.193604)


   

(2s,4e,6e)-12-(pyridin-3-yl)dodeca-4,6-dien-2-ol

(2s,4e,6e)-12-(pyridin-3-yl)dodeca-4,6-dien-2-ol

C17H25NO (259.193604)


   

(2r,5e)-1-[(2r)-1-methylpyrrolidin-2-yl]-6-phenylhex-5-en-2-ol

(2r,5e)-1-[(2r)-1-methylpyrrolidin-2-yl]-6-phenylhex-5-en-2-ol

C17H25NO (259.193604)


   

(7z)-n-(2-methylpropyl)tridec-7-en-10,12-diynimidic acid

(7z)-n-(2-methylpropyl)tridec-7-en-10,12-diynimidic acid

C17H25NO (259.193604)


   

n-[(2r,3s)-1,3-dihydroxydodecan-2-yl]ethanimidic acid

n-[(2r,3s)-1,3-dihydroxydodecan-2-yl]ethanimidic acid

C14H29NO3 (259.2147324)


   

2-heptyl-1-hydroxyquinolin-4-one

2-heptyl-1-hydroxyquinolin-4-one

C16H21NO2 (259.1572206)


   

(4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

(4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

C16H21NO2 (259.1572206)


   

(2r,6e,8e)-12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

(2r,6e,8e)-12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

C17H25NO (259.193604)


   

({4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene}methyl)(3-methylbutyl)amine

({4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene}methyl)(3-methylbutyl)amine

C15H21N3O (259.1684536)


   
   

n-(2-methylpropyl)tridec-7-en-10,12-diynimidic acid

n-(2-methylpropyl)tridec-7-en-10,12-diynimidic acid

C17H25NO (259.193604)


   

7-[(1e)-but-1-en-3-yn-1-yl]-2-(prop-2-en-1-yl)-1-azaspiro[5.5]undecan-8-ol

7-[(1e)-but-1-en-3-yn-1-yl]-2-(prop-2-en-1-yl)-1-azaspiro[5.5]undecan-8-ol

C17H25NO (259.193604)


   

(1r,5r)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl 2-phenylacetate

(1r,5r)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl 2-phenylacetate

C16H21NO2 (259.1572206)


   

(2z)-n-[(2s)-2-methylbutyl]dodec-2-en-8,10-diynimidic acid

(2z)-n-[(2s)-2-methylbutyl]dodec-2-en-8,10-diynimidic acid

C17H25NO (259.193604)


   

7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4-dien-9-one

7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4-dien-9-one

C16H21NO2 (259.1572206)


   

(2e)-n-(2-methylbutyl)dodec-2-en-8,10-diynimidic acid

(2e)-n-(2-methylbutyl)dodec-2-en-8,10-diynimidic acid

C17H25NO (259.193604)


   

n-[2-(2,2-dimethylchromen-6-yl)ethyl]-n-methylacetamide

n-[2-(2,2-dimethylchromen-6-yl)ethyl]-n-methylacetamide

C16H21NO2 (259.1572206)


   

2-(dodeca-5,7-dien-3-yn-1-yl)-1-ethylpyrrolidine

2-(dodeca-5,7-dien-3-yn-1-yl)-1-ethylpyrrolidine

C18H29N (259.2299874)


   

(5z)-n-(2-methylpropyl)tridec-5-en-10,12-diynimidic acid

(5z)-n-(2-methylpropyl)tridec-5-en-10,12-diynimidic acid

C17H25NO (259.193604)


   

(1s,2s,13r)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

(1s,2s,13r)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.0¹,⁶.0²,¹³]heptadeca-8,10-dien-15-one

C16H21NO2 (259.1572206)


   

(1r,7s,10s,11s)-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4-dien-9-one

(1r,7s,10s,11s)-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4-dien-9-one

C16H21NO2 (259.1572206)


   

(5s,6r)-6-[(8as)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-5-methylcyclohex-2-en-1-one

(5s,6r)-6-[(8as)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-5-methylcyclohex-2-en-1-one

C16H21NO2 (259.1572206)


   

(4s)-4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohex-2-en-1-one

(4s)-4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohex-2-en-1-one

C16H21NO2 (259.1572206)


   

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

C16H21NO2 (259.1572206)


   

4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohex-2-en-1-one

4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohex-2-en-1-one

C16H21NO2 (259.1572206)


   

1-(1h-indol-3-yl)-2-methoxy-5-methylhexan-3-one

1-(1h-indol-3-yl)-2-methoxy-5-methylhexan-3-one

C16H21NO2 (259.1572206)


   

(1z)-2-[(1s)-1-(c-hydroxycarbonimidoyl)-2-methoxyethyl]-1-octyldiazen-1-ium-1-olate

(1z)-2-[(1s)-1-(c-hydroxycarbonimidoyl)-2-methoxyethyl]-1-octyldiazen-1-ium-1-olate

C12H25N3O3 (259.189582)


   

5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

C16H21NO2 (259.1572206)


   

(1r,4r,5s,6r)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

(1r,4r,5s,6r)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadeca-2,9-dien-8-one

C16H21NO2 (259.1572206)


   

(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacetate

C16H21NO2 (259.1572206)


   

(4br,7s,8ar)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

(4br,7s,8ar)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

C16H21NO2 (259.1572206)


   

12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

C17H25NO (259.193604)


   

(2e,4e,8z,10e,12e)-n-isopropyltetradeca-2,4,8,10,12-pentaenimidic acid

(2e,4e,8z,10e,12e)-n-isopropyltetradeca-2,4,8,10,12-pentaenimidic acid

C17H25NO (259.193604)


   

[1-(c-hydroxycarbonimidoyl)-2-methoxyethyl](octyl-oxo-λ⁵-azanylidene)amine

[1-(c-hydroxycarbonimidoyl)-2-methoxyethyl](octyl-oxo-λ⁵-azanylidene)amine

C12H25N3O3 (259.189582)


   

12-(pyridin-3-yl)dodeca-4,6-dien-2-ol

12-(pyridin-3-yl)dodeca-4,6-dien-2-ol

C17H25NO (259.193604)


   

(6e,8e)-12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

(6e,8e)-12-(pyridin-2-yl)dodeca-6,8-dien-2-ol

C17H25NO (259.193604)


   

5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline

5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline

C18H29N (259.2299874)


   

(1r,2r,13r,15r)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one

(1r,2r,13r,15r)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-8,10-dien-12-one

C16H21NO2 (259.1572206)