Exact Mass: 279.1753666
Exact Mass Matches: 279.1753666
Found 372 metabolites which its exact mass value is equals to given mass value 279.1753666,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(±)-Metalaxyl
CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8605; ORIGINAL_PRECURSOR_SCAN_NO 8603 CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8561; ORIGINAL_PRECURSOR_SCAN_NO 8560 CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8595; ORIGINAL_PRECURSOR_SCAN_NO 8594 CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8508; ORIGINAL_PRECURSOR_SCAN_NO 8507 CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8544; ORIGINAL_PRECURSOR_SCAN_NO 8543 CONFIDENCE standard compound; INTERNAL_ID 643; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8588; ORIGINAL_PRECURSOR_SCAN_NO 8583 CONFIDENCE standard compound; EAWAG_UCHEM_ID 135 CONFIDENCE standard compound; INTERNAL_ID 8391 CONFIDENCE standard compound; INTERNAL_ID 2567 Systemic agricultural fungicid
Doxepin
Doxepin hydrochloride is a dibenzoxepin-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, doxepin does not affect mood or arousal, but may cause sedation. In depressed individuals, doxepin exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as doxepin and amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. Doxepin has less sedative and anticholinergic effects than amitriptyline. See toxicity section below for a complete listing of side effects. Doxepin may be used to treat depression and insomnia. Unlabeled indications include chronic and neuropathic pain, and anxiety. Doxepin may also be used as a second line agent to treat idiopathic urticaria. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists EAWAG_UCHEM_ID 3676; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3676
Sibutramine
Sibutramine (trade name Meridia in the USA, Reductil in Europe and other countries), usually as sibutramide hydrochloride monohydrate, is an orally administered agent for the treatment of obesity. It is a centrally acting stimulant chemically related to amphetamines. Sibutramine is classified as a Schedule IV controlled substance in the United States. In October 2010, Sibutramine was withdrawn from Canadian and U.S. markets due to concerns that the drug increases the risk of heart attack and stroke in patients with a history of heart disease. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Oxamniquine
An anthelmintic with schistosomicidal activity against Schistosoma mansoni, but not against other Schistosoma spp. Oxamniquine causes worms to shift from the mesenteric veins to the liver where the male worms are retained; the female worms return to the mesentery, but can no longer release eggs. (From Martidale, The Extra Pharmacopoeia, 31st ed, p121) P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Tandex
CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3869; ORIGINAL_PRECURSOR_SCAN_NO 3867 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3873; ORIGINAL_PRECURSOR_SCAN_NO 3871 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3840; ORIGINAL_PRECURSOR_SCAN_NO 3837 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3871; ORIGINAL_PRECURSOR_SCAN_NO 3866 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3854; ORIGINAL_PRECURSOR_SCAN_NO 3852 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3856; ORIGINAL_PRECURSOR_SCAN_NO 3854 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7846; ORIGINAL_PRECURSOR_SCAN_NO 7844 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7884; ORIGINAL_PRECURSOR_SCAN_NO 7882 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7894; ORIGINAL_PRECURSOR_SCAN_NO 7893 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7921; ORIGINAL_PRECURSOR_SCAN_NO 7919 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7939; ORIGINAL_PRECURSOR_SCAN_NO 7937 CONFIDENCE standard compound; INTERNAL_ID 471; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7937; ORIGINAL_PRECURSOR_SCAN_NO 7936
METALAXYL
D016573 - Agrochemicals D010575 - Pesticides
Etamiphylline
Etamiphylline belongs to the family of Xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
(R)-Roemerine
(R)-Roemerine is found in coffee and coffee products. (R)-Roemerine is an alkaloid from Nelumbo nucifera (East India lotus Roemerine, an aporphine alkaloid, isolated from the leaves of Fibraurea recisa Pierre, functions by interacting with P-glycoprotein. Roemerine reverses the multidrug-resistance phenotype with cultured cells[1]. Roemerine, an aporphine alkaloid, isolated from the leaves of Fibraurea recisa Pierre, functions by interacting with P-glycoprotein. Roemerine reverses the multidrug-resistance phenotype with cultured cells[1].
