Exact Mass: 324.2253166
Exact Mass Matches: 324.2253166
Found 394 metabolites which its exact mass value is equals to given mass value 324.2253166,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quinine
C20H24N2O2 (324.18376839999996)
Quinine is a cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. It has a role as an antimalarial, a muscle relaxant and a non-narcotic analgesic. It is a conjugate base of a quinine(1+). It derives from a hydride of an (8S)-cinchonan. An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. Quinine is an Antimalarial. Quinine is a natural cinchona alkaloid that has been used for centuries in the prevention and therapy of malaria. Quinine is also used for idiopathic muscle cramps. Quinine therapy has been associated with rare instances of hypersensitivity reactions which can be accompanied by hepatitis and mild jaundice. Quinine is a natural product found in Cinchona calisaya, Cinchona officinalis, and other organisms with data available. Quinine is a quinidine alkaloid isolated from the bark of the cinchona tree. Quinine has many mechanisms of action, including reduction of oxygen intake and carbohydrate metabolism; disruption of DNA replication and transcription via DNA intercalation; and reduction of the excitability of muscle fibers via alteration of calcium distribution. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04) Quinine is an alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. See also: Quinine Sulfate (active moiety of); Quinine salicylate (active moiety of); Quinine arsenite (active moiety of) ... View More ... Quinine is an alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. [PubChem]. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics It is used in tonics and bitter drinks [Raw Data] CB141_Quinine_pos_10eV_CB000051.txt [Raw Data] CB141_Quinine_pos_20eV_CB000051.txt [Raw Data] CB141_Quinine_pos_40eV_CB000051.txt [Raw Data] CB141_Quinine_pos_50eV_CB000051.txt [Raw Data] CB141_Quinine_pos_30eV_CB000051.txt Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2]. Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
Piperonyl sulfoxide
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
dihydromonacolin L acid
A polyketide obtained by hydrolysis of the pyranone ring of dihydromonacolin L.
Quinidine
C20H24N2O2 (324.18376839999996)
Crystals or white powder. (NTP, 1992) Quinidine is a cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. It has a role as an alpha-adrenergic antagonist, an antimalarial, an anti-arrhythmia drug, a sodium channel blocker, a muscarinic antagonist, a potassium channel blocker, a P450 inhibitor, an EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor, an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor and a drug allergen. It derives from a hydride of a cinchonan. Quinidine is a D-isomer of [quinine] present in the bark of the Cinchona tree and similar plant species. This alkaloid was first described in 1848 and has a long history as an antiarrhythmic medication. Quinidine is considered the first antiarrhythmic drug (class Ia) and is moderately efficacious in the acute conversion of atrial fibrillation to normal sinus rhythm. It prolongs cellular action potential by blocking sodium and potassium currents. A phenomenon known as “quinidine syncope” was first described in the 1950s, characterized by syncopal attacks and ventricular fibrillation in patients treated with this drug. Due to its side effects and increased risk of mortality, the use of quinidine was reduced over the next few decades. However, it continues to be used in the treatment of Brugada syndrome, short QT syndrome and idiopathic ventricular fibrillation. Quinidine is an Antiarrhythmic and Cytochrome P450 2D6 Inhibitor. The mechanism of action of quinidine is as a Cytochrome P450 2D6 Inhibitor. Quinidine is a natural cinchona alkaloid which has potent antiarrhythmic activity and has been used for decades in the treatment of atrial and ventricular arrhythmias. Quinidine has been associated with fever, mild jaundice and clinically apparent liver injury in up to 2\\\\% of treated patients. Quinidex is a natural product found in Cinchona calisaya, Aspidosperma excelsum, and other organisms with data available. Quinidine is an alkaloid extracted from the bark of the Cinchona tree with class 1A antiarrhythmic and antimalarial effects. Quinidine stabilizes the neuronal membrane by binding to and inhibiting voltage-gated sodium channels, thereby inhibiting the sodium influx required for the initiation and conduction of impulses resulting in an increase of the threshold for excitation and decreased depolarization during phase 0 of the action potential. In addition, the effective refractory period (ERP), action potential duration (APD), and ERP/APD ratios are increased, resulting in decreased conduction velocity of nerve impulses. Quinidine exerts its antimalarial activity by acting primarily as an intra-erythrocytic schizonticide through association with the heme polymer (hemazoin) in the acidic food vacuole of the parasite thereby preventing further polymerization by heme polymerase enzyme. This results in accumulation of toxic heme and death of the parasite. An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. See also: Quinidine Gluconate (active moiety of); Quinidine Sulfate (active moiety of); Quinidine polygalacturonate (is active moiety of). An optical isomer of quinine, extracted from the bark of the Cinchona tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular action potential, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Raw Data] CBA33_Quinidine_pos_50eV_1-1_01_1622.txt [Raw Data] CBA33_Quinidine_pos_30eV_1-1_01_1620.txt [Raw Data] CBA33_Quinidine_pos_40eV_1-1_01_1621.txt [Raw Data] CBA33_Quinidine_pos_20eV_1-1_01_1619.txt [Raw Data] CBA33_Quinidine_pos_10eV_1-1_01_1616.txt Quinidine (15\\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4]. Quinidine (15\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4].