Heptaphylline
Heptaphylline is found in fruits. Heptaphylline is an alkaloid from the leaves of Clausena lansium (wampee
Koenine
Koenine is found in herbs and spices. Koenine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
Cycloclausenamide
Cycloclausenamide is found in fruits. Cycloclausenamide is isolated from the leaves of Clausena lansium (wampee). Isolated from the leaves of Clausena lansium (wampee). Cycloclausenamide is found in fruits.
N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide
C16H25NO3 (279.18343400000003)
Constituent of red pepper (Capsicum annuum). N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide is found in many foods, some of which are green bell pepper, orange bell pepper, italian sweet red pepper, and yellow bell pepper. N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide is found in herbs and spices. N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide is a constituent of red pepper (Capsicum annuum)
Murrayamine A
Murrayamine A is found in herbs and spices. Murrayamine A is an alkaloid from the roots of Murraya koenigii (curryleaf tree). Alkaloid from the roots of Murraya koenigii (curryleaf tree). Murrayamine A is found in herbs and spices.
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide is found in fruits. N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide is isolated from leaves of Clausena lansium (wampee). Isolated from leaves of Clausena lansium (wampee). N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide is found in fruits.
Homoclausenamide
Homoclausenamide is found in fruits. Homoclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Homoclausenamide is found in fruits.
z-Clausenamide
z-Clausenamide is found in fruits. z-Clausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). z-Clausenamide is found in fruits.
(E,E)-N-4-Methoxystyrylcinnamide
(E,E)-N-4-Methoxystyrylcinnamide is found in fruits. (E,E)-N-4-Methoxystyrylcinnamide is an alkaloid from the leaves of Aegle marmelos (bael fruit
E-10-Hydroxynortriptyline
E-10-Hydroxynortriptyline is only found in individuals that have used or taken Amitriptyline. E-10-Hydroxynortriptyline is a metabolite of Amitriptyline. E-10-hydroxynortriptyline belongs to the family of Dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.
N-(1-Deoxy-1-fructosyl)valine
C11H21NO7 (279.13179560000003)
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)valine is classified as a Natural Food Constituent (code WA) in the DFC.
10-Hydroxynortriptyline
2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
C15H21NO2S (279.12929260000004)
Verubulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
Contragestazol
D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
Fructosyl valine
C11H21NO7 (279.13179560000003)
Fructosylvaline
C11H21NO7 (279.13179560000003)
Mebeverine Acid
C16H25NO3 (279.18343400000003)
Moxisylyte
C16H25NO3 (279.18343400000003)
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
N-[2-(3,4-Dihydroxyphenyl)ethyl]octanamide
C16H25NO3 (279.18343400000003)
N-[(2R,3R,4S,6R)-4,6-Dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
C11H21NO7 (279.13179560000003)
4-(3-Tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Tezampanel
Choline ascorbate
C11H21NO7 (279.13179560000003)
Choline ascorbate is also known as choline ascorbic acid. Choline ascorbate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Choline ascorbate can be found in wild celery, which makes choline ascorbate a potential biomarker for the consumption of this food product.
Vanillyl octanamide
C16H25NO3 (279.18343400000003)
Vanillyl octanamide is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Vanillyl octanamide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Vanillyl octanamide can be found in a number of food items such as green bell pepper, pepper (c. annuum), red bell pepper, and orange bell pepper, which makes vanillyl octanamide a potential biomarker for the consumption of these food products.
Caulophyllumine A
Caulophyllumine A is a natural product found in Caulophyllum thalictroides with data available.
Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-
4,5-Dihydro-5-(4-methoxyphenyl)-2-(2-phenylethenyl)oxazole
Metolachlor OA
CONFIDENCE standard compound; INTERNAL_ID 2545 CONFIDENCE standard compound; INTERNAL_ID 8685 CONFIDENCE standard compound; INTERNAL_ID 4053 CONFIDENCE standard compound; EAWAG_UCHEM_ID 265 EAWAG_UCHEM_ID 265; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2058
2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid
Tramadol N-Oxide
C16H25NO3 (279.18343400000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3310 CONFIDENCE standard compound; INTERNAL_ID 2085 INTERNAL_ID 2085; CONFIDENCE standard compound
2,4,6,12-Tetradecatetraene-8,10-diynoic acid piperidide|tetradeca-2t,4t,6t,12t-tetraene-8,10,-diynoic-piperidide
4-[(R)-2-((3S)-3r,5t-Dimethyl-6-oxo-cyclohex-1-enyl)-2-hydroxy-aethyl]-piperidin-2,6-dion|4-[(R)-2-((3S)-3r,5t-dimethyl-6-oxo-cyclohex-1-enyl)-2-hydroxy-ethyl]-piperidine-2,6-dione|Inacton
(2S,3S)-2-((1R,4S)-4-isothiocyanato-4-methylcyclohexyl)-2-methyl-3-((E)-3-methylbut-1-enyl)oxirane|7alpha,8alpha-epoxytheonellin isothiocyanate
2-Ethyl-3-methyl-10-methoxy-3H-1,3a,6-triazapyrene
2-(3-ethoxy-3-methyl-butyl)-6-furan-3-yl-3-methyl-piperidine|Nupharamin-aethylaether
dipteronine C|rel-4-{(2E)-2-[(3R,5S)-5-hydroxy-3,5-dimethyl-2-oxocyclohexylidene]ethyl}piperidine-2,6-dione
(E,E)-2,4-Tetradecadiene-8,10,12-triynoic acid|tetradeca-2t,4t-diene-8,10,12-triynoic-piperidide
6alpha, 11alpha-dihydroxylycopodine
C16H25NO3 (279.18343400000003)
(E)-7-(3-methyl-4-oxo-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-b][1,3]oxazin-2-yl)hept-2-enoic acid
Me glycoside,N-benzoyl-alpha-L-Pyranose-3-Amino-2,3,6-trideoxy-3-C-methyl-xylo-hexose
4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-oxo-ethyl]piperidine-2,6-dione
1-methyl-4-(1-methyl-piperidin-2-yl)-9H-beta-carboline|Homobrevicollin
(3R,6R)-N-methyl-N-(1-hydroxy-2-methylpropyl)-phenylalanine
(+)-(5S)-2-(trans-styryl)-5-(4-methoxyphenyl)-Delta2-oxazoline|shahidine
(6alpha,15R)-4,6-dihydroxy-15-methyllyicopodan-5-one|4,6alpha-dihydroxylycopodine
C16H25NO3 (279.18343400000003)
Remerin
Remerin is an isoquinoline alkaloid. Roemerine is a natural product found in Cryptocarya angulata, Stephania abyssinica, and other organisms with data available. Origin: Plant; Formula(Parent): C18H17NO2; Bottle Name:Remerine hydrochloride; PRIME Parent Name:Remerine; PRIME in-house No.:V0353; SubCategory_DNP: Isoquinoline alkaloids, Aporphine alkaloids Roemerine, an aporphine alkaloid, isolated from the leaves of Fibraurea recisa Pierre, functions by interacting with P-glycoprotein. Roemerine reverses the multidrug-resistance phenotype with cultured cells[1]. Roemerine, an aporphine alkaloid, isolated from the leaves of Fibraurea recisa Pierre, functions by interacting with P-glycoprotein. Roemerine reverses the multidrug-resistance phenotype with cultured cells[1].
doxepin
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists CONFIDENCE standard compound; INTERNAL_ID 1532
oxamniquine
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent [Raw Data] CB143_Oxamniquine_pos_50eV_CB000053.txt [Raw Data] CB143_Oxamniquine_pos_40eV_CB000053.txt [Raw Data] CB143_Oxamniquine_pos_30eV_CB000053.txt [Raw Data] CB143_Oxamniquine_pos_20eV_CB000053.txt [Raw Data] CB143_Oxamniquine_pos_10eV_CB000053.txt
Etamiphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
MEX_280.1544_16.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 909
sibutramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Salinosporamide B
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-Methyl-4-(Methylthio)-2-Morpholinopropiophenone
C15H21NO2S (279.12929260000004)
CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7341; ORIGINAL_PRECURSOR_SCAN_NO 7339 CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7389; ORIGINAL_PRECURSOR_SCAN_NO 7385 CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7391; ORIGINAL_PRECURSOR_SCAN_NO 7389 CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7426; ORIGINAL_PRECURSOR_SCAN_NO 7424 CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7423; ORIGINAL_PRECURSOR_SCAN_NO 7421 CONFIDENCE standard compound; INTERNAL_ID 1386; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7431; ORIGINAL_PRECURSOR_SCAN_NO 7430
Kenine
Heptaphylline
A natural product found in Clausena harmandiana.