Etonogestrel
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
(13R,14R)-7-Labdene-13,14,15-triol
(13R,14R)-7-Labdene-13,14,15-triol is found in fats and oils. (13R,14R)-7-Labdene-13,14,15-triol is a constituent of Madia sativa (Chile tarweed) Constituent of Madia sativa (Chile tarweed). (13R,14R)-7-Labdene-13,14,15-triol is found in fats and oils.
(Z)-15-Oxo-11-eicosenoic acid
(Z)-15-Oxo-11-eicosenoic acid is found in cereals and cereal products. (Z)-15-Oxo-11-eicosenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-15-Oxo-11-eicosenoic acid is found in cereals and cereal products.
Lactapiperanol D
Lactapiperanol B is found in mushrooms. Lactapiperanol B is a constituent of Lactarius piperatus.
(13R,14R)-8-Labdene-13,14,15-triol
(13R,14R)-8-Labdene-13,14,15-triol is found in fats and oils. (13R,14R)-8-Labdene-13,14,15-triol is a constituent of Madia sativa (Chile tarweed) Constituent of Madia sativa (Chile tarweed). (13R,14R)-8-Labdene-13,14,15-triol is found in fats and oils.
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is found in avocado. 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is a constituent of avocado (Persea americana) Constituent of avocado (Persea americana). 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is found in avocado and fruits.
Cibaric acid
Cibaric acid is found in mushrooms. Cibaric acid is isolated from damaged fruit bodies of the edible chanterelle mushroom (Cantharellus cibarius). Isolated from damaged fruit bodies of the edible chanterelle mushroom (Cantharellus cibarius). Cibaric acid is found in mushrooms.
Etonogestrel
Etonogestrel is only found in individuals that have used or taken this drug. It is a molecule used in hormonal contraceptives, most notably the subdermal implant Implanon. [Wikipedia]Etonogestrel binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like etonogestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
(R)-(6-Methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol
C20H24N2O2 (324.18376839999996)
(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-3-yl)methanol
C20H24N2O2 (324.18376839999996)
L-Prolinamide, 5-oxo-L-prolyl-L-norvalyl-
Alstoumerine
C20H24N2O2 (324.18376839999996)
A natural product found in Alstonia macrophylla.
Tubotaiwine
C20H24N2O2 (324.18376839999996)
Annotation level-1
1-Methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran
11-[3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
(R)-2-hydroxy-sterculate|Me ester-(R)-2-Hydroxysterculic acid|methyl (R)-2-hydroxysterculate|Methyl 2-hydroxysterculate
3??-Acetoxy-4??-hydroxy-11(13)-eudesmen-12-oic acid methyl ester
3,7-seco-cura-2(7),19-dien-17-oic acid methyl ester|Desformylstemmadenin|Desformylstemmadenine
C20H24N2O2 (324.18376839999996)
(ent-3alpha,4alpha,5alpha,13xi)-3,4-Epoxy-13,15-clerodanediol|16-hydroxy-3,4beta-epoxy-5beta,10beta-cis-17alpha,20alpha-cleroda-15-ol
(19S)-17,19-epoxy-1-methyl-(20alphaH)-19,20-dihydro-sarpagan-21alpha-ol|Talpinin|Talpinine
C20H24N2O2 (324.18376839999996)
2alpha-hydroxy-3alpha,4alpha-epoxy-13,14-dihydrokolavenol
1beta,10beta-epoxy-6beta-(2-semialdehyde acetal hydroxymethylacroyloxy)-8beta-ethoxyeremophil-7(11)-en-12,8alpha-olide
Erythroxytriol P
(1R,2R,4aR,5S,6R,8aR)-decahydro-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,5,6,8a-tetramethylnaphthalene-1,2-diol|(3alpha,4beta,13E)-2-neoclerod-13-ene-3,4,15-triol
Me ester-(9R,10R,11S,12Z,15Z)-9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid
3-Hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid
6-acetyl-3a-ethyl-Delta6a,8,10-dodecahydro-1,6-diaza-indeno[7,1-cd]fluorene|6-acetyl-3a-ethyl-Delta6a,8,10-dodecahydro-cyclopenta[ij]indolo[2,3-h]isoquinoline|N-Acetyl-aspidospermidin
14,15-Dihydro-(ent-7beta,13xi)-7,13-Dihydroxy-14-cleroden-2-one
Dihydro-5-methoxy-5-methyl-3-(9-tetradecenyl)-2(3H)-furanone
15-chloroxeniaphylla-4,8(19)dien-14-ol