N-Vanillyl octanamide
C16H25NO3 (279.18343400000003)
Mukoenine C
Queryl
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-Methoxy-3-[3-(4-morpholinyl)propoxy]benzaldehyde
3-PIPERIDINONE, 1-METHYL-4-(2,4,6-TRIMETHOXYPHENYL)-
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
1-Carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
tert-butyl 4-(5-hydroxypyridin-2-yl)piperazine-1-carboxylate
1-BENZYL-5-(3-HYDROXYPHENYL)-2,3-DIHYDRO-4-PYRIDINONE
1-(5-Methoxy-2-Methyl-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
2-(2-Methoxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C14H22BNO4 (279.16418020000003)
3-AMINO-3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID
2-(4-methoxy-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6,7-DIETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID
2-Methyl-2-propanyl 5,6-dimethoxy-1-indolinecarboxylate
Glycine lauryl ester hydrochloride
C14H30ClNO2 (279.19649499999997)
(3R-CIS)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[ 2,1-B]OXAZOL-5(6H)-ONE
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-ol
(R)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(O-TOLYL)PROPANOIC ACID
3-(6-chloropyridin-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
1,1-diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-one
4-[(TERT-BUTOXYCARBONYL-METHYL-AMINO)-METHYL]-BENZOIC ACID METHYL ESTER
7-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one
N,9-Bis(trimethylsilyl)-9H-purin-6-amine
C11H21N5Si2 (279.13354260000006)
Isopropyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylate
C14H22BNO4 (279.16418020000003)
ethyl 2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetate
ETHYL 4-HYDROXY-4-(2-(HYDROXYMETHYL)PHENYL)PIPERIDINE-1-CARBOXYLATE
N,N-Di(3-buten-1-yl)-4-methylbenzenesulfonamide
C15H21NO2S (279.12929260000004)
2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)ACETONITRILE
3-(5-amino-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-one
3-(4-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)PHENYL)PROPANOIC ACID
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID
tert-butyl N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
C11H21NO7 (279.13179560000003)
N-(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
(S)-2-benzyl-3-(tert-butoxycarbonylamino)propanoic acid
3-[(tert-Butoxycarbonyl)amino]-4-phenylbutanoic acid
(5-amino-2,4-ditert-butylphenyl) methyl carbonate
C16H25NO3 (279.18343400000003)
Ramosetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, (1S)-
1-benzyl-4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine
5-(2-Methoxyethoxy)pyridine-3-boronic acid pinacol ester
C14H22BNO4 (279.16418020000003)
2-benzyl-2,3,3a,9b-tetrahydro-1h-5-oxa-2-aza-cyclopenta[a]naphthalen-4-one
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, hydrazide
Decyltrimethylammonium bromide
C13H30BrN (279.15614800000003)
D013501 - Surface-Active Agents
1-[2-(2-METHYLPHENOXY)ETHYL]-1H-INDOLE-3-CARBALDEHYDE
1,1,2,2,2-pentafluoroethanolate,trimethyl-(N,N,N-trimethylcarbamimidoyl)azanium
4-Methoxy-3-(3-(4-Methylpiperazin-1-yl)propoxy)aniline
benzyltriethylammonium tetrafluoroborate
C13H22BF4N (279.17813300000006)
Benzenebutanoicacid,-[[(1S)-1-carboxyethyl]amino]-,monoethylester,hydrochloride,(S)-(9CI)
TERT-BUTYL 3-(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
(3S)-(+)-3-(1-Methylindol-3-YL)-3-Phenylpropionic Acid
11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]iMidazo[1,2-a]azepine
4-Methyl-3-(3-Morpholinopropoxy)phenylboronic acid
C14H22BNO4 (279.16418020000003)
2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-[[[(1,1-DIMETHYLETHYL)OXY]CARBONYL]AMINO]-2-PHENYLBUTANOIC ACID
AMINO-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-ACETIC ACID
C16H25NO3 (279.18343400000003)
5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-bezimidazole
tert-Butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
(R)-tert-Butyl 2-(methylcarbamoyl)piperazine-1-carboxylate hydrochloride
3-(4-FLUOROPHENYL)-5-ISOPROPYL-2-PHENYL-1H-PYRROLE
3-(3-(((tert-butoxycarbonyl)amino)methyl)phenyl)propanoic acid
2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
N,N-Dimethyl-1-(6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)methanamine
tert-butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
(R)-2-Benzyl-3-(tert-Butoxycarbonylamino)propanoic acid
N-(2-METHOXYETHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
N,N-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-PROPANAMINE
(R)-N-CBZ-3,4-DIHYDRO-1H-ISOQUINOLINECARBOXYLICACID
Carbamic acid, N-(2,2-dimethoxyethyl)-N-2-propen-1-yl-, phenylmethyl ester
Tezampanel
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Fenpiprane
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Tert-Butyl [(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-5-Yl)methyl]carbamate
N-[(4-Hydroxy-3-methoxyphenyl)methyl]-6-methylheptanamide
C16H25NO3 (279.18343400000003)
1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
3-(4-(2-Propenyl)-1-piperazinyl)-2-quinoxalinecarbonitrile
Methyl 4,5-diphenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
(3AR,6R,6AS)-6-((S)-((S)-Cyclohex-2-enyl)(hydroxy)methyl)-6A-methyl-4-oxo-hexahydro-2H-furo[3,2-C]pyrrole-6-carbaldehyde
moxisylyte
C16H25NO3 (279.18343400000003)
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Verubulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
C16H25NO3 (279.18343400000003)
4-{[1-(2,6-Dimethylphenoxy)propan-2-yl]amino}-4-oxobutanoic acid
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
(2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoate
4-hydroxy-3-methoxy-N-octylbenzamide
C16H25NO3 (279.18343400000003)
{(2s)-7-Nitro-2-[(Propan-2-Ylamino)methyl]-1,2,3,4-Tetrahydroquinolin-6-Yl}methanol
N1-cyclohexyl-N2-cyclopropylpyrrolidine-1,2-dicarboxamide
2-[(1-Ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione
12(S)-HHTrE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HHTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-Azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
C15H21NO2S (279.12929260000004)
2-(4-Methyl-1-piperazinyl)-6-phenyl-4-pyrimidinecarbonitrile
N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C16H25NO3 (279.18343400000003)
(E)-N-(4-Methylpiperazin-1-yl)-1-(4-phenylphenyl)methanimine
1-(Tert-butylamino)-3-(2-tert-butylphenoxy)-2-propanol
6-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-alpha-D-mannopyranose
C11H21NO7 (279.13179560000003)
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-methylbenzoate
(E)-3-(4-acetylanilino)-1-(4-methylphenyl)prop-2-en-1-one
1-Methyl-3-para-methylbenzoyl-4-phenylpyrrolidine (3,4-trans)
Methyl 2,4-diphenyl-1-pyrroline-3-carboxylate(3,4-trans)
Methyl 3,5-diphenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
N-Methyl-N-trimethylsilylcarbamic acid 2-sec-butylphenyl ester
C15H25NO2Si (279.16544700000003)
tert-butyl N-[3-(dimethylcarbamoylamino)phenyl]carbamate
N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
C16H25NO3 (279.18343400000003)
juvenile hormone I carboxylate
A polyunsaturated fatty acid anion that is the conjugate base of juvenile hormone I carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(+/-)AMETHOPTERIN
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
2-phenylethyl 1H-indol-3-ylacetate
A carboxylic ester resulting from the formal condensation of the carboxy group of indole-3-acetic acid with the hydroxy group of 2-phenylethanol.
APX-115 (free base)
APX-115 free base (Ewha-18278 free base) is a potent, orally active pan NADPH oxidase (Nox) inhibitor with Ki values of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 free base effectively prevents kidney injury[1].