C20H33ClO (324.22197980000004)
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
methyl (+)-(9R,10E,12Z)-9-methoxyoctadeca-10,12-dienoate
(3R,4S,5S)-4,5-dihydro-4-hydroxy-5-methyl-3-[(1Z)-2-(1-methylethyl)-10-oxoundec-1-en-1-yl]furan-2(3H)-one|litsealactone D
1-acetyl-condyfol-14(19)-en-11-ol|N-Acetyl-11-hydroxy-aspidospermatidin
C20H24N2O2 (324.18376839999996)
O-beta-D-Glucopyranoside-16-Ethenyloxayohimban-17-ol
C20H24N2O2 (324.18376839999996)
N,N鈥樎?Di-Me,dibenzoyl-1,4-Butanediamine
C20H24N2O2 (324.18376839999996)
12-Methoxy-B(9a)-homo-C-nor-ibogamin-9a-on|12-methoxy-B(9a)-homo-C-nor-ibogamin-9a-one
C20H24N2O2 (324.18376839999996)
(3E,7E,11E)-(1S)-isopropyl-4,8,12-trimethylcyclotetradeca-3,11-diene-8,13,15-triol
(betaxi,1S,2R,4aR,5S,8aR)-decahydro-5-hydroxy-beta,1,2,4a,5-pentamethylnaphthalene-1-pentanoic acid|4beta-hydroxyclerodan-15-oic acid
(1S,2E,4S,6R,7R,8R)-4,6-dihydroxy-7,8-epoxy-20-nor-2-cembren-12-one
2,7-dihydro-1,16-cyclo-coryn-19-en-17-oic acid methyl ester|2,7-Dihydro-pleiocarpamin|2,7-dihydro-pleiocarpamine|pleiocarpamine
C20H24N2O2 (324.18376839999996)
(2S)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-ethoxy-3-methylbutan-2-ol|lenisin C
(-)-ethyleburnamine|(-)-O-ethyleburnamine|O-ethyl-eburnamine
(1S)-2xi-(6-Methoxy-[4]chinolyl)-6endo-vinyl-1-aza-bicyclo[3.2.2]nonan-3xi-ol|(1S)-2xi-(6-methoxy-[4]quinolyl)-6endo-vinyl-1-aza-bicyclo[3.2.2]nonan-3xi-ol
C20H24N2O2 (324.18376839999996)
1,2-Dehydro-beninin|1,2-Dehydrobeninin|1,2-didehydro-beninine|ent-6beta,21-epoxy-17-methoxy-1,2-didehydro-aspidospermidine
C20H24N2O2 (324.18376839999996)
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
C20H24N2O2 (324.18376839999996)
Dianilide-3-Methylheptanedioic acid
C20H24N2O2 (324.18376839999996)
8-Oxo,15alpha-hydroxy-(+)-Aristoteline|aristolasicolone
C20H24N2O2 (324.18376839999996)
2-phenyl-N-[4-[(2-phenylacetyl)amino]butyl]acetamide
C20H24N2O2 (324.18376839999996)
Strema
C20H24N2O2 (324.18376839999996)
Quinine Sulfate is the sulfate salt form of the quinidine alkaloid isolate quinine. Quinine has many mechanisms of action, including reduction of oxygen intake and carbohydrate metabolism; disruption of DNA replication and transcription via DNA intercalation; and reduction of the excitability of muscle fibers via alteration of calcium distribution. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04) An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Quinine
C20H24N2O2 (324.18376839999996)
CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5966; ORIGINAL_PRECURSOR_SCAN_NO 5964 P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5977; ORIGINAL_PRECURSOR_SCAN_NO 5975 CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5998; ORIGINAL_PRECURSOR_SCAN_NO 5996 CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5996; ORIGINAL_PRECURSOR_SCAN_NO 5994 CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6003; ORIGINAL_PRECURSOR_SCAN_NO 6001 CONFIDENCE standard compound; INTERNAL_ID 270; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6016; ORIGINAL_PRECURSOR_SCAN_NO 6013 Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Cinchona alkaloids, Indole alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.728 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.722 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.721 Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2]. Quinine is an alkaloid derived from the bark of the cinchona tree, acts as an anti-malaria agent. Quinine is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
C20H24N2O2_6-Methoxycinchonan-9-ol
C20H24N2O2 (324.18376839999996)
C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)
Quinidine
C20H24N2O2 (324.18376839999996)
Annotation level-1 Quinidine (15\\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4]. Quinidine (15\% dihydroquinidine) is an antiarrhythmic agent. Quinidine is a potent, orally active, selective cytochrome P450db inhibitor. Quinidine is also a K+ channel blocker with an IC50 of 19.9 μM, and can induce apoptosis. Quinidine can be used for malaria research[1][2][3][4].
[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
C20H24N2O2 (324.18376839999996)
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol
CA6PE2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); The position of the carboxylic group was assigned arbitrarily; locations of branching points are undetermined; Digitised from figure: approximate intensities
14,15-Epoxysclareol
Origin: Plant; SubCategory_DNP: Diterpenoids, Labdane diterpenoids, Sclareol diterpenoids
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid_major
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_84.8\\%
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_major
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_92.7\\%
5-(Tetradecyloxy)-2-furoic acid
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites TOFA (RMI14514;MDL14514) is an allosteric inhibitor of acetyl-CoA carboxylase-α (ACCA ).
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid
Lactapiperanol D
(13R,14R)-8-Labdene-13,14,15-triol
(13R,14R)-7-Labdene-13,14,15-triol
Methyl 4-anilino-1-benzyl-4-piperidinecarboxylate
C20H24N2O2 (324.18376839999996)
8-benzyl-3-exo-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
5-Tert-Butyl 2-Ethyl 3-Amino-6,6-Dimethylpyrrolo[3,4-C]Pyrazole-2,5(4H,6H)-Dicarboxylate
viquidil
C20H24N2O2 (324.18376839999996)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Bupivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents Bupivacaine hydrochloride is a NMDA receptor inhibitor.Bupivacaine can block sodium, L-calcium, and potassium channels.Bupivacaine potently blocks SCN5A channels with the IC50 of 69.5 μM. Bupivacaine hydrochloride can be used for the research of chronic pain[1][2][3].
3-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde
C20H24N2O2 (324.18376839999996)
2-(benzylmethylamino)pyridine-5-boronic acid pinacol ester
3-(6-methoxynaphthalen-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate
C20H24N2O2 (324.18376839999996)
6-(4-Methylbenzylamino)pyridine-3-boronic acid pinacol ester
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane
1-decyl-2,3-dimethylimidazolium tetrafluoroborate
C15H29BF4N2 (324.23597920000003)
sodium 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-nonyl-1H-imidazolium hydroxide
C15H29N2NaO4 (324.20249140000004)
1,4-bis-(Phenylmethyl)-2-piperazinecarboxylic acid methyl ester
C20H24N2O2 (324.18376839999996)
2-Benzyloxy-5-methylphenylboronic acid pinacol ester
Diampromide
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Di-tert-butyl (6-amino-2-Methylpyrimidin-4-yl)carbamate
1,2-Ethanediol - 1,1-methylenebis(4-isocyanatocyclohexane) (1:1)
C17H28N2O4 (324.20489680000003)
1-(3,3-DIETHOXYPROPYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C16H29BN2O4 (324.22202640000006)
1-Benzyl-4-benzyloxycarbonylaminopiperidine
C20H24N2O2 (324.18376839999996)
1-(2-HYDROXY-1-METHYL-2-PHENYL-ETHYL)-4-PHENYLAMINO-PIPERIDIN-2-ONE
C20H24N2O2 (324.18376839999996)
2-[3-(4-tert-Butoxycarbonyl-1-piperazinyl)-2-pyrazinyloxy]ethanol
4,4,7-TRIETHOXY-7-METHYL-3,8-DIOXA-4,7-DISILADECANE
2-Methoxy-5-(3,7-dimethyloctyloxy)-1,4-bis(hydroxymethyl)benzene
2-(4-(benzyloxy)-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Levobupivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRAZOLE
1-(3,3-DIETHOXYPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C16H29BN2O4 (324.22202640000006)
2,2-dimethyl-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]propanamide
N,N-Disalicylidene-1,6-hexanediamine
C20H24N2O2 (324.18376839999996)
Antibiotic 1233A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
4-Diphenylacetoxy-1,1-dimethylpiperidinium
C21H26NO2+ (324.19634360000003)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
C19H24N4O (324.19500139999997)
(2S,3S)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
(4R)-4-(3-Hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
C20H24N2O2 (324.18376839999996)
Methyl 7-{4-[2-(2-hydroxyethoxy)ethoxy]phenyl}heptanoate
(15-Ethylidene-6-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl)methanol
C20H24N2O2 (324.18376839999996)
(R)-(6-Methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol
C20H24N2O2 (324.18376839999996)
methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
C20H24N2O2 (324.18376839999996)
[3-carboxy-2-[(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-undeca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(2E,5E,8E)-undeca-2,5,8-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(4E,6E,9E)-undeca-4,6,9-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(3E,5E,7E)-undeca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
(Z)-2-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]but-2-ene-1,4-diol
20(R)-tubotaiwine
C20H24N2O2 (324.18376839999996)
A natural product found in Alstonia spatulata.
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene
A natural product found in Pseudaxinella flava.
(1S,3aR,3a1S,4S,6S,6aS,9aR)-1-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylenedodecahydro-1H-phenalene
A natural product found in Pseudaxinella flava.
[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
C20H24N2O2 (324.18376839999996)
6-[2-(4-Aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
1-(4-Benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
C19H24N4O (324.19500139999997)
N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid
C20H24N2O2 (324.18376839999996)
N-[(2R,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
methyl (5E,6R,7S)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
C20H24N2O2 (324.18376839999996)
methyl (5E,6R,7R)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
C20H24N2O2 (324.18376839999996)
(3R,5R)-7-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[[2-[(3S)-3-methyl-2-oxopentyl]cyclopropyl]methyl]cyclopropyl]butanoic acid
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
C20H24N2O2 (324.18376839999996)
[(15E)-15-ethylidene-6-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
C20H24N2O2 (324.18376839999996)
1-O-[(7Z,10Z,13Z)-1-Oxo-7,10,13-hexadecatrienyl]glycerol
3-Ethoxy-6-(5-methyl-1-trimethylsiloxy-4-hexenyl)-2-cyclohexen-1-one
(2S,3S)-4-Benzyloxy-1-(tert-butyldimethylsi1yloxy)-3-methylbutan-2-OL
Methyl 2,6-dimethyl-9-(N-methylpiperazinylcarbamoyl)-6-nonenoate
2-[(1R,3S,8R,11S,13R,14S)-14-[(Z)-prop-1-enoxy]-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-13-yl]acetaldehyde
2,3-dihydroxypropyl (9E,11E,13E)-hexadeca-9,11,13-trienoate
Piperonyl sulfoxide
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol
C20H24N2O2 (324.18376839999996)
(9E,13Z,15E)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
C20H24N2O2 (324.18376839999996)
20(S)-tubotaiwine
C20H24N2O2 (324.18376839999996)
A natural product found in Alstonia spatulata.
2,3-dinor-prostaglandin E2
A prostanoid that is prostaglandin E2 lacking two methylenes in the carboxyalkyl chain.
HEDE
A hydroxy fatty acid that is any icosadienoic acid bearing a single hydroxy substituent. An oxidation product of icosadienoic acid metabolism.
15-HEDE
A hydroxyeicosadienoic acid that consists of 11Z,13E-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadienoic acid. There are no reports in the literature of biological activity associated with 15-HEDE.
(16R)-deshydroxymethyl-stemmadenine
C20H24N2O2 (324.18376839999996)
An organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7R is substituted by a methoxycarbonyl group.
(16S)-deshydroxymethyl-stemmadenine
C20H24N2O2 (324.18376839999996)
An organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7S is substituted by a methoxycarbonyl group.
DG(15:3)
